Structure of PDB 9evx Chain c Binding Site BS12
Receptor Information
>9evx Chain c (length=451) Species:
197221
(Thermosynechococcus vestitus BP-1) [
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ATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFEL
AHFIPEKPMYEQGLILIPHIATLGWGVGPGGEVVDTFPFFVVGVVHLISS
AVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGA
LLLVAKAMFFGGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEG
WIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFGWARRAFIWSGEAYL
SYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQ
KLGANVGSAQGPTGLGKYLMRSPTGEIIFGGETMRFWDFRGPWLEPLRGP
NGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVNFVSP
RSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSL
D
Ligand information
Ligand ID
CLA
InChI
InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1
InChIKey
ATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=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=C)C
CACTVS 3.385
CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
ACDLabs 12.01
O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
OpenEye OEToolkits 2.0.7
CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=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=C)C
CACTVS 3.385
CCC1=C(C)C2=Cc3n4[Mg][N@@]5C(=CC1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
Formula
C55 H72 Mg N4 O5
Name
CHLOROPHYLL A
ChEMBL
DrugBank
DB02133
ZINC
PDB chain
9evx Chain c Residue 511 [
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Receptor-Ligand Complex Structure
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PDB
9evx
Cryo-electron microscopy reveals hydrogen positions and water networks in photosystem II
Resolution
1.71 Å
Binding residue
(original residue number in PDB)
R26 W35 G38 N39 R41 L42 K48 A52 F127 I134
Binding residue
(residue number reindexed from 1)
R4 W13 G16 N17 R19 L20 K26 A30 F105 I112
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0016168
chlorophyll binding
GO:0046872
metal ion binding
Biological Process
GO:0015979
photosynthesis
Cellular Component
GO:0005737
cytoplasm
GO:0009523
photosystem II
GO:0009579
thylakoid
GO:0016020
membrane
GO:0031676
plasma membrane-derived thylakoid membrane
GO:0042651
thylakoid membrane
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:9evx
,
PDBe:9evx
,
PDBj:9evx
PDBsum
9evx
PubMed
38900892
UniProt
Q8DIF8
|PSBC_THEVB Photosystem II CP43 reaction center protein (Gene Name=psbC)
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