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Structural and biochemical characterization of CLFB:LIGAND interactions

Analyse Structural and biochemical characterization of CLFB:LIGAND interactions in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3AU0
Type: protein
Length: 339 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Clumping factor B
UniProt: Q7A382
Ligands: MG
Pockets: 2 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Clumping factor B	protein	339	5% helix, 44% strand	Q7A382

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	271	0.58	0.78	34	empty
2	231	0.52	0.76	34	empty

Compared structures

3AU0 · Structural and biochemical characterization of ClfB:ligand interactions · the same entry in another collection · chain A against A, TM-score 1.00
Q7A382 · AlphaFold monomer V2.0 prediction for clumping factor B (Q7A382) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 Q7A382
Elsewhere: RCSB PDB 3AU0 · PDBe 3AU0 · UniProt Q7A382

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