MolNFT v1 · #191215 · protein
Comparison of the structures of three carboxypeptidase a- phosphonate complexes determined by X-ray crystallography
8CPA: “Comparison of the structures of three carboxypeptidase a- phosphonate complexes determined by X-ray…”. X-ray diffraction, 2 ligands (AGF, ZN), 2 pockets (best druggability 0.61). MolNFT v1 #191215 on GenesisL1: 3D structure, binding…
- PDB
- 8CPA
- Type
- protein
- Length
- 307 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxypeptidase a
- EC
- 3.4.17.1
- UniProt
- P00730
- Ligands
- AGF, ZN
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxypeptidase a (EC 3.4.17.1) | protein | 307 | 37% helix, 18% strand | P00730 |
Ligands and binding sites
- AGF · O-(((1R)-((N-(phenyl-methoxy-carbonyl)-alanyl)-amino) methyl)hydroxyphosphinyl)3-L-phenyllactate · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.61 | 0.89 | 25 | AGF |
| 2 | 55 | 0.31 | 0.76 | 15 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 8CPA · Comparison of the structures of three carboxypeptidase a-phosphonate complexes determined… · 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 A against A, TM-score 1.00
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
- Elsewhere: RCSB PDB 8CPA · PDBe 8CPA · UniProt P00730
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