MolNFT v1 · #143098 · protein

Crystal structure of TEM1 beta-lactamase mutant I263A

6APA · Beta-lactamase tem: “Crystal structure of TEM1 beta-lactamase mutant I263A”. X-ray diffraction, 10 pockets (best druggability 0.75). MolNFT v1 #143098 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6APA
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: 10 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Beta-lactamase tem (EC 3.5.2.6)	protein	263	43% helix, 18% strand	P62593

Pockets

10 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	912	0.75	0.79	75	empty
2	1083	0.74	0.77	84	empty
3	332	0.56	0.75	35	empty
4	207	0.54	0.79	26	empty
5	206	0.45	0.73	29	empty

Interfaces

5 interfaces between chains.

A–B · 677 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 494 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 201 Å² buried · 1 hydrogen bond · protein-protein
B–D · 189 Å² buried · 1 hydrogen bond · protein-protein
A–D · 82 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6APA · Crystal structure of TEM1 beta-lactamase mutant I263A · the same entry in another collection · chain B against B, TM-score 1.00
P62593 · AlphaFold monomer V2.0 prediction for beta-lactamase tem (P62593) · a predicted model of the same protein · chain B 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 P62593
Elsewhere: RCSB PDB 6APA · PDBe 6APA · UniProt P62593

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