Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant

PDB ID: 3K1A
Metal site ID: 3K1A-CA-2
Bound amino acids or nucleotide residues: D2E1R1
Group identifier: D2E1F1R1
Is homomeric: True
Amino acid or nucleotide residue IDs: ARG B.108 ASP D.353 ASP D.357 GLU B.109
All ligands IDs: ARG B.108 ASP D.353 ASP D.357 GLU B.109 HOH D.599
Number of coordinating amino acids or nucleotide residues: 4
Number of coordinating ligands: 5
Number of coordinating chains: 2
Number of coordinating chains: 2
Representative metal site in the group: 1M1N-CA-1
Similar binding_sites:
Metal site idBound amino acidsBound ligands IDs
1FP4-CA-1D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109
1FP4-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109
1G20-CA-1D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109 HOH B.1500 HOH D.3500
1G20-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109 HOH B.1499 HOH D.3499
1L5H-CA-1D2E1R1 ARG B.108 ASP B.353 ASP B.357 GLU B.109 HOH A.549 HOH B.708
1L5H-CA-2D2E1R1 ARG B.108 ASP B.353 ASP B.357 GLU B.109 HOH A.549 HOH B.708
1M1N-CA-2D2E1R1 ARG F.108 ASP H.353 ASP H.357 GLU F.109 HOH H.2542 HOH H.2778 HOH H.5005
1M1Y-CA-1D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109
1M1Y-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109
1M34-CA-1D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109 HOH B.2477
1M34-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109 HOH D.2469
1N2C-CA-1D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109
1N2C-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109
2MIN-CA-1D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109
2MIN-CA-2D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109 HOH B.702 HOH D.547
3K1A-CA-1D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109 HOH B.835
3K1A-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109 HOH D.599
3MIN-CA-1D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109 HOH B.700 HOH D.549
3MIN-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109 HOH D.526
4XPI-CA-1D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109 HOH B.728 HOH D.730
4XPI-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109 HOH B.789 HOH D.720
5CX1-CA-1D2E1R1 ARG H.108 ASP F.353 ASP F.357 GLU H.109 HOH F.1018 HOH F.820
5CX1-CA-2D2E1R1 ARG F.108 ASP H.353 ASP H.357 GLU F.109 HOH F.1023 HOH H.747
6OP4-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109 HOH B.781 HOH D.739
7MCI-CA-1D2E1R1 ARG D.108 ASP B.353 ASP B.357 GLU D.109 HOH B.806 HOH D.771
7MCI-CA-2D2E1R1 ARG B.108 ASP D.353 ASP D.357 GLU B.109 HOH B.851 HOH D.828