Structure of PDB 1fcd Chain D Binding Site BS01

Receptor Information
>1fcd Chain D (length=174) Species: 1049 (Allochromatium vinosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPTAEMLTNNCAGCHGTHGNSVGPASPSIAQMDPMVFVEVMEGFKSGEIA
STIMGRIAKGYSTADFEKMAGYFKQQTYQPAKQSFDTALADTGAKLHDKY
CEKCHVEGGKPLADEEDYHILAGQWTPYLQYAMSDFREERRPMEKKMASK
LRELLKAEGDAGLDALFAFYASQQ
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 chain1fcd Chain D Residue 901 [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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PDB1fcd The structure of flavocytochrome c sulfide dehydrogenase from a purple phototrophic bacterium.
Resolution2.53 Å
Binding residue
(original residue number in PDB)		C11 C14 H15 I29 M32 F37 M41 F44 S51 T52 I53 M54 Y61 Y128
Binding residue
(residue number reindexed from 1)		C11 C14 H15 I29 M32 F37 M41 F44 S51 T52 I53 M54 Y61 Y128
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1fcd, PDBe:1fcd, PDBj:1fcd
PDBsum1fcd
PubMed7939681
UniProtQ06529|CYSD_ALLVD Cytochrome subunit of sulfide dehydrogenase (Gene Name=fccA)

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