Structure of PDB 7s3d Chain a Binding Site BS21

Receptor Information
>7s3d Chain a (length=749) Species: 91464 (Synechococcus sp. PCC 7335) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASAATEQSPIPTSFERWAKPGHFDRTLARGPKTTTWIWNLHADAHDFDSH
TNDLQDISRKIFSAHFGHLAVVFVWLSGMYFHGARFSNFSSWMADPTHIR
PSAQVVWPLVGQDILNGDMGGGFRGIQITSGLFQMWRGEGFTNEFQLYCT
AIGALVMAGLMIFAGWFHYHVRSPKLEWFQNVQSMLNHHLAGLLGLGSLG
WAGHLIHVALPTNKLLDAGVAPQDIPLPHEFVLDKALMAELYPSFAQGIR
PFFTLNWATYSDFLTFNGGLNPVTGGLWMTDIAHHHVAIAVLFIFAGHMY
RTNWGIGHSIRTMLEDARHPKMLPFLSFIGPVGHRGLFEVLTTSWHAQLS
INLAMMGSLSIIVAQHMYSMPPYPYLATDYGTVTSLFTHHMWIGGFLIVG
AAAHAGIFMVRDYDPAENVNNVLDRVLRHRDAIISHLVWVCQFLGFHSFA
MYCHNDTMRAFGRPQDMFSDTGIQLQPIFAQWVQHIQTMAVGSTTAPGVA
SPASYAFGGGLVAVGGKVAMMPISLGTADFLIHHIHAFTIHVTVLVLLKG
VLFARNSRLIPDKSELGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYNSI
AMVIFHFFWKMQSDVWGAVDANGTVSHITGGNFAQSSITINGWLRDFLWA
QATQVISSYGSALSAYGLMFLAGHFVFAFSLMFLFSGRGYWQELIESIVW
AHNKLRITTAIQPRALSITQGRAVGAAHYLLGSIVTTWAFFLARMAAIG
Ligand information
Ligand IDCLA
InChIInChI=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
InChIKeyATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=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 3.385CCC1=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 12.01O=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 2.0.7CCC1=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 3.385CCC1=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
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A
ChEMBL
DrugBankDB02133
ZINC
PDB chain7s3d Chain a Residue 1117 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7s3d Structure of a photosystem I-ferredoxin complex from a marine cyanobacterium provides insights into far-red light photoacclimation.
Resolution2.91 Å
Binding residue
(original residue number in PDB)		E149 L204 G207 S208 W211 I292 H295 H296 I299 F303 L369 H376 P382 Y383
Binding residue
(residue number reindexed from 1)		E139 L194 G197 S198 W201 I282 H285 H286 I289 F293 L359 H366 P372 Y373
Annotation score1
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:7s3d, PDBe:7s3d, PDBj:7s3d
PDBsum7s3d
PubMed34793839
UniProtB4WP20

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