MolNFT v1 · #177700 · protein
Crystal structure of an aedes aegypti procarboxypeptidase B1
7EQX: “Crystal structure of an aedes aegypti procarboxypeptidase B1”. X-ray diffraction, 1 ligand (ZN), 7 pockets (best druggability 0.83). MolNFT v1 #177700 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7EQX
- Type
- protein
- Length
- 758 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxypeptidase B
- EC
- 3.4.17.2
- UniProt
- Q6J661
- Ligands
- ZN
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carboxypeptidase B (EC 3.4.17.2) | protein | 80 | 33% helix, 24% strand | Q6J661 |
| C, D | Carboxypeptidase B (EC 3.4.17.2) | protein | 299 | 38% helix, 20% strand | Q6J661 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 241 | 0.83 | 0.95 | 40 | empty |
| 2 | 319 | 0.82 | 0.93 | 43 | empty |
| 3 | 86 | 0.73 | 0.96 | 26 | empty |
| 4 | 105 | 0.66 | 0.90 | 31 | empty |
| 5 | 212 | 0.55 | 0.78 | 37 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1000 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 973 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 540 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 349 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 327 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7EQX · Crystal structure of an Aedes aegypti procarboxypeptidase B1 · the same entry in another collection · 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 Q6J661
- Elsewhere: RCSB PDB 7EQX · PDBe 7EQX · UniProt Q6J661
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.