Structure of PDB 6trd Chain A Binding Site BS17
Receptor Information
>6trd Chain A (length=746) Species:
197221
(Thermosynechococcus vestitus BP-1) [
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PKVRVVVDNDPVPTSFEKWAKPGHFDRTLARGPQTTTWIWNLHALAHDFD
THTSDLEDISRKIFSAHFGHLAVVFIWLSGMYFHGAKFSNYEAWLADPTG
IKPSAQVVWPIVGQGILNGDVGGGFHGIQITSGLFQLWRASGITNEFQLY
CTAIGGLVMAGLMLFAGWFHYHKRAPKLEWFQNVESMLNHHLAGLLGLGS
LAWAGHQIHVSLPINKLLDAGVAAKDIPLPHEFILNPSLMAELYPKVDWG
FFSGVIPFFTFNWAAYSDFLTFNGGLNPVTGGLWLSDTAHHHLAIAVLFI
IAGHMYRTNWGIGHSLKEILEAHKGPFTGAGHKGLYEVLTTSWHAQLAIN
LAMMGSLSIIVAQHMYAMPPYPYLATDYPTQLSLFTHHMWIGGFLVVGGA
AHGAIFMVRDYDPAMNQNNVLDRVLRHRDAIISHLNWVCIFLGFHSFGLY
VHNDTMRAFGRPQDMFSDTGIQLQPVFAQWVQNLHTLAPGGTAPNAAATA
SVAFGGDVVAVGGKVAMMPIVLGTADFMVHHIHAFTIHVTVLILLKGVLF
ARSSRLIPDKANLGFRFPCDGPGRGGTCQVSGWDHVFLGLFWMYNCISVV
IFHFSWKMQSDVWGTVAPDGTVSHITGGNFAQSAITINGWLRDFLWAQAS
QVIGSYGSALSAYGLLFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHN
KLKVAPAIQPRALSIIQGRAVGVAHYLLGGIATTWAFFLARIISVG
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
6trd Chain A Residue 817 [
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Receptor-Ligand Complex Structure
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PDB
6trd
Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I
Resolution
3.16 Å
Binding residue
(original residue number in PDB)
F156 H240 I243
Binding residue
(residue number reindexed from 1)
F147 H231 I234
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
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6trd
,
PDBe:6trd
,
PDBj:6trd
PDBsum
6trd
PubMed
UniProt
P0A405
|PSAA_THEVB Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)
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