Research workbench
Metallo-carboxypeptidase from pseudomonas aeruginosa in complex with (2-GUANIDINOETHYLMERCAPTO)SUCCINIC acid
Analyse Metallo-carboxypeptidase from pseudomonas aeruginosa in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4A39
- Type
- protein
- Length
- 750 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metallo-carboxypeptidase
- UniProt
- Q9I012
- Ligands
- GEM, ZN
- Pockets
- 7 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Metallo-carboxypeptidase | protein | 375 | 28% helix, 23% strand | Q9I012 |
Ligands and binding sites
- GEM · (2-guanidinoethylmercapto)succinic acid · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A, B
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 | 338 | 0.54 | 0.74 | 31 | empty |
| 2 | 211 | 0.54 | 0.78 | 36 | empty |
| 3 | 181 | 0.53 | 0.79 | 36 | ZN, GEM |
| 4 | 182 | 0.49 | 0.77 | 35 | empty |
| 5 | 90 | 0.37 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 703 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4A39 · Metallo-carboxypeptidase from Pseudomonas Aeruginosa in complex with… · 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 Q9I012
- Elsewhere: RCSB PDB 4A39 · PDBe 4A39 · UniProt Q9I012
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