Structure of PDB 1fcd Chain D Binding Site BS02

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 902 [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)		Y100 C101 K103 C104 H105 H119 Y128 F136 R141 E144 K146 M147
Binding residue
(residue number reindexed from 1)		Y100 C101 K103 C104 H105 H119 Y128 F136 R141 E144 K146 M147
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

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Molecular Function
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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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