Structure of PDB 7ueb Chain a Binding Site BS05

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 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7ueb Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Resolution3.08 Å
Binding residue
(original residue number in PDB)		M436 Y440 A441 V444 F495 L549 W550 K553 M570 F597 Y681
Binding residue
(residue number reindexed from 1)		M380 Y384 A385 V388 F439 L493 W494 K497 M514 F541 Y625
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

[Back to BioLiP]