MolNFT v1 · #107079 · protein

Structure of metallo-beta-lactamase

4TZ9 · Class B metallo-beta-lactamase: “Structure of metallo-beta-lactamase”. X-ray diffraction, 4 ligands (NI, ZN, CO), 1 pocket (best druggability 0.39). MolNFT v1 #107079 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4TZ9
Type: protein
Length: 231 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Class B metallo-beta-lactamase
UniProt: I3VKD5
Ligands: NI, ZN, CO, CD
Pockets: 1 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Class B metallo-beta-lactamase	protein	231	24% helix, 31% strand	I3VKD5

Ligands and binding sites

NI · Nickel (II) ion · metal · 4 copies · chains A
ZN · Zinc ion · metal · chains A
CO · Cobalt (II) ion · metal · chains A
CD · Cadmium ion · metal · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	118	0.39	0.75	24	CD

Compared structures

4TZ9 · Structure of Metallo-beta-lactamase · 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 I3VKD5
Elsewhere: RCSB PDB 4TZ9 · PDBe 4TZ9 · UniProt I3VKD5

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