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MolNFT v1 · #144889 · protein

Crystal structure of D477G ACO/RPE65 chimera, monoclinic crystal form

6C7P · Apocarotenoid-15,15'-oxygenase: “Crystal structure of D477G ACO/RPE65 chimera, monoclinic crystal form”. X-ray diffraction, 1 ligand (FE2), 6 pockets (best druggability 0.86). MolNFT v1 #144889 on GenesisL1: 3D structure, binding…

PDB
6C7P
Type
protein
Length
950 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apocarotenoid-15,15'-oxygenase
EC
1.13.11.75
UniProt
P74334
Ligands
FE2
Pockets
6 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BApocarotenoid-15,15'-oxygenase (EC 1.13.11.75)protein4747% helix, 42% strandP74334
AApocarotenoid-15,15'-oxygenase (EC 1.13.11.75)protein4767% helix, 42% strandP74334

Ligands and binding sites

  • FE2 · Fe (II) ion · metal · 2 copies · chains B, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111180.860.8686empty
211870.840.8580FE2
34720.790.8640empty
44540.790.8738empty
51860.490.7722empty

Interfaces

1 interface between chains.

  • B–A · 400 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6C7P · Crystal structure of D477G ACO/RPE65 chimera, monoclinic crystal form · the same entry in another collection · chain B against B, TM-score 1.00
  • P74334 · AlphaFold monomer V2.0 prediction for apocarotenoid-15,15'-oxygenase (P74334) · a predicted model of the same protein · chain A against A, TM-score 1.00

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