Structure of PDB 5c2v Chain D Binding Site BS03

Receptor Information
>5c2v Chain D (length=770) Species: 174633 (Candidatus Kuenenia stuttgartiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPVMTGGPVQGKALWTDYSGMSKEVQGPVSQILFTQSPRTAKGDPYQNYP
HYIPEGSRIVLFDLNTKELKVLTNDFATAFDPCTYWDGKKFAFAGVHKKG
GGCQIWEMNIDGSGLRQMTDLKGTCRSPIYYAAGSIEEGEGRIIWRDEGD
WKEHGMVEKTGMIIFSGSPEGVMDEFHNPYAYNLYRLDTQGGKIIQRITG
HVLSGIEFPHLNTTIDQITYNLSSNFDPWLTPDGNILFSSVQANGSRAGG
EGRVMICVDNWDGAYPRPIYGNCDGEIGGTSGRSQAKITFGDRKIVYVES
PYMNWGVGQLAAVSWDAPFNKTYEKLTGKDGGLYRSPYPLPDDRMLVSYA
ERGDFGIYWFNFSKCAAGDKVYDDPNWNDHQPAPVYVKYKPRWINTFTAG
KNFGVTVVTYQPFDQVKVEGYPHSWGTWICFDTTLSDQPVGPYPHQKAKN
VSHGDIKAVRIIQGYQCVEPDSTRFRVGAGAHLLGGERSSSNSGTAFQQR
GIIGYQYVESDGSTVTSQLSDVPYYMQILDDKGMSVQTALTWAYLRPYHG
RICSGCHYGSYRGRAFKNIHAKALYNWWYDDRSHYDSPFAFRYLKFDNDG
NYKGVKHGEDVVGPSGTTSQPVEGLTLDKQRTVDFRRDIQPILDAKCAMC
HDSNNPPNLGGGLELVSVDGIAAYSRAYNSLLEPQRGKDPNIGGKYVNPS
AAINSLLVWRLYEAELSANAPREKIFPIEGRLLHNKFLTQDERYAIVEWI
DLGAQWDNIPGPDFYPGYLV
Ligand information
Ligand IDHEC
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain5c2v Chain D Residue 905 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5c2v The inner workings of the hydrazine synthase multiprotein complex.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R277 P298 N302 C303 H475 M556 Q567 A569 L570 R581 C583 C586 H587 Y591
Binding residue
(residue number reindexed from 1)		R247 P268 N272 C273 H445 M526 Q537 A539 L540 R551 C553 C556 H557 Y561
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.2.7: hydrazine synthase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0044222 anammoxosome

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5c2v, PDBe:5c2v, PDBj:5c2v
PDBsum5c2v
PubMed26479033
UniProtQ1Q0T2|HZSA_KUEST Hydrazine synthase subunit alpha (Gene Name=kuste2861)

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