Structure of PDB 3t6d Chain C Binding Site BS01

Receptor Information
>3t6d Chain C (length=334) Species: 1079 (Blastochloris viridis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CFEPPPATTTQTGFRGLSMGEVLHPATVKAKKERDAQYPPALPAVKAEGP
PVSQVYKNVKVLGNLTEAEFLRTMTAMTEWVSPEEGCTYCHDENNLASEA
KYPYVVARRMLEMTRAINTNWTQHVAQTGVTCYTCHRGTPLPPYVRYLEP
TLPLNNRETPTHVERVETRSGYVVRLAKYTAYSALNYDPFTMFLANDKRQ
VRVVPQTALPLVGVSRGKERRPLSDAYATFALMMSISDSLGTNCTFCHNA
QSFETWGKKSTPQRAIAWWGIRMVRDMNMNYLAPLNTVLPASRLGRQGEA
PQADCRTCHQGVTKPLFGASRLQDYPELGPIKAA
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 chain3t6d Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t6d New insights into the structure of the reaction centre from Blastochloris viridis: evolution in the laboratory.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y56 K57 N58 V59 K60 V61 F70 M74 M77 T78 C87 C90 H91 L96 Y104 A107 R108
Binding residue
(residue number reindexed from 1)		Y56 K57 N58 V59 K60 V61 F70 M74 M77 T78 C87 C90 H91 L96 Y104 A107 R108
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:0019684 photosynthesis, light reaction
Cellular Component
GO:0030077 plasma membrane light-harvesting complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3t6d, PDBe:3t6d, PDBj:3t6d
PDBsum3t6d
PubMed22054235
UniProtP07173|CYCR_BLAVI Photosynthetic reaction center cytochrome c subunit (Gene Name=pufC)

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