MolNFT v1 · #108597 · protein

Crystal structure of an ABC transporter related protein from burkholderia phymatum

4WBS: “Crystal structure of an ABC transporter related protein from burkholderia phymatum”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.55). MolNFT v1 #108597 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4WBS
Type: protein
Length: 503 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ABC transporter related
UniProt: B2JCQ1
Ligands: CL
Pockets: 6 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ABC transporter related	protein	246	37% helix, 27% strand	B2JCQ1
B	ABC transporter related	protein	257	36% helix, 26% strand	B2JCQ1

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	196	0.55	0.79	38	empty
2	107	0.54	0.83	19	empty
3	162	0.54	0.80	31	empty
4	59	0.48	0.85	22	empty
5	140	0.44	0.76	20	empty

Interfaces

1 interface between chains.

A–B · 672 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4WBS · Crystal structure of an ABC transporter related protein from Burkholderia phymatum · 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 B2JCQ1
Elsewhere: RCSB PDB 4WBS · PDBe 4WBS · UniProt B2JCQ1

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