Structure of PDB 7ueb Chain A Binding Site BS21

Receptor Information
>7ueb Chain A (length=650) Species: 194439 (Chlorobaculum tepidum TLS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKWYQIFDTEKLDDEQVVGGHLALLGVLGFIMGIYYISGIQVFPWGAPGF
HDNWFYLTIKPRMVSLGIDTYSTKTADLEAAGARLLGWAAFHFLVGSVLI
FGGWRHWTHNLTNPFTGRCGNFRDFRFLGKFGDVVFNGTSAKSYKEALGP
HAVYMSLLFLGWGIVMWAILGFAPIPDFQTINSETFMSFVFAVIFFALGI
YWWNNPPNAAIHLNDDMKAAFSVHLTAIGYINIALGCIAFVAFQQPSFAP
YYKELDKLVFYLYGEPFNRVSFNFVEQGGKVISGAKEFADFPAYAILPKS
GEAFGMARVVTNLIVFNHIICGVLYVFAGVYHGGQYLLKIQLNGMYNQIK
SIWITKGRDQEVQVKILGTVMALCFATMLSVYAVIVWNTICELNIFGTNI
TMSFYWLKPLPIFQWMFADPSINDWVMAHVITAGSLFSLIALVRIAFFAH
TSPLWDDLGLKKNSYSFPCLGPVYGGTCGVSIQDQLWFAMLWGIKGLSAV
CWYIDGAWIASMMYGVPAADAKAWDSIAHLHHHYTSGIFYYFWTETVTIF
SSSHLSTILMIGHLVWFISFAVWFEDRGSRLEGADIQTRTIRWLGKKFLN
RDVNFRFPVLTISDSKLAGTFLYFGGTFMLVFLFLANGFYQTNSPLPPPV
Ligand information
Ligand IDG2O
InChIInChI=1S/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,17,22,26,28-33,37,41,51H,1,14-16,18-21,23-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b22-17+,34-26-;/t32-,33-,37+,41+,51-;/m1./s1
InChIKeyVQHOHZHNXFAELH-DMJPLALWSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9=[N]7C(=C6[C@H](C5=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC/C=C(/C)\CC=C[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C
OpenEye OEToolkits 2.0.7CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9=[N]7C(=C6C(C5=O)C(=O)OC)C(C9C)CCC(=O)OCC=C(C)CC=CC(C)CCCC(C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C
CACTVS 3.385CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=CC6=NC(=C7[CH](C(=O)OC)C(=O)c(c3C)c47)[CH](CCC(=O)OCC=C(C)CC=C[CH](C)CCC[CH](C)CCCC(C)C)[CH]6C)C(=C(C=C)C5=C2)C
CACTVS 3.385CCC1=C(C)C2=NC1=Cc3n4[Mg][N@]5C(=CC6=NC(=C7[C@@H](C(=O)OC)C(=O)c(c3C)c47)[C@@H](CCC(=O)OC\C=C(\C)C\C=C\[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]6C)C(=C(C=C)C5=C2)C
FormulaC55 H70 Mg N4 O5
NameChlorophyll A ester
ChEMBL
DrugBank
ZINC
PDB chain7ueb Chain a Residue 801 [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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PDB7ueb Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Resolution3.08 Å
Binding residue
(original residue number in PDB)		M618 I619 H621 L622 F625
Binding residue
(residue number reindexed from 1)		M560 I561 H563 L564 F567
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7ueb, PDBe:7ueb, PDBj:7ueb
PDBsum7ueb
PubMed36192412
UniProtQ8KAY0

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