Structure of PDB 5c2w Chain F Binding Site BS05

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 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5c2w The inner workings of the hydrazine synthase multiprotein complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		C225 C228 H229 V248 T250 F295 P298 I303 Y309 F310 H311 H332
Binding residue
(residue number reindexed from 1)		C186 C189 H190 V209 T211 F256 P259 I264 Y270 F271 H272 H293
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5c2w, PDBe:5c2w, PDBj:5c2w
PDBsum5c2w
PubMed26479033
UniProtQ1Q0T3|HZSG_KUEST Hydrazine synthase subunit gamma (Gene Name=kuste2860)

[Back to BioLiP]