GL1X · GenesisL1 explorer

MolNFT v1 · #46642 · protein

Apo rebh from lechevalieria aerocolonigenes

2OAM · Tryptophan halogenase: “Apo rebh from lechevalieria aerocolonigenes”. X-ray diffraction, 9 pockets (best druggability 0.82). MolNFT v1 #46642 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2OAM
Type
protein
Length
1,047 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tryptophan halogenase
UniProt
Q8KHZ8
Pockets
9 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATryptophan halogenaseprotein52340% helix, 21% strandQ8KHZ8
BTryptophan halogenaseprotein52438% helix, 21% strandQ8KHZ8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19690.820.84116empty
24480.790.8769empty
38120.770.8169empty
47460.760.8166empty
51510.450.7622empty

Interfaces

1 interface between chains.

  • A–B · 1542 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 2OAM · Apo RebH from Lechevalieria aerocolonigenes · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8KHZ8 · AlphaFold monomer V2.0 prediction for flavin-dependent tryptophan halogenase rebh (Q8KHZ8) · a predicted model of the same protein · chain B against A, TM-score 0.99

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