Structure of PDB 5c2w Chain F Binding Site BS04

Receptor Information
>5c2w Chain F (length=314) Species: 174633 (Candidatus Kuenenia stuttgartiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQPRVISTIQTGATWEPLGREEPLTVPEVHFRVKHSPFKSELVRYGQFQF
NDAAWSLQGSYSCASCHYERGQTTGLIWDLGDEGWGSWKNTKYIRGGRYL
PPFRHEGFTGHPDEIVGATSSLDRVCGRDPGFVFRSENFSPMRLEALICY
IRALEFTGSPFRNADGSLTEAQKRGQKIFEDPKVGCLECHPGDPMDPRAL
FSDAQTHDVGTGRVGVNGFRSTPGKVFNISALEAGEDPYGVESNTPIIGL
DLVKEFDTPTLRDIYASGTYFHDGGARTLMDTINNTVNDKDMHGRTSHLK
QQELQDLVEYLKAL
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 F Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5c2w The inner workings of the hydrazine synthase multiprotein complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)
Y100 C102 C105 H106 W117 K128 F142 R143 H144 V164 C165 D168 F173
Binding residue
(residue number reindexed from 1)
Y61 C63 C66 H67 W78 K89 F103 R104 H105 V125 C126 D129 F134
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.2.7: hydrazine synthase.
Gene Ontology
Molecular Function
GO:0004130 cytochrome-c peroxidase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0044222 anammoxosome

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:5c2w, PDBe:5c2w, PDBj:5c2w
PDBsum5c2w
PubMed26479033
UniProtQ1Q0T3|HZSG_KUEST Hydrazine synthase subunit gamma (Gene Name=kuste2860)

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