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Crystal structure of ABC transporter solute binding protein ARAD_9887 from agrobacterium radiobacter K84, target efi-510945 in complex with ribitol

Analyse Crystal structure of ABC transporter solute binding protein ARAD_9887 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5IAI
Type
protein
Length
399 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sugar ABC transporter
UniProt
B9JM84
Ligands
RB0
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASugar ABC transporterprotein39952% helix, 17% strandB9JM84

Ligands and binding sites

  • RB0 · D-ribitol · ligand · chains A
  • GOL · Glycerol · additive · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11770.570.8136RB0
2760.330.7518empty

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 5IAI · Crystal structure of ABC transporter Solute Binding Protein Arad_9887 from Agrobacterium… · the same entry in another collection · chain A against A, TM-score 1.00

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