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MolNFT v1 · #9183 · protein

Crystal structure of pyridoxine 5'-phosphate synthase

1HO1: “Crystal structure of pyridoxine 5'-phosphate synthase”. X-ray diffraction, 9 pockets (best druggability 0.53). MolNFT v1 #9183 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1HO1
Type
protein
Length
954 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pyridoxine 5'-phosphate synthase
UniProt
P0A794
Pockets
9 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPyridoxine 5'-phosphate synthaseprotein23549% helix, 17% strandP0A794
C, DPyridoxine 5'-phosphate synthaseprotein24248% helix, 17% strandP0A794

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11630.530.7927empty
21720.530.7923empty
31710.520.7925empty
41670.520.7925empty
51670.440.7422empty

Interfaces

2 interfaces between chains.

  • A–C · 585 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 575 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 1HO1 · Crystal structure of pyridoxine 5'-phosphate synthase · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A794 · AlphaFold monomer V2.0 prediction for pyridoxine 5'-phosphate synthase (P0A794) · a predicted model of the same protein · chain C against A, TM-score 0.99

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