Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]

PDB ID: 4OJQ
Metal site ID: 4OJQ-CA-2
Bound amino acids or nucleotide residues: D2
Group identifier: D2E1F1
Is homomeric: True
Amino acid or nucleotide residue IDs: ASP A.437 ASP B.437
All ligands IDs: ASP A.437 ASP B.437 HOH A.869 HOH A.885 HOH B.1130
Number of coordinating amino acids or nucleotide residues: 2
Number of coordinating ligands: 5
Number of coordinating chains: 2
Number of coordinating chains: 2
Representative metal site in the group: 4OK5-CA-1
Similar binding_sites:
Metal site idBound amino acidsBound ligands IDs
4OJQ-CA-1D2E1 ASP A.437 ASP B.437 GLU B.447
4OJQ-CA-2D2 ASP A.437 ASP B.437 HOH A.869 HOH A.885 HOH B.1130
4OK3-CA-1D2 ASP A.437 ASP B.437 HOH A.839 HOH B.704 HOH B.737 HOH B.750
4OK3-CA-2D2E1 ASP A.437 ASP B.437 GLU A.447 HOH A.839
4OK5-CA-2D2E1 ASP A.437 ASP B.437 GLU A.447 HOH A.1139
4OK6-CA-2D2E1 ASP A.437 ASP B.437 GLU A.447 HOH A.1142 HOH B.718
4OKS-CA-1D2 ASP A.437 ASP B.437 HOH B.707 HOH B.739
4OKS-CA-2D1E1 ASP B.437 GLU A.447 HOH A.926