2026-08-08_00000091|ligand|30JK

crystal structure of [FeFe]-hydrogenase CbA5H from Clostridium beijerinckii in Hinact state; X-ray diffraction 2.15Å
Protein #1 674 residues (90% resolved)

MGDNKKSFIQSALGSVFSVFSEEELKELSNGRKIAICGKVNNPGIIEVPEGATLNEIIQLCGGLINKSNFKAAQIGLPFGGFLTEDSLDKEFDFGIFYENIARTIIVLSQEDCIIQFEKFYIEYLLAKIKDGSYKNYEVVKEDITEMFNILNRISKGVSNMREIYLLRNLAVTVKSKMNQKHNIMEEIIDKFYEEIEEHIEEKKCYTSQCNHLVKLTITKKCIGCGACKRACPVDCINGELKKKHEIDYNRCTHCGACVSACPVDAISAGDNTMLFLRDLATPNKVVITQMAPAVRVAIGEAFGFEPGENVEKKIAAGLRKLGVDYVFDTSWGADLTIMEEAAELQERLERHLAGDESVKLPILTSCCPSWIKFIEQNYGDMLDVPSSAKSPMEMFAIVAKEIWAKEKGLSRDEVTSVAIMPCIAKKYEASRAEFSVDMNYDVDYVITTRELIKIFENSGINLKEIEDEEIDTVMGEYTGAGIIFGRTGGVIEAATRTALEKMTGERFDNIEFEGLRGWDGFRVCELEAGDIKLRIGVAHGLREAAKMLDKIRSGEEFFHAIEIMACVGGCIGGGGQPKTKGNKQAALQKRAEGLNNIDRSKTLRRSNENPEVLAIYEKYLDHPLSNKAHELLHTVYFPRVKKDDIWSVGVKLFGGGSGGGSGGGSWSHPQFEK

MGDNKKSFIQSALGSVFSVFSEEELKELSNGRKIAICGKVNNPGIIEVPEGATLNEIIQLCGGLINKSNFKAAQIGLPFGGFLTEDSLDKEFDFGIFYENIARTIIVLSQEDCIIQFEKFYIEYLLAKIKDGSYKNYEVVKEDITEMFNILNRISKGVSNMREIYLLRNLAVTVKSKMNQKHNIMEEIIDKFYEEIEEHIEEKKCYTSQCNHLVKLTITKKCIGCGACKRACPVDCINGELKKKHEIDYNRCTHCGACVSACPVDAISAGDNTMLFLRDLATPNKVVITQMAPAVRVAIGEAFGFEPGENVEKKIAAGLRKLGVDYVFDTSWGADLTIMEEAAELQERLERHLAGDESVKLPILTSCCPSWIKFIEQNYGDMLDVPSSAKSPMEMFAIVAKEIWAKEKGLSRDEVTSVAIMPCIAKKYEASRAEFSVDMNYDVDYVITTRELIKIFENSGINLKEIEDEEIDTVMGEYTGAGIIFGRTGGVIEAATRTALEKMTGERFDNIEFEGLRGWDGFRVCELEAGDIKLRIGVAHGLREAAKMLDKIRSGEEFFHAIEIMACVGGCIGGGGQPKTKGNKQAALQKRAEGLNNIDRSKTLRRSNENPEVLAIYEKYLDHPLSNKAHELLHTVYFPRVKKDDIWSVGVKLFGGGSGGGSGGGSWSHPQFEK
Non polymer #2 402

InChI=1S/C2H5NS2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h3H,1-2H2;;;;;;;/q;;;;2*+1;;

C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 SF4

InChI=1S/4Fe.4S

[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
Non polymer #6 UNK

InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

CC[C@@H](C(=O)O)N
Non polymer #7 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference