MolNFT v1 · #141649 · protein
Carboxypeptidase B in complex with DD28
5ZEQ: “Carboxypeptidase B in complex with DD28”. X-ray diffraction, 2 ligands (9B3, ZN), 1 pocket (best druggability 0.63). MolNFT v1 #141649 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ZEQ
- Type
- protein
- Length
- 304 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxypeptidase B
- EC
- 3.4.17.2
- UniProt
- P09955
- Ligands
- 9B3, ZN
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxypeptidase B (EC 3.4.17.2) | protein | 304 | 39% helix, 17% strand | P09955 |
Ligands and binding sites
- 9B3 · (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid · ligand · chains A
- ZN · Zinc ion · metal · 7 copies · chains A
- CAC · Cacodylate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.63 | 0.91 | 22 | ZN, 9B3, CAC |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 P09955
- Elsewhere: RCSB PDB 5ZEQ · PDBe 5ZEQ · UniProt P09955
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