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MolNFT v1 · #153547 · protein

Crystal structure of biotin protein ligase from leishmania major in complex with biotinyl-5-AMP

6JHU · BIOTIN/LIPOATE protein ligase-like protein: “Crystal structure of biotin protein ligase from leishmania major in complex with biotinyl-5-AMP”. X-ray diffraction, 2 ligands (BT5, SO4), 3 pockets (best druggability 0.68). MolNFT v1…

PDB
6JHU
Type
protein
Length
247 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BIOTIN/LIPOATE protein ligase-like protein
EC
6.3.4.15
UniProt
Q4Q6F6
Ligands
BT5, SO4
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABIOTIN/LIPOATE protein ligase-like protein (EC 6.3.4.15)protein24730% helix, 27% strandQ4Q6F6

Ligands and binding sites

  • BT5 · Biotinyl-5-amp · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11020.680.9120empty
23760.680.8142BT5, SO4
3930.320.7219empty

Compared structures

  • 6JHU · Crystal Structure Of Biotin Protein Ligase From Leishmania Major in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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