Structure of PDB 7z6q Chain A Binding Site BS11

Receptor Information
>7z6q Chain A (length=667) Species: 194439 (Chlorobaculum tepidum TLS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAAKMRRFLFQRTETRSTKWYQIFDTEKLDDEQVVGGHLALLGVLGFIMG
IYYISGIQVFPWGAPGFHDNWFYLTIKPRMVSLGIDTYSTKTADLEAAGA
RLLGWAAFHFLVGSVLIFGGWRHWTHNLTNPFTGRCGNFRDFRFLGKFGD
VVFNGTSAKSYKEALGPHAVYMSLLFLGWGIVMWAILGFAPIPDFQTINS
ETFMSFVFAVIFFALGIYWWNNPPNAAIHLNDDMKAAFSVHLTAIGYINI
ALGCIAFVAFQQPSFAPYYKELDKLVFYLYGEPFNRVSFNFVEQGGKVIS
GAKEFADFPAYAILPKSGEAFGMARVVTNLIVFNHIICGVLYVFAGVYHG
GQYLLKIQLNGMYNQIKSIWITKGRDQEVQVKILGTVMALCFATMLSVYA
VIVWNTICELNIFGTNITMSFYWLKPLPIFQWMFADPSINDWVMAHVITA
GSLFSLIALVRIAFFAHTSPLWDDLGLKKNSYSFPCLGPVYGGTCGVSIQ
DQLWFAMLWGIKGLSAVCWYIDGAWIASMMYGVPAADAKAWDSIAHLHHH
YTSGIFYYFWTETVTIFSSSHLSTILMIGHLVWFISFAVWFEDRGSRLEG
ADIQTRTIRWLGKKFLNRDVNFRFPVLTISDSKLAGTFLYFGGTFMLVFL
FLANGFYQTNSPLPPPV
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 811 [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)		Y93 F113 T116 L371 F374 N375 I378 L382 F679 G683 F686 F690
Binding residue
(residue number reindexed from 1)		Y52 F72 T75 L330 F333 N334 I337 L341 F638 G642 F645 F649
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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