Structure of PDB 7z6q Chain a Binding Site BS18

Receptor Information
>7z6q Chain a (length=654) Species: 194439 (Chlorobaculum tepidum TLS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETRSTKWYQIFDTEKLDDEQVVGGHLALLGVLGFIMGIYYISGIQVFPWG
APGFHDNWFYLTIKPRMVSLGIDTYSTKTADLEAAGARLLGWAAFHFLVG
SVLIFGGWRHWTHNLTNPFTGRCGNFRDFRFLGKFGDVVFNGTSAKSYKE
ALGPHAVYMSLLFLGWGIVMWAILGFAPIPDFQTINSETFMSFVFAVIFF
ALGIYWWNNPPNAAIHLNDDMKAAFSVHLTAIGYINIALGCIAFVAFQQP
SFAPYYKELDKLVFYLYGEPFNRVSFNFVEQGGKVISGAKEFADFPAYAI
LPKSGEAFGMARVVTNLIVFNHIICGVLYVFAGVYHGGQYLLKIQLNGMY
NQIKSIWITKGRDQEVQVKILGTVMALCFATMLSVYAVIVWNTICELNIF
GTNITMSFYWLKPLPIFQWMFADPSINDWVMAHVITAGSLFSLIALVRIA
FFAHTSPLWDDLGLKKNSYSFPCLGPVYGGTCGVSIQDQLWFAMLWGIKG
LSAVCWYIDGAWIASMMYGVPAADAKAWDSIAHLHHHYTSGIFYYFWTET
VTIFSSSHLSTILMIGHLVWFISFAVWFEDRGSRLEGADIQTRTIRWLGK
KFLNRDVNFRFPVLTISDSKLAGTFLYFGGTFMLVFLFLANGFYQTNSPL
PPPV
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 chain7z6q Chain a Residue 815 [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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PDB7z6q Cryo-EM structure of the whole photosynthetic reaction center apparatus from the green sulfur bacterium Chlorobaculum tepidum.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W112 F113 Y321 G322 H612 I619 M687
Binding residue
(residue number reindexed from 1)		W58 F59 Y267 G268 H558 I565 M633
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:7z6q, PDBe:7z6q, PDBj:7z6q
PDBsum7z6q
PubMed36693097
UniProtQ8KAY0

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