2025-01-11_00000292|ligand|9FNR

Artificial metalloenzyme with a nickel-based 1,10-phenanthroline cofactor and streptavidin S112V mutant; X-ray diffraction 1.64Å
Protein #1 159 residues (78% resolved)

MASMTGGQQMGRDQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTVGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ

MASMTGGQQMGRDQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTVGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
Non polymer #2 A1ICD

InChI=1S/C24H27N5O2S.Ni.2H2O.2O/c1-29(20(30)7-3-2-6-19-23-18(14-32-19)27-24(31)28-23)13-16-10-12-26-22-17(16)9-8-15-5-4-11-25-21(15)22;;;;;/h4-5,8-12,18-19,23H,2-3,6-7,13-14H2,1H3,(H2,27,28,31);;2*1H2;;/q;+4;;;2*-1/p-2/t18-,19-,23-;;;;;/m0...../s1

CN(Cc1cc[n+]2c3c1ccc4c3[n+](ccc4)[Ni]2(O)(O)([O-])[O-])C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6
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Reference