Structure of PDB 7z6q Chain A Binding Site BS13

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 813 [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)		Y62 Q63 D66 K276 F279 L283 Y383 A386 Y389 H390 Q393 F679
Binding residue
(residue number reindexed from 1)		Y21 Q22 D25 K235 F238 L242 Y342 A345 Y348 H349 Q352 F638
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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