Structure of PDB 7o0w Chain C Binding Site BS03

Receptor Information
>7o0w Chain C (length=299) Species: 1379270 (Gemmatimonas phototrophica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AATDTVQVGYRGTAMEQNYDHGDLKTKFAQVKLPQSPPPAGESPPGPLPW
KNVQVLNDISIAEFNRTMIAMSTWVAGTGNCAYCHNVAAFQDDTLPNGKP
LYTKIVARRMLQMTRNINGNYSQHVKNTGVTCYTCHMGKPLPNGLWFYSS
QTDYLRHYLDRDGARVITQGVAPSNANRSSTKQAEWTYALMISQSRSLGV
NCTYCHNTRQFASWREAPPARVTAYHGILMLRDVNQNYLAPLQPVYPAVR
LGAMGDAPKAQCVTCHNGAYKPLYGAQMAKDFPAMWGRADWNGVPFPGI
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 chain7o0w Chain C Residue 1002 [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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PDB7o0w 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Resolution2.47 Å
Binding residue
(original residue number in PDB)		W64 K65 N66 V67 Q68 V69 F78 M82 M85 S86 C95 C98 H99 F104 Q105 K118 A121 R122
Binding residue
(residue number reindexed from 1)		W50 K51 N52 V53 Q54 V55 F64 M68 M71 S72 C81 C84 H85 F90 Q91 K104 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
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:7o0w, PDBe:7o0w, PDBj:7o0w
PDBsum7o0w
PubMed35171663
UniProtA0A143BHR6

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