MolNFT v1 · #123565 · protein

Crystal structure of the S61A mutant of ampc ber

5JOC · Beta-lactamase: “Crystal structure of the S61A mutant of ampc ber”. X-ray diffraction, 6 pockets (best druggability 0.67). MolNFT v1 #123565 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5JOC
Type: protein
Length: 699 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: A7TUE6
Pockets: 6 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase (EC 3.5.2.6)	protein	349	40% helix, 22% strand	A7TUE6
B	Beta-lactamase (EC 3.5.2.6)	protein	350	39% helix, 23% strand	A7TUE6

Ligands and binding sites

CIT · Citric acid · additive · 4 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	512	0.67	0.78	44	empty
2	382	0.59	0.76	49	CIT
3	319	0.57	0.76	38	empty
4	355	0.56	0.75	51	CIT
5	89	0.34	0.73	22	empty

Interfaces

1 interface between chains.

A–B · 481 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

5JOC · Crystal structure of the S61A mutant of AmpC BER · 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 A7TUE6
Elsewhere: RCSB PDB 5JOC · PDBe 5JOC · UniProt A7TUE6

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