Structure of PDB 7qco Chain a Binding Site BS44
Receptor Information
>7qco Chain a (length=728) Species:
1378066
(Chroococcidiopsis sp. TS-821) [
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SFEKWGQPGHFDRTLAKGPKTTTWIWNLHALAHDFDTHTSDLEDISRKIF
AAHFGQLAVIFLWLSGMEFHGARFSNYEAWLSDPIGIKPSAQVVWPIVGQ
DILNADVGGGFHGIQITSGLFQVWRAAGFTNSFQLYVTAIGGLVAAALML
FAGWFHYHKRAPKLEWFQNAESMLNHHLAGLLGLGCLSWAGHQIHVALPV
NKLLDAGVAPKDIPLPHEFILNNSLMAELYPSFAKGLTPFWTLNWGQYAD
FLTFKGGLNPVTGGLWLTDTAHHHLALAVLFIVAGHMYRTNWGIGHSIKE
ILENHKGPFTGDGHKGLYENMTTSWHAQLGTNLAMLGSLTIIVAHHMYAM
PPYPYLATDYATALSIFTHHMWIGGFLIVGGAAHATIFMVRDYDPAVNQN
NVLDRVIRHRDAIISHLNWVCMFLGFHSFGLYIHNDTMQALGRPQDMFSD
TAIQLQPVFAQFVQNIHTLAPGSTAPNALEPVSYAFGGGVVAVGGKIAMM
PIALGTADFMIHHIHAFQIHVTVLILLKGFLFARNSRLIPDKANLGFRFP
CDGPGRGGTCQVSGWDHVFLGLFWMFNTIAIAVYHFSWKMQSDVWGTIDP
DGTIAHITGGNFAMSANTINGWLRDYQWAQAAQVIQSYGSALSAYGLLFL
GAHFVWAFSLMFLFSGRGYWQELIESIVWAHNKLKVAPTIQPRALSIIQG
RAVGVAHYLLGAIVTIWAFFEARIISVG
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
7qco Chain a Residue 852 [
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Receptor-Ligand Complex Structure
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PDB
7qco
Cryo-EM structure of a tetrameric photosystem I from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium.
Resolution
3.7 Å
Binding residue
(original residue number in PDB)
F600 Y608 H677 W680 A736 T739 I740 F743
Binding residue
(residue number reindexed from 1)
F576 Y584 H653 W656 A712 T715 I716 F719
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.97.1.12
: photosystem I.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0009055
electron transfer activity
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
GO:0031676
plasma membrane-derived thylakoid membrane
GO:0042651
thylakoid membrane
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7qco
,
PDBe:7qco
,
PDBj:7qco
PDBsum
7qco
PubMed
35059628
UniProt
A0A2S6VGM5
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