2026-06-06_00000021
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ligand
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21HO
Crystal strucrue of HuHF-C2-MEO complex;
X-ray diffraction 2.40Å
Protein #1
182 residues (95% resolved)
Raw Sequence ...
TTASTSQVRQNYHQDSEAAINRQINLALYASYVALSMSYYFDRDDVALKNFAKAFLAASHAAREAAEALMKLQNQRGGRIFLQDIQKPDCDDWESGLNAMECALHLAKNVNQSLLELHKLATDKNDPHLCDFIETAALNAAVAAIKALGDHVTNLRKMGAPESGLAEYLFDKHTLGDSDNES
Canonical Sequence ...
TTASTSQVRQNYHQDSEAAINRQINLALYASYVALSMSYYFDRDDVALKNFAKAFLAASHAAREAAEALMKLQNQRGGRIFLQDIQKPDCDDWESGLNAMECALHLAKNVNQSLLELHKLATDKNDPHLCDFIETAALNAAVAAIKALGDHVTNLRKMGAPESGLAEYLFDKHTLGDSDNES
Non polymer #2
A1E2V
InChI=1S/2C9H11O2S.2Fe.4H2NO/c2*1-10-8-3-7(6-12)4-9(5-8)11-2;;;4*1-2/h2*3-5H,6H2,1-2H3;;;4*1-2H/q;;2*+2;4*-1
InChI=1S/2C9H11O2S.2Fe.4H2NO/c2*1-10-8-3-7(6-12)4-9(5-8)11-2;;;4*1-2/h2*3-5H,6H2,1-2H3;;;4*1-2H/q;;2*+2;4*-1
SMILES: COc1cc(cc(c1)OC)C[S]2[Fe]([S]([Fe]2(NO)NO)Cc3cc(cc(c3)OC)OC)(NO)NO
COc1cc(cc(c1)OC)C[S]2[Fe]([S]([Fe]2(NO)NO)Cc3cc(cc(c3)OC)OC)(NO)NO
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
homo-24-mer
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