Structure of PDB 7vzg Chain a Binding Site BS08
Receptor Information
>7vzg Chain a (length=858) Species:
458033
(Chloracidobacterium thermophilum) [
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ANGVKRWYQKLELPMPPERIFGAHMMLIGGLACLIGTYFFASMTMWNDGY
VNLTLRPRLISLGIYDPYDTEQIQRVWLPLIGEFSTSKLPFFGQYPLTMT
DFRLFGWGCFHIGLGLWLVYAGAAHYYGARGGATIGEIFWLLPYVPGLKG
LCQIKWFTPEGPWYKVGLPWGSFANTPWPILRRTYADALSPHTIYIGLLF
FIWGFVLWFVLDKPPVPLQPAQVMTPNGLMPLEQAPFPYGWFDPYLNQVM
HPMNTINGETTMCFVWGVLFVALGAYWWYRPPRSINITHLEDTKAVFHVH
LTAIGYVSFALAIVGFLALRNHPSYLMLNDMNVIIYGKKIVNPGRMIHNM
ITFNHVQVGLLYVAAGVFHGGQYLHGLNISGAYKQARSKFITWFQNPDLQ
TKIVGTTMFVSFVTVVFGYGMICWNTGAELDLNFGIYQFRSFRAIQMDGE
AGNIGYRVFRPKNPWDPTAGGDWVKNPDGTAKLVKARNLQVGDRILNEEL
GIGSSPTYSFTTIEEINYKPEWGQPKLYAVQWGSWTHFLRKVNPLFWVDK
GIWYLQNQKTFEATRKADEAYLAAHLKAVSLLNQIDDAQTEEAKQKAQAE
LDKFRPELEKAHANMLEWNERLASTPAVLYSNLRDQHRDGEINDAIFFWL
MIGGWLFGFIPLLRIAFHNYQSPWYRDFEWRKQSPDFPCIGPVKGGTCGV
SIQDQLWFCILFSIKPLSAIAWYLDGGWIATMMARGNEAYYLTHNISHTG
GVFLYMWNETTWIWTDNHLTAMLLLGHLIWFVSFALWFKDRGSRAEGGDI
QSRWVRLMGKRLGIKTLQEVRFPVSNLATAKLWGTVFFYTGTFVLVFLYF
ADGFFQNR
Ligand information
Ligand ID
BCL
InChI
InChI=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
InChIKey
DSJXIQQMORJERS-AGGZHOMASA-M
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
CC[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 2.0.7
CCC1C(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
Formula
C55 H74 Mg N4 O6
Name
BACTERIOCHLOROPHYLL A
ChEMBL
DrugBank
DB01853
ZINC
PDB chain
7vzg Chain a Residue 905 [
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Receptor-Ligand Complex Structure
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PDB
7vzg
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c.
Resolution
2.61 Å
Binding residue
(original residue number in PDB)
H296 A302 H305 V306 Y313 V374 F397 I398 F401
Binding residue
(residue number reindexed from 1)
H289 A295 H298 V299 Y306 V367 F390 I391 F394
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Biological Process
GO:0015979
photosynthesis
Cellular Component
GO:0009579
thylakoid
GO:0016020
membrane
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7vzg
,
PDBe:7vzg
,
PDBj:7vzg
PDBsum
7vzg
PubMed
36517472
UniProt
G2LDR8
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