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MolNFT v1 · #31717 · protein

Crystal structure of a bifunctional deaminase and reductase involved in riboflavin biosynthesis

2B3Z · Riboflavin biosynthesis protein ribd: “Crystal structure of a bifunctional deaminase and reductase involved in riboflavin biosynthesis”. X-ray diffraction, 1 ligand (ZN), 19 pockets (best druggability 0.73). MolNFT v1 #31717 on…

PDB
2B3Z
Type
protein
Length
1,437 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Riboflavin biosynthesis protein ribd
EC
3.5.4.26, 1.1.1.193
UniProt
P17618
Ligands
ZN
Pockets
19 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CRiboflavin biosynthesis protein ribd (EC 3.5.4.26, 1.1.1.193)protein35930% helix, 24% strandP17618
DRiboflavin biosynthesis protein ribd (EC 3.5.4.26, 1.1.1.193)protein36029% helix, 23% strandP17618

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15630.730.8152empty
25390.720.8150empty
35420.700.8055empty
45250.700.7955empty
53440.650.8033empty

Interfaces

4 interfaces between chains.

  • C–D · 2064 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 2048 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 1086 Ų buried · 13 hydrogen bonds · protein-protein
  • B–D · 1032 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 2B3Z · Crystal structure of a bifunctional deaminase and reductase involved in riboflavin… · the same entry in another collection · chain A against A, TM-score 1.00
  • P17618 · AlphaFold monomer V2.0 prediction for riboflavin biosynthesis protein ribd (P17618) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

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