Structure of PDB 7vzg Chain a Binding Site BS11
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 908 [
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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)
R65 N261 T262 E266 M269 C270 W273 H329 Y332
Binding residue
(residue number reindexed from 1)
R58 N254 T255 E259 M262 C263 W266 H322 Y325
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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