Structure of PDB 3wmm Chain C Binding Site BS02

Receptor Information
>3wmm Chain C (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 chain3wmm Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3wmm Structure of the LH1-RC complex from Thermochromatium tepidum at 3.0 angstrom
Resolution3.008 Å
Binding residue
(original residue number in PDB)		V101 Y109 Y122 T123 V126 M130 V134 C152 C155 H156 V161 P162 R295 V305
Binding residue
(residue number reindexed from 1)		V85 Y93 Y106 T107 V110 M114 V118 C136 C139 H140 V145 P146 R279 V289
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3wmm, PDBe:3wmm, PDBj:3wmm
PDBsum3wmm
PubMed24670637
UniProtD2Z0P5|CYCR_THETI Photosynthetic reaction center cytochrome c subunit (Gene Name=pufC)

[Back to BioLiP]