Structure of PDB 7ueb Chain a Binding Site BS12

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 IDBCL
InChIInChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1
InChIKeyDSJXIQQMORJERS-AGGZHOMASA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C
CACTVS 3.385[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O
CACTVS 3.385[Mg++].CC[C@@H]1[C@@H](C)C2=Cc3[n-]c(C=C4N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[C@@H]5C(=O)OC)C)c(C)c3C(C)=O
OpenEye OEToolkits 2.0.7CCC1C(C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C
FormulaC55 H74 Mg N4 O6
NameBACTERIOCHLOROPHYLL A
ChEMBL
DrugBankDB01853
ZINC
PDB chain7ueb Chain a Residue 808 [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)		R120 F236 Q237 T238 S241 E242 M245 S246 F249 S305 F306 Y310
Binding residue
(residue number reindexed from 1)		R64 F180 Q181 T182 S185 E186 M189 S190 F193 S249 F250 Y254
Annotation score4
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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