Structure of PDB 7o0u Chain C Binding Site BS03

Receptor Information
>7o0u Chain C (length=301) Species: 1379270 (Gemmatimonas phototrophica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDAATDTVQVGYRGTAMEQNYDHGDLKTKFAQVKLPQSPPPAGESPPGPL
PWKNVQVLNDISIAEFNRTMIAMSTWVAGTGNCAYCHNVAAFQDDTLPNG
KPLYTKIVARRMLQMTRNINGNYSQHVKNTGVTCYTCHMGKPLPNGLWFY
SSQTDYLRHYLDRDGARVITQGVAPSNANRSSTKQAEWTYALMISQSRSL
GVNCTYCHNTRQFASWREAPPARVTAYHGILMLRDVNQNYLAPLQPVYPA
VRLGAMGDAPKAQCVTCHNGAYKPLYGAQMAKDFPAMWGRADWNGVPFPG
I
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 chain7o0u Chain C Residue 402 [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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PDB7o0u 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		V89 Y116 T117 V120 M124 L125 M127 C146 C149 H150 L155 P156 Y260 R264 P272
Binding residue
(residue number reindexed from 1)		V77 Y104 T105 V108 M112 L113 M115 C134 C137 H138 L143 P144 Y248 R252 P260
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
Biological Process
GO:0015979 photosynthesis
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:7o0u, PDBe:7o0u, PDBj:7o0u
PDBsum7o0u
PubMed35171663
UniProtA0A143BHR6

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