MolNFT v1 · #122474 · protein

Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide

5IQ8 · Beta-lactamase tem: “Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide”. X-ray diffraction, 8 pockets (best druggability 0.76). MolNFT v1 #122474 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5IQ8
Type: protein
Length: 1,052 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase tem
EC: 3.5.2.6
UniProt: P62593
Pockets: 8 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Beta-lactamase tem (EC 3.5.2.6)	protein	263	45% helix, 17% strand	P62593

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	1083	0.76	0.78	90	empty
2	823	0.75	0.79	73	empty
3	345	0.55	0.75	42	empty
4	124	0.43	0.77	25	empty
5	65	0.41	0.81	17	empty

Interfaces

5 interfaces between chains.

A–B · 712 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 480 Å² buried · 8 hydrogen bonds · protein-protein
B–D · 239 Å² buried · 1 hydrogen bond · protein-protein
A–C · 223 Å² buried · 1 hydrogen bond · protein-protein
A–D · 54 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

5IQ8 · Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide · the same entry in another collection · chain D against D, TM-score 1.00
P62593 · AlphaFold monomer V2.0 prediction for beta-lactamase tem (P62593) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P62593
Elsewhere: RCSB PDB 5IQ8 · PDBe 5IQ8 · UniProt P62593

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