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Crystal structure of an ABC transporter related protein from burkholderia phymatum

Analyse Crystal structure of an ABC transporter related protein from burkholderia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AABC transporter relatedprotein24637% helix, 27% strandB2JCQ1
BABC transporter relatedprotein25736% helix, 26% strandB2JCQ1

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11960.550.7938empty
21070.540.8319empty
31620.540.8031empty
4590.480.8522empty
51400.440.7620empty

Interfaces

1 interface between chains.

  • A–B · 672 Ų 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

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