Subtilisin-chymotrypsin inhibitor-2A
UniProt P01053 · Hordeum vulgare · 84 residues
37evidence items
37mapped to a state
2states
5techniques
4sources
0conflicts
Coverage grid
Mapped evidence per state and technique. Shaded rows rest on a single technique. Badge = best data level in the cell: raw (traces, images, FIDs: can be re-analysed), proc (maps, curves, tables, trajectories) or rep (values in the paper only).
| State | Basis | xray | nmr_structure | nmr_shifts | af_prediction | md | Total |
|---|---|---|---|---|---|---|---|
| native fold CI2-native | observed | proc 22 | proc 4 | proc 5 | proc 1 | proc 5 | 37 |
| unfolded CI2-unfolded | inferred | · | · | · | · | · | 0 |
Unmapped evidence: 0 of 37 items. Mappings come from curator assignments and curated rules; see About for how rules work.
Sources
| Source | Evidence | Mapped |
|---|---|---|
| AlphaFold DB | 1 | 1 |
| BMRB | 5 | 5 |
| MDDB | 5 | 5 |
| RCSB PDB | 26 | 26 |
Curated rules applied
ci2-af-native: 1 itemsci2-md-native: 5 itemsci2-nmr-shifts-native: 5 itemsci2-structures-native: 25 items
Structure
Choose a state. Each model is badged observed or inferred; assumptions are one click away.
States and transitions
| State | Basis | Parent | Description |
|---|---|---|---|
| native fold CI2-native | observed | — | Native fold of CI2, as in 2CI2. A classic two-state folder. |
| unfolded CI2-unfolded | inferred | — | Unfolded ensemble reached by denaturant, temperature or force. No observed structure.Assumptions (2)
|
No transitions recorded in this version (no rate or free-energy evidence has been curated yet).
Evidence
One row per deposit or experiment. Filter by technique, environment or text. Unmapped evidence is listed too.
| Evidence | Technique | Observable | Conditions | Mapped to state |
|---|---|---|---|---|
| EV-PDB-1CIQ-2 RCSB PDB | xray | resolution: 2.2 Å | in vitro COMPLEX OF TWO FRAGMENTS OF CI2, RESIDUES 1-40 AND 41-64 · CHYMOTRYPSIN INHIBITOR 2 (chains B) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1CIQ-1 RCSB PDB | xray | resolution: 2.2 Å | in vitro COMPLEX OF TWO FRAGMENTS OF CI2, RESIDUES 1-40 AND 41-64 · CHYMOTRYPSIN INHIBITOR 2 (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1CIR-2 RCSB PDB | nmr_structure | structure | in vitro COMPLEX OF TWO FRAGMENTS OF CI2 [(1-40)(DOT)(41-64)] · CHYMOTRYPSIN INHIBITOR 2 (chains B) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1CIR-1 RCSB PDB | nmr_structure | structure | in vitro COMPLEX OF TWO FRAGMENTS OF CI2 [(1-40)(DOT)(41-64)] · CHYMOTRYPSIN INHIBITOR 2 (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1CIS-1 RCSB PDB | nmr_structure | structure | in vitro CONTEXT DEPENDENCE OF PROTEIN SECONDARY STRUCTURE FORMATION. THE THREE-DIMENSIONAL STRUCTURE AND STABILITY OF A HYBRID BETWEEN CHYMOTRYPSIN INHIBITOR 2 AND HELIX E FROM SUBTILISIN CARLSBERG · HYBRID PROTEIN FORMED FROM CHYMOTRYPSIN INHIBITOR-2 (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1CQ4-2 RCSB PDB | xray | resolution: 1.8 Å | in vitro · -173.15 °C · pH 7.5 · ligands SO4 CI2 MUTANT WITH TETRAGLUTAMINE (MGQQQQGM) REPLACING MET59 · PROTEIN (SERINE PROTEINASE INHIBITOR 2) (chains B) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1CQ4-1 RCSB PDB | xray | resolution: 1.8 Å | in vitro · -173.15 °C · pH 7.5 · ligands SO4 CI2 MUTANT WITH TETRAGLUTAMINE (MGQQQQGM) REPLACING MET59 · PROTEIN (SERINE PROTEINASE INHIBITOR 2) (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1LW6-2 RCSB PDB | xray | resolution: 1.5 Å | in vitro · -173.15 °C · pH 6.5 · ligands CA, SO4 Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5 Angstrom Resolution · SUBTILISIN-CHYMOTRYPSIN INHIBITOR-2A (chains I) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1YPC-1 RCSB PDB | xray | resolution: 1.7 Å | in vitro DIRECT OBSERVATION OF BETTER HYDRATION AT THE N-TERMINUS OF AN ALPHA-HELIX WITH GLYCINE RATHER THAN ALANINE AS N-CAP · CHYMOTRYPSIN INHIBITOR 2 (chains I) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-2CI2-1 RCSB PDB | xray | resolution: 2 Å | in vitro CRYSTAL AND MOLECULAR STRUCTURE OF THE SERINE PROTEINASE INHIBITOR CI-2 FROM BARLEY SEEDS · CHYMOTRYPSIN INHIBITOR 2 (chains I) | native fold · curator:draft (unreviewed) · high Representative native structure; title and UniProt mapping checked against RCSB. |
