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MolNFT v1 · #111844 · protein

Crystal structure of 2-hydroxybiphenyl 3-monooxygenase from pseudomonas azelaica

4Z2R · 2-hydroxybiphenyl-3-monooxygenase: “Crystal structure of 2-hydroxybiphenyl 3-monooxygenase from pseudomonas azelaica”. X-ray diffraction, 1 ligand (FAD), 12 pockets (best druggability 0.80). MolNFT v1 #111844 on GenesisL1: 3D…

PDB
4Z2R
Type
protein
Length
1,129 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2-hydroxybiphenyl-3-monooxygenase
UniProt
O06647
Ligands
FAD
Pockets
12 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2-hydroxybiphenyl-3-monooxygenaseprotein56636% helix, 22% strandO06647
B2-hydroxybiphenyl-3-monooxygenaseprotein56336% helix, 23% strandO06647

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110180.800.8287FAD
29320.800.8297empty
39640.790.8192FAD
41910.530.7833empty
5940.450.8020empty

Interfaces

1 interface between chains.

  • A–B · 464 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 4Z2R · Crystal structure of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica · the same entry in another collection · chain A against A, TM-score 1.00

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