MolNFT v1 · #85141 · protein

Metallo-carboxypeptidase from pseudomonas aureginosa in complex with L-benzylsuccinic acid

4A38: “Metallo-carboxypeptidase from pseudomonas aureginosa in complex with L-benzylsuccinic acid”. X-ray diffraction, 2 ligands (BZS, ZN), 8 pockets (best druggability 0.57). MolNFT v1 #85141 on GenesisL1: 3D structure, binding sites and…

PDB: 4A38
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: BZS, ZN
Pockets: 8 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Metallo-carboxypeptidase	protein	375	29% helix, 23% strand	Q9I012

Ligands and binding sites

BZS · L-benzylsuccinic 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

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	268	0.57	0.78	41	BZS
2	264	0.56	0.78	41	empty
3	393	0.56	0.74	35	empty
4	88	0.45	0.80	20	empty
5	83	0.33	0.74	21	empty

Interfaces

1 interface between chains.

A–B · 674 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4A38 · Metallo-carboxypeptidase from pseudomonas aureginosa in complex with L-benzylsuccinic acid · 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 4A38 · PDBe 4A38 · UniProt Q9I012

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.