Structure of PDB 5c2w Chain D Binding Site BS04

Receptor Information
>5c2w 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 chain5c2w Chain D Residue 908 [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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PDB5c2w The inner workings of the hydrazine synthase multiprotein complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		K684 C685 M687 C688 H689 Y734 R748 R760 P765 R769 L770 H772 F775 L776
Binding residue
(residue number reindexed from 1)		K646 C647 M649 C650 H651 Y696 R710 R722 P727 R731 L732 H734 F737 L738
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:5c2w, PDBe:5c2w, PDBj:5c2w
PDBsum5c2w
PubMed26479033
UniProtQ1Q0T2|HZSA_KUEST Hydrazine synthase subunit alpha (Gene Name=kuste2861)

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