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Crystal structure of bira from S. aureus in complex with a acylsulfamide analogue of biotinyl-5'-AMP

Analyse Crystal structure of bira from S. aureus in complex with a acylsulfamide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6ORU
Type: protein
Length: 322 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bifunctional LIGASE/REPRESSOR bira
EC: 6.3.4.15
UniProt: A0A3A5LBF0
Ligands: N3G
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bifunctional LIGASE/REPRESSOR bira (EC 6.3.4.15)	protein	322	34% helix, 30% strand	A0A3A5LBF0

Ligands and binding sites

N3G · N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3AS, 4s,6ar)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide · ligand · chains A

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

Pockets

2 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	333	0.70	0.84	42	N3G
2	125	0.48	0.79	22	empty

Compared structures

6ORU · Crystal structure of Bira from S. aureus in complex with a acylsulfamide analogue of… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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Every structure of UniProt A0A3A5LBF0
Elsewhere: RCSB PDB 6ORU · PDBe 6ORU · UniProt A0A3A5LBF0

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