Structure of PDB 5b5n Chain o Binding Site BS01

Receptor Information
>5b5n Chain o (length=317) Species: 1050 (Thermochromatium tepidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVMLLGCEGPPPGTEQIGYRGVGMENYYNKRQRALSIQANQPVESLPAAD
STGPKASEVYQNVQVLKDLSVGEFTRTMVAVTTWVSPKEGCNYCHVPGNW
ASDDIYTKVVSRRMFELVRAANSDWKAHVAETGVTCYTCHRGNPVPKYAW
VTDPGPKYPSGLKPTGQNYGSKTVAYASLPFDPLTPFLDQANEIRITGNA
ALAGSNPASLKQAEWTFGLMMNISDSLGVGCTFCHNTRAFNDWTQSTPKR
TTAWYAIRHVRDINQNYIWPLNDVLPASRKGPYGDPLRVSCMTCHQAVNK
PLYGAQMAKDYPGLYKT
Ligand information
Ligand IDHEM
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,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain5b5n Chain o Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b5n Structural Basis for the Unusual Qy Red-Shift and Enhanced Thermostability of the LH1 Complex from Thermochromatium tepidum.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		Y76 N78 V79 Q80 V81 L82 F90 M94 V97 T98 C107 C110 H111 W116 A117 K124 S127 R128
Binding residue
(residue number reindexed from 1)		Y60 N62 V63 Q64 V65 L66 F74 M78 V81 T82 C91 C94 H95 W100 A101 K108 S111 R112
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:5b5n, PDBe:5b5n, PDBj:5b5n
PDBsum5b5n
PubMed27933779
UniProtD2Z0P5|CYCR_THETI Photosynthetic reaction center cytochrome c subunit (Gene Name=pufC)

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