Structure of PDB 7ueb Chain a Binding Site BS01

Receptor Information
>7ueb Chain a (length=652) Species: 194439 (Chlorobaculum tepidum TLS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSTKWYQIFDTEKLDDEQVVGGHLALLGVLGFIMGIYYISGIQVFPWGAP
GFHDNWFYLTIKPRMVSLGIDTYSTKTADLEAAGARLLGWAAFHFLVGSV
LIFGGWRHWTHNLTNPFTGRCGNFRDFRFLGKFGDVVFNGTSAKSYKEAL
GPHAVYMSLLFLGWGIVMWAILGFAPIPDFQTINSETFMSFVFAVIFFAL
GIYWWNNPPNAAIHLNDDMKAAFSVHLTAIGYINIALGCIAFVAFQQPSF
APYYKELDKLVFYLYGEPFNRVSFNFVEQGGKVISGAKEFADFPAYAILP
KSGEAFGMARVVTNLIVFNHIICGVLYVFAGVYHGGQYLLKIQLNGMYNQ
IKSIWITKGRDQEVQVKILGTVMALCFATMLSVYAVIVWNTICELNIFGT
NITMSFYWLKPLPIFQWMFADPSINDWVMAHVITAGSLFSLIALVRIAFF
AHTSPLWDDLGLKKNSYSFPCLGPVYGGTCGVSIQDQLWFAMLWGIKGLS
AVCWYIDGAWIASMMYGVPAADAKAWDSIAHLHHHYTSGIFYYFWTETVT
IFSSSHLSTILMIGHLVWFISFAVWFEDRGSRLEGADIQTRTIRWLGKKF
LNRDVNFRFPVLTISDSKLAGTFLYFGGTFMLVFLFLANGFYQTNSPLPP
PV
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 802 [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)		M429 C432 F433 M436 L437 Y440 I498 R502 F546 W550
Binding residue
(residue number reindexed from 1)		M373 C376 F377 M380 L381 Y384 I442 R446 F490 W494
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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