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MolNFT v1 · #151231 · protein

Crystal structure of the medfly odorant binding protein CCAPOBP22/CCAPOBP69A

6HHE · Odorant binding protein OBP69A: “Crystal structure of the medfly odorant binding protein CCAPOBP22/CCAPOBP69A”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.72). MolNFT v1 #151231 on GenesisL1: 3D structure…

PDB
6HHE
Type
protein
Length
116 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Odorant binding protein OBP69A
UniProt
W8W3V2
Ligands
SO4
Pockets
2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOdorant binding protein OBP69Aprotein11672% helix, 2% strandW8W3V2

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • PG0 · 2-(2-methoxyethoxy)ethanol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12190.720.8622empty
2570.360.7812SO4

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6HHE · Crystal structure of the medfly Odorant Binding Protein CcapOBP22/CcapOBP69a · the same entry in another collection · chain A against A, TM-score 1.00

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