Research workbench

1B lactamse/ B lactamase inhibitor

Analyse 1B lactamse/ B lactamase inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1S0W
Type: protein
Length: 856 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase tem; Beta-lactamase inhibitory protein
UniProt: P00810, P35804
Ligands: CA
Pockets: 7 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-lactamase tem	protein	263	46% helix, 18% strand	P00810
C, D	Beta-lactamase inhibitory protein	protein	165	20% helix, 36% strand	P35804

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains C, D

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

Pockets

7 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	240	0.69	0.85	42	empty
2	166	0.68	0.88	29	empty
3	111	0.56	0.85	23	empty
4	142	0.55	0.82	23	empty
5	51	0.38	0.81	13	empty

Interfaces

2 interfaces between chains.

A–C · 1255 Å² buried · 16 hydrogen bonds · protein-protein
B–D · 1211 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

1S0W · 1b Lactamse/ b Lactamase Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
P35804 · AlphaFold monomer V2.0 prediction for beta-lactamase inhibitory protein (P35804) · a predicted model of the same protein · chain C 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 P00810
Every structure of UniProt P35804
Elsewhere: RCSB PDB 1S0W · PDBe 1S0W · UniProt P00810 · UniProt P35804

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