Structure of PDB 8iug Chain C Binding Site BS04

Receptor Information
>8iug Chain C (length=316) Species: 120962 (Roseiflexus castenholzii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPTLFPEITNTVRGRFYIVAGIISVVMAVASIAIFWWIFYTITPAPAPPL
QNPIYVNYTQEPTDYISAESLAAMNAYIQANPQPQAVQVLKGMTTAQISA
YMVAQVSGGLKVDCSYCHNIANFAQQDGYPNAAKKVTARKMMLMSADLNQ
NYTAKLPASVGGYQITCATCHNGKAAGLEPYPIEIMNTLPNDWRLPLELD
YPGGLVVTGRKDVSNHEVEQNQFAMYHMNVSMGQGCTFCHNARYFPSYEI
AQKNHSIIMLQMTKHIQETYVAPGGRIADGIMAGKSPSCWLCHQGANIPP
GAAKPGQVPAVLSSTP
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 chain8iug Chain C Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8iug New insights on the photocomplex of Roseiflexus castenholzii revealed from comparisons of native and carotenoid-depleted complexes.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		G207 L209 T212 Q226 M229 C240 C243 H244 F249 P250 K257 S260
Binding residue
(residue number reindexed from 1)		G203 L205 T208 Q222 M225 C236 C239 H240 F245 P246 K253 S256
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
Biological Process
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0016020 membrane
GO:0030077 plasma membrane light-harvesting complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8iug, PDBe:8iug, PDBj:8iug
PDBsum8iug
PubMed37468106
UniProtQ83XC9

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