MolNFT v1 · #182432 · protein

Crystal structure of class C beta lactamase from rhodobacter sphaeroides

7MQN · Beta-lactamase: “Crystal structure of class C beta lactamase from rhodobacter sphaeroides”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.74). MolNFT v1 #182432 on GenesisL1: 3D structure, binding sites and…

PDB: 7MQN
Type: protein
Length: 702 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: Q3IVS9
Ligands: PO4
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-lactamase (EC 3.5.2.6)	protein	351	41% helix, 20% strand	Q3IVS9

Ligands and binding sites

PO4 · Phosphate ion · ion · 6 copies · chains A, B

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

Pockets

3 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	544	0.74	0.82	64	PO4
2	371	0.71	0.83	48	PO4
3	118	0.69	0.91	27	empty

Interfaces

1 interface between chains.

A–B · 945 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

7MQN · Crystal structure of class C beta lactamase from Rhodobacter sphaeroides · 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 Q3IVS9
Elsewhere: RCSB PDB 7MQN · PDBe 7MQN · UniProt Q3IVS9

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