Structure of PDB 6ly5 Chain b Binding Site BS35
Receptor Information
>6ly5 Chain b (length=732) [
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ATKFPKFSQALAQDPATRRIWYGIATAHDLEAHDGMTEENLYQKIFASHF
GHLAIIFLWTAGNLFHVAWQGNFEQWVAKPLKTKPIAHSIWDPHFGESAL
KAFSKGNTYPVNIAFSGVYQWWYTIGFRTNQELYAGSIGLLILSCVLLFA
GWLHLQPKFRPSLSWFKNNESRLNHHLSGLLGVSSLAWTGHLVHVALPAS
RGVHIGWDNFLTTPPHPAGLKPFFTGNWTVYAENPDSATHVYGTSEGAGT
AILTFLGGFHPQTQSLWLSDIAHHQLAIAVIFIVAGHMYRTNFGIGHNMK
EILDAHRPPGGRLGAGHVGLFETITNSLHMQLGLALAALGVATSLTAQHM
YALTPYAYLSKDFTTEAALYTHHQYIAGFLMVGAFAHGAIFFVRDYDPEL
NKNNVLARMLEHKEAIISHLSWASLFLGFHTLGLYIHNDTVVAFGQPEKQ
ILFEPIFAEYIQAASGKAVYEFNVLLSSSSSPATVAGNQVWLPGWLEAIN
NNKNDLFLKIGPGDFLVHHAIALGLHVTALILVKGALDARGSKLMPDKKD
FGYSFPCDGPGRGGTCDISAWDAFYLAMFWMLNTIGWVTFYWHWKHMTIW
GGNPGQFDESSNYIMGWLRDYLWLNSSPLINGYNPFGMNNLSVWAWMFLF
GHLIWATGFMFLISWRGYWQELIETLVWAHERTPLANLIRWRDKPVALSI
VQARLVGLVHFSVGYILTYAAFLIASTSGKFG
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
6ly5 Chain b Residue 830 [
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Receptor-Ligand Complex Structure
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PDB
6ly5
Structural basis for energy transfer in a huge diatom PSI-FCPI supercomplex.
Resolution
2.38 Å
Binding residue
(original residue number in PDB)
A26 H29 D30 F380 G384 H388 I391 R395 F575
Binding residue
(residue number reindexed from 1)
A25 H28 D29 F379 G383 H387 I390 R394 F574
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.97.1.12
: photosystem I.
Gene Ontology
Molecular Function
GO:0016168
chlorophyll binding
GO:0016491
oxidoreductase activity
GO:0046872
metal ion binding
GO:0051539
4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979
photosynthesis
Cellular Component
GO:0009522
photosystem I
GO:0009579
thylakoid
GO:0016020
membrane
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Biological Process
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Cellular Component
External links
PDB
RCSB:6ly5
,
PDBe:6ly5
,
PDBj:6ly5
PDBsum
6ly5
PubMed
33033236
UniProt
A0A6J4B0E7
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