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MolNFT v1 · #153275 · protein

Crystal structure of CYP97A3

6J94 · Protein lutein deficient 5, chloroplastic: “Crystal structure of CYP97A3”. X-ray diffraction, 1 ligand (HEM), 11 pockets (best druggability 0.84). MolNFT v1 #153275 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6J94
Type
protein
Length
914 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein lutein deficient 5, chloroplastic
EC
1.14.-.-
UniProt
Q93VK5
Ligands
HEM
Pockets
11 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein lutein deficient 5, chloroplastic (EC 1.14.-.-)protein45753% helix, 12% strandQ93VK5
BProtein lutein deficient 5, chloroplastic (EC 1.14.-.-)protein45754% helix, 12% strandQ93VK5

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B

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

Pockets

11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111040.840.8488HEM
211030.830.8491HEM
33840.610.7753empty
42270.540.7728empty
51700.530.7926empty

Interfaces

1 interface between chains.

  • A–B · 1479 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6J94 · Crystal structure of CYP97A3 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q93VK5 · AlphaFold monomer V2.0 prediction for protein lutein deficient 5, chloroplastic (Q93VK5) · a predicted model of the same protein · chain B against A, TM-score 0.96

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