Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13

PDB ID: 6BL1
Metal site ID: 6BL1-CA-1
Bound amino acids or nucleotide residues: D2
Group identifier: A1D3
Is homomeric: True
Amino acid or nucleotide residue IDs: ASP C.252 ASP C.275
All ligands IDs: ASP C.252 ASP C.275 HOH C.614 HOH C.669 ICT C.502
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: 5I95-CA-1
Similar binding_sites:
Metal site idBound amino acidsBound ligands IDs
2UXR-MG-1D2 ASP A.272 ASP B.249 HOH A.2102 ICT A.1403
4AOV-MG-1D2 ASP A.249 ASP A.272 HOH A.2067 HOH A.2177 ICT A.1404
4AOV-MG-2D2 ASP A.249 ASP A.272 HOH A.2067 HOH A.2177 ICT A.1404
4L04-CA-2D3 AKG B.501 ASP A.252 ASP B.275 ASP B.279 HOH B.611
5I95-CA-2D2 AKG A.508 ASP A.291 ASP A.314 HOH A.619 HOH A.658
6BKX-CA-1D3 ASP C.252 ASP C.275 ASP C.279 HOH C.651 HOH C.726 ICT C.502
6BKX-CA-2D3 ASP C.252 ASP C.275 ASP C.279 HOH C.651 HOH C.726 ICT C.502
6BL1-CA-1D2 ASP C.252 ASP C.275 HOH C.614 HOH C.669 ICT C.502
6BL1-CA-2D2 ASP C.252 ASP C.275 HOH C.614 HOH C.669 ICT C.502
6BL2-CA-1D2 ASP A.275 ASP C.252 HOH A.603 HOH A.744 ICT A.502
6BL2-CA-2D2 ASP A.252 ASP C.275 HOH C.615 HOH C.762 ICT A.505
8BAY-CA-1D2 ASP C.252 ASP C.275 HOH C.717 HOH C.788 QD8 C.605 QDC C.604
8BAY-CA-2D2 ASP C.252 ASP C.275 HOH C.717 HOH C.788 QD8 C.605 QDC C.604