Research workbench
Refined crystal structure of the potato inhibitor complex of carboxypeptidase a at 2.5 ångströms resolution
Analyse Refined crystal structure of the potato inhibitor complex of carboxypeptidase a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CPA
- Type
- protein
- Length
- 688 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxypeptidase a; Metallocarboxypeptidase inhibitor
- EC
- 3.4.17.1
- UniProt
- P00730, P01075
- Ligands
- GLY, ZN
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carboxypeptidase a (EC 3.4.17.1) | protein | 307 | 38% helix, 17% strand | P00730 |
| I, J | Metallocarboxypeptidase inhibitor | protein | 37 | 0% helix, 19% strand | P01075 |
Ligands and binding sites
- GLY · Glycine · ligand · 2 copies · chains A, I, B, J
- ZN · Zinc ion · metal · 2 copies · chains A, I, B, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 259 | 0.81 | 0.92 | 37 | empty |
| 2 | 54 | 0.73 | 0.99 | 17 | GLY |
| 3 | 54 | 0.72 | 0.99 | 16 | GLY |
| 4 | 106 | 0.41 | 0.76 | 22 | empty |
| 5 | 78 | 0.36 | 0.76 | 17 | empty |
Interfaces
6 interfaces between chains.
- B–J · 613 Ų buried · 10 hydrogen bonds · protein-protein
- A–I · 612 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 542 Ų buried · 6 hydrogen bonds · protein-protein
- I–J · 390 Ų buried · 4 hydrogen bonds · protein-protein
- I–B · 218 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4CPA · Refined crystal structure of the potato inhibitor complex of carboxypeptidase a at 2.5… · the same entry in another collection · chain A against A, TM-score 1.00
- P00730 · AlphaFold monomer V2.0 prediction for carboxypeptidase A1 (P00730) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P01075 · AlphaFold monomer V2.0 prediction for metallocarboxypeptidase inhibitor (P01075) · a predicted model of the same protein · chain J against A, TM-score 0.84
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P00730
- Every structure of UniProt P01075
- Elsewhere: RCSB PDB 4CPA · PDBe 4CPA · UniProt P00730 · UniProt P01075
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