Structure of PDB 5c2v Chain A Binding Site BS05

Receptor Information
>5c2v Chain A (length=768) Species: 174633 (Candidatus Kuenenia stuttgartiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPVMTGGPVQGKALWTDYSGMSKEVQGPVSQILFTQSPRTAKGDPYQNYP
HYIPEGSRIVLFDLNTKELKVLTNDFATAFDPCTYWDGKKFAFAGVHKKG
GGCQIWEMNIDGSGLRQMTDLKGTCRSPIYYAAGSIEEGEGRIIWRDREG
DWKEHGMVEKTGMIIFSGSPEGVMDEFHNPYAYNLYRLDTQGGKIIQRIT
GHVLSGIEFPHLNTTIDQITYNLSSNFDPWLTPDGNILFSSVQANGSRAG
GEGRVMICVDNWDGAYPRPIYGNCDGEIGGTSGRSQAKITFGDRKIVYVE
SPYMNWGVGQLAAVSWDAPFNKTYEKLTGKDGGLYRSPYPLPDDRMLVSY
AERGDFGIYWFNFSKCAAGDKVYDDPNWNDHQPAPVYVKYKPRWINTFTA
GKNFGVTVVTYQPFDQVKVEGYPHSWGTWICFDTTLSDQPVGPYPHQKAK
NVSHGDIKAVRIIQGYQCVEPDSTRFRVGAGAHLLGGERSSSNSGTAFQQ
RGIIGYQYVESDGSTVTSQLSDVPYYMQILDDKGMSVQTALTWAYLRPYH
GRICSGCHYGSYRGRAFKNIHAKALYNWWYDDRSHYDSPFAFRYLKFDND
GNYKGVKHGEDVVGTTSQPVEGLTLDKQRTVDFRRDIQPILDAKCAMCHD
SNNPPNLGGGLELVSVDGIAAYSRAYNSLLEPQRGKDPNIGGKYVNPSAA
INSLLVWRLYEAELSANAPREKIFPIEGRLLHNKFLTQDERYAIVEWIDL
GAQWDNIPGPDFYPGYLV
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 A Residue 906 [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)		K684 C685 C688 H689 Y734 R748 R760 P765 R769 L770 H772 F775 L776
Binding residue
(residue number reindexed from 1)		K644 C645 C648 H649 Y694 R708 R720 P725 R729 L730 H732 F735 L736
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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