GL1X · GenesisL1 explorer

MolNFT v1 · #160381 · protein

Crystal structure of ecdsba in a complex with unpurified reaction product G6 (pyrazole 9)

6PIQ: “Crystal structure of ecdsba in a complex with unpurified reaction product G6 (pyrazole 9)”. X-ray diffraction, 2 ligands (OAV, CU). MolNFT v1 #160381 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6PIQ
Type
protein
Length
375 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0AEG4
Ligands
OAV, CU

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein188—P0AEG4
B—protein187—P0AEG4

Ligands and binding sites

  • OAV · 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide · ligand · chains A, B
  • CU · Copper (II) ion · metal · chains B

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

Compared structures

  • 6PIQ · Crystal Structure of EcDsbA in a complex with unpurified reaction product G6 (pyrazole 9) · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AEG4 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsba (P0AEG4) · a predicted model of the same protein · chain B against A, TM-score 0.98

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