Structure of PDB 5xnm Chain 3 Binding Site BS15
Receptor Information
>5xnm Chain 3 (length=220) Species:
3888
(Pisum sativum) [
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DLWYGPDRVKYLGPFSAQTPSYLTGEFPGDYGWDTAGLSADPEAFAKNRA
LEVIHGRWAMLGALGCITPEVLQKWVRVDFKEPVWFKAGSQIFSEGGLDY
LGNPNLVHAQSILAVLGFQIVLMGLVEGFRINGLPDVGEGNDLYPGGQYF
DPLGLADDPVTFAELKVKEIKNGRLAMFSMFGFFVQAIVTGKGPLENLLD
HLDNPVANNAWVYATKFVPG
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
5xnm Chain 3 Residue 613 [
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Receptor-Ligand Complex Structure
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PDB
5xnm
Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Resolution
3.2 Å
Binding residue
(original residue number in PDB)
F200 G204 V207 Q208 V211 T212 N219 L220 H223 N230 N231 A232 Y235
Binding residue
(residue number reindexed from 1)
F178 G182 V185 Q186 V189 T190 N197 L198 H201 N208 N209 A210 Y213
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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Biological Process
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Cellular Component
External links
PDB
RCSB:5xnm
,
PDBe:5xnm
,
PDBj:5xnm
PDBsum
5xnm
PubMed
28839073
UniProt
Q04918
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