| EV-PDB-2SNI-2 RCSB PDB | xray | resolution: 2.1 Å | in vitro · ligands CA STRUCTURAL COMPARISON OF TWO SERINE PROTEINASE-PROTEIN INHIBITOR COMPLEXES. EGLIN-C-SUBTILISIN CARLSBERG AND CI-2-SUBTILISIN NOVO · CHYMOTRYPSIN INHIBITOR 2 (chains I) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-31VH-2 RCSB PDB | xray | resolution: 1.05 Å | in vitro · 3.85 °C · pH 6 · ligands CA, CL, NA Alcalase/CI-2A complex at 277K · Subtilisin-chymotrypsin inhibitor-2A (chains B) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-31VI-2 RCSB PDB | xray | resolution: 0.74 Å | in vitro · -173.15 °C · pH 7 · ligands CA, CL, GOL, NA Alcalase/CI-2A complex at 100K · Subtilisin-chymotrypsin inhibitor-2A (chains B) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-31VJ-2 RCSB PDB | xray | resolution: 0.74 Å | in vitro · -173.15 °C · pH 7 · ligands CA, CL, GOL, NA Alcalase/CI-2A(M59P) complex at 100K · Subtilisin-chymotrypsin inhibitor-2A (chains B) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-3CI2-1 RCSB PDB | nmr_structure | structure | in vitro REFINEMENT OF THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF BARLEY SERINE PROTEINASE INHIBITOR 2 AND COMPARISON WITH THE STRUCTURES IN CRYSTALS · CHYMOTRYPSIN INHIBITOR 2 (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-5FBZ-2 RCSB PDB | xray | resolution: 1.9 Å | in vitro · -153.15 °C · pH 7.5 · ligands CA Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A · Subtilisin-chymotrypsin inhibitor-2A (chains B,D) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-6QIY-1 RCSB PDB | xray | resolution: 1.5 Å | in vitro · -173.15 °C · pH 8.5 CI-2, conformation 1 · Subtilisin-chymotrypsin inhibitor-2A (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-6QIZ-1 RCSB PDB | xray | resolution: 1.65 Å | in vitro · -173.15 °C · pH 8.5 CI-2, conformation 2 · Subtilisin-chymotrypsin inhibitor-2A (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-7A3M-1 RCSB PDB | xray | resolution: 1.01 Å | in vitro · -153.15 °C Synergistic stabilization of a double mutant in CI2 from an in-cell library screen · Subtilisin-chymotrypsin inhibitor-2A (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-7AOK-1 RCSB PDB | xray | resolution: 1.87 Å | in vitro · -153.15 °C · pH 8 · ligands SO4 Crystal structure of CI2 mutant L49I · Subtilisin-chymotrypsin inhibitor-2A (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-7AON-1 RCSB PDB | xray | resolution: 1.3 Å | in vitro · -153.15 °C · pH 8 · ligands GOL, SO4 Crystal structure of CI2 double mutant L49I,I57V · Subtilisin-chymotrypsin inhibitor-2A (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-7A1H-1 RCSB PDB | xray | resolution: 1.9 Å | in vitro · -173.15 °C · pH 8 · ligands SO4 Crystal structure of wild-type CI2 · Subtilisin-chymotrypsin inhibitor-2A (chains A) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-5FFN-2 RCSB PDB | xray | resolution: 1.8 Å | in vitro · -153.15 °C · pH 6.5 · ligands CA, NA Complex of subtilase SubTY from Bacillus sp. TY145 with chymotrypsin inhibitor CI2A · Subtilisin-chymotrypsin inhibitor-2A (chains I) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1YPB-1 RCSB PDB | xray | resolution: 2 Å | in vitro DIRECT OBSERVATION OF BETTER HYDRATION AT THE N-TERMINUS OF AN ALPHA-HELIX WITH GLYCINE RATHER THAN ALANINE AS N-CAP · CHYMOTRYPSIN INHIBITOR 2 (chains I) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1YPA-1 RCSB PDB | xray | resolution: 2 Å | in vitro DIRECT OBSERVATION OF BETTER HYDRATION AT THE N-TERMINUS OF AN ALPHA-HELIX WITH GLYCINE RATHER THAN ALANINE AS N-CAP · CHYMOTRYPSIN INHIBITOR 2 (chains I) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-PDB-1COA-1 RCSB PDB | xray | resolution: 2.2 Å | in vitro THE EFFECT OF CAVITY CREATING MUTATIONS IN THE HYDROPHOBIC CORE OF CHYMOTRYPSIN INHIBITOR 2 · CHYMOTRYPSIN INHIBITOR 2 (chains I) | native fold · rule:ci2-structures-native · medium Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise. |
