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MolNFT v1 · #100360 · protein

Crystal structure of biotin carboxylase from haemophilus influenzae in complex with phosphonoacetamide

4MV6: “Crystal structure of biotin carboxylase from haemophilus influenzae in complex with phosphonoacetamide”. X-ray diffraction, 1 ligand (PCT), 1 pocket (best druggability 0.61). MolNFT v1 #100360 on GenesisL1: 3D structure, binding…

PDB
4MV6
Type
protein
Length
412 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Biotin carboxylase
EC
6.3.4.14, 6.4.1.2
UniProt
P43873
Ligands
PCT
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABiotin carboxylase (EC 6.3.4.14, 6.4.1.2)protein41235% helix, 27% strandP43873

Ligands and binding sites

  • PCT · Phosphonoacetamide · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14240.610.7650PCT

Compared structures

  • 4MV6 · Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P43873 · AlphaFold monomer V2.0 prediction for biotin carboxylase (P43873) · a predicted model of the same protein · chain A against A, TM-score 0.99

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