Research workbench

908R class C beta-lactamase bound to iodo-acetamido-phenyl boronic acid

Analyse 908R class C beta-lactamase bound to iodo-acetamido-phenyl boronic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1S6R
Type: protein
Length: 359 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: Q93CA2
Ligands: IAP
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase (EC 3.5.2.6)	protein	359	40% helix, 21% strand	Q93CA2

Ligands and binding sites

IAP · 4-iodo-acetamido phenylboronic acid · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	323	0.66	0.81	37	IAP
2	70	0.29	0.73	17	empty
3	52	0.26	0.73	19	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

1S6R · 908R class c beta-lactamase bound to iodo-acetamido-phenyl boronic acid · 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 Q93CA2
Elsewhere: RCSB PDB 1S6R · PDBe 1S6R · UniProt Q93CA2

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