| EV-BMRB-1869 BMRB | nmr_shifts | chemical_shift | in vitro · 41.85 °C · pH 4.2 Sequence specific assignment of the proton nuclear magnetic resonance spectrum of barley serine proteinase inhibitor 2 · BMRB data: 1H chemical shifts | native fold · rule:ci2-nmr-shifts-native · low Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so. |
| EV-BMRB-1870 BMRB | nmr_shifts | chemical_shift | in vitro · 41.85 °C · pH 4.2 Sequence specific assignment of the proton nuclear magnetic resonance spectrum of barley serine proteinase inhibitor 2 · BMRB data: 1H chemical shifts | native fold · rule:ci2-nmr-shifts-native · low Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so. |
| EV-BMRB-1871 BMRB | nmr_shifts | chemical_shift | in vitro · 41.85 °C · pH 4.2 Sequence specific assignment of the proton nuclear magnetic resonance spectrum of barley serine proteinase inhibitor 2 · BMRB data: 1H chemical shifts | native fold · rule:ci2-nmr-shifts-native · low Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so. |
| EV-BMRB-1872 BMRB | nmr_shifts | chemical_shift | in vitro · 41.85 °C · pH 4.2 Sequence specific assignment of the proton nuclear magnetic resonance spectrum of barley serine proteinase inhibitor 2 · BMRB data: 1H chemical shifts | native fold · rule:ci2-nmr-shifts-native · low Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so. |
| EV-BMRB-4974 BMRB | nmr_shifts | chemical_shift | in vitro · 29.85 °C · pH 4.6 Rapid Protein fold Determination using Secondary Chemical Shifts and Cross- hydrogen bond 15N-13C' Scalar Couplings (3hbJNC') · BMRB data: 1H chemical shifts, 13C chemical shifts, 15N chemical shifts | native fold · rule:ci2-nmr-shifts-native · low Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so. |
| EV-AFDB-AF-P01053-F1 AlphaFold DB | af_prediction | plddt: 85.25 pLDDT | in silico AlphaFold DB prediction AF-P01053-F1 · AlphaFold Monomer v2.0 pipeline, residues 1-84 | native fold · rule:ci2-af-native · low AlphaFold prediction of the native fold (prediction, not a measurement). |
| EV-MDDB-A007V MDDB | md | trajectory: 10 ns | in silico · 26.85 °C MoDEL 1CIS · start 1CIS; Amber Parm99 | native fold · rule:ci2-md-native · low Simulation started from a native structure (prediction). |
| EV-MDDB-A0080 MDDB | md | trajectory: 10 ns | in silico · 26.85 °C MoDEL 2CI2 · start 2CI2; Amber Parm99 | native fold · rule:ci2-md-native · low Simulation started from a native structure (prediction). |
| EV-MDDB-A0089 MDDB | md | trajectory: 10 ns | in silico · 26.85 °C MoDEL 3CI2 · start 3CI2; Amber Parm99 | native fold · rule:ci2-md-native · low Simulation started from a native structure (prediction). |
| EV-MDDB-A010J MDDB | md | trajectory: 10 ns | in silico · 26.85 °C MoDEL 2SNI · start 2SNI; Amber Parm99 | native fold · rule:ci2-md-native · low Simulation started from a native structure (prediction). |
| EV-MDDB-A0110 MDDB | md | trajectory: 10 ns | in silico · 26.85 °C MoDEL 1YPA · start 1YPA; Amber Parm99 | native fold · rule:ci2-md-native · low Simulation started from a native structure (prediction). |
Conflicts
No conflicts found among comparable evidence.
37 evidence items could not be compared: they lack a comparable observable type, a value, or an uncertainty. Absence of a conflict here is not agreement.
Downloads
- Protein bundle (JSON)
- CI2-native-cif (mmCIF, observed)
- CI2-native-pdb (PDB, observed)
- Curation file (YAML)