MolNFT v1 · #76024 · protein

Cbap-acylated BLAR1 sensor domain from staphylococcus aureus

3Q7Z · Beta-lactamase regulatory protein BLAR1: “Cbap-acylated BLAR1 sensor domain from staphylococcus aureus”. X-ray diffraction, 1 ligand (BOU), 1 pocket (best druggability 0.77). MolNFT v1 #76024 on GenesisL1: 3D structure, binding…

PDB: 3Q7Z
Type: protein
Length: 504 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase regulatory protein BLAR1
UniProt: Q7WU28
Ligands: BOU
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-lactamase regulatory protein BLAR1	protein	252	37% helix, 26% strand	Q7WU28

Ligands and binding sites

BOU · (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1065	0.77	0.80	115	BOU

Interfaces

1 interface between chains.

A–B · 612 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

3Q7Z · CBAP-acylated BlaR1 sensor domain from Staphylococcus aureus · 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 Q7WU28
Elsewhere: RCSB PDB 3Q7Z · PDBe 3Q7Z · UniProt Q7WU28

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