Structure of PDB 7d0j Chain 4 Binding Site BS06
Receptor Information
>7d0j Chain 4 (length=205) Species:
3055
(Chlamydomonas reinhardtii) [
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LPSWMPGADLPGYLNGTLPGDFGFDPLYLGQDPVKLKWYAQAELMNARFA
MLAVAGILVPELLSNIGFSWPGAGVAWYDAGKFEYFAPASSLFGVQMLLF
AWVEIRRYQDFVKPGSANQDPIFTNNKLPDGNEPGYPGGIFDPFGWSKGD
IKSLKLKEIKNGRLAMLAFAGFIGQAYTTGTTPLKNLSTHLADPWSTTVW
QNDLA
Ligand information
Ligand ID
CHL
InChI
InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+4/p-1/b34-25+;/t32-,33-,36?,40?,51-;/m1./s1
InChIKey
MWVCRINOIIOUAU-UYSPMESUSA-M
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C=O
OpenEye OEToolkits 2.0.7
CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O
CACTVS 3.385
CCC1=C(C=O)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
CACTVS 3.385
CCC1=C(C=O)C2=Cc3n4c(C=C5[C@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N@+]5[Mg]47[N@@]8C(=CC1=[N@+]27)C(=C9C(=O)[C@H](C(=O)OC)C6=C89)C)c(C)c3C=C
Formula
C55 H70 Mg N4 O6
Name
CHLOROPHYLL B
ChEMBL
DrugBank
ZINC
PDB chain
7d0j Chain 4 Residue 306 [
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Receptor-Ligand Complex Structure
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PDB
7d0j
Structure of photosystem I-LHCI-LHCII from the green alga Chlamydomonas reinhardtii in State 2.
Resolution
3.42 Å
Binding residue
(original residue number in PDB)
M102 R105 F106 V160 R163 D167 G192 P194
Binding residue
(residue number reindexed from 1)
M45 R48 F49 V103 R106 D110 G135 P137
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Biological Process
GO:0009765
photosynthesis, light harvesting
Cellular Component
GO:0016020
membrane
View graph for
Biological Process
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Cellular Component
External links
PDB
RCSB:7d0j
,
PDBe:7d0j
,
PDBj:7d0j
PDBsum
7d0j
PubMed
33597543
UniProt
Q75VZ0
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