MolNFT v1 · #114153 · protein

Crystal structure of metallo-beta-lactamase imp-18 from pseudomonas aeruginosa

5B3R: “Crystal structure of metallo-beta-lactamase imp-18 from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.51). MolNFT v1 #114153 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5B3R
Type: protein
Length: 433 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Imp-18
EC: 3.5.2.6
UniProt: Q5U807
Ligands: ZN
Pockets: 4 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Imp-18 (EC 3.5.2.6)	protein	214	28% helix, 30% strand	Q5U807
B	Imp-18 (EC 3.5.2.6)	protein	219	27% helix, 32% strand	Q5U807

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B
CIT · Citric acid · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	180	0.51	0.77	32	empty
2	269	0.49	0.73	32	empty
3	190	0.46	0.74	33	ZN, CIT
4	75	0.29	0.73	18	CIT

Interfaces

1 interface between chains.

A–B · 409 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

5B3R · Crystal structure of metallo-beta-lactamase IMP-18 from Pseudomonas aeruginosa · 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 Q5U807
Elsewhere: RCSB PDB 5B3R · PDBe 5B3R · UniProt Q5U807

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