Structure of PDB 5oy0 Chain a Binding Site BS04

Receptor Information
>5oy0 Chain a (length=751) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTISPPEREAKAKVSVDNNPVPTSFEKWGKPGHFDRTLARGPKTTTWIWN
LHANAHDFDSQTSDLEDVSRKIFSAHFGHLAVVFVWLSGMYFHGAKFSNY
EGWLADPTHIKPSAQVVWPIVGQGILNGDVGGGFHGIQITSGLFYLWRAS
GFTDSYQLYCTAIGGLVMAALMLFAGWFHYHVKAPKLEWFQNVESMMNHH
LAGLLGLGSLGWAGHQIHVSMPINKLLDAGVAPKDIPLPHEFILEPSKMA
ELYPSFAQGLTPFFTLNWGVYSDFLTFKGGLNPVTGGLWLSDTAHHHLAI
AVLFIIAGHMYRTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHA
QLAINLALLGSLTIIVAQHMYAMPPYPYQAIDYATQLSLFTHHMWIGGFL
IVGAGAHGAIFMVRDYDPAKNVNNLLDRMLRHRDAIISHLNWVCIFLGFH
SFGLYIHNDTMRALGRPQDMFSDTAIQLQPIFAQWVQHLHTLAPGATAPN
ALATASYAFGGETIAVAGKVAMMPITLGTADFMVHHIHAFTIHVTALILL
KGVLYARSSRLVPDKANLGFRFPCDGPGRGGTCQVSGWDHVFLGLFWMYN
SLSIVIFHFSWKMQSDVWGTVSPDGSVTHVTLGNFAQSAITINGWLRDFL
WAQAANVINSYGSALSAYGIMFLAGHFVFAFSLMFLFSGRGYWQELIESI
VWAHNKLNVAPAIQPRALSIIQGRAVGVAHYLLGGIVTTWAFFLