Structure of PDB 5xnn Chain 3 Binding Site BS09
Receptor Information
>5xnn Chain 3 (length=220) Species:
3888
(Pisum sativum) [
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DLWYGPDRVKYLGPFSAQTPSYLTGEFPGDYGWDTAGLSADPEAFAKNRA
LEVIHGRWAMLGALGCITPEVLQKWVRVDFKEPVWFKAGSQIFSEGGLDY
LGNPNLVHAQSILAVLGFQIVLMGLVEGFRINGLPDVGEGNDLYPGGQYF
DPLGLADDPVTFAELKVKEIKNGRLAMFSMFGFFVQAIVTGKGPLENLLD
HLDNPVANNAWVYATKFVPG
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
5xnn Chain 3 Residue 607 [
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Receptor-Ligand Complex Structure
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PDB
5xnn
Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Resolution
3.6 Å
Binding residue
(original residue number in PDB)
F108 G111 Q141 F206
Binding residue
(residue number reindexed from 1)
F86 G89 Q119 F184
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0016168
chlorophyll binding
GO:0019904
protein domain specific binding
Biological Process
GO:0009416
response to light stimulus
GO:0009635
response to herbicide
GO:0009644
response to high light intensity
GO:0009737
response to abscisic acid
GO:0009765
photosynthesis, light harvesting
GO:0009768
photosynthesis, light harvesting in photosystem I
GO:0009769
photosynthesis, light harvesting in photosystem II
GO:0010119
regulation of stomatal movement
GO:0015979
photosynthesis
Cellular Component
GO:0009507
chloroplast
GO:0009517
PSII associated light-harvesting complex II
GO:0009522
photosystem I
GO:0009523
photosystem II
GO:0009535
chloroplast thylakoid membrane
GO:0009579
thylakoid
GO:0009941
chloroplast envelope
GO:0010287
plastoglobule
GO:0016020
membrane
GO:0042651
thylakoid membrane
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Molecular Function
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Cellular Component
External links
PDB
RCSB:5xnn
,
PDBe:5xnn
,
PDBj:5xnn
PDBsum
5xnn
PubMed
28839073
UniProt
Q04918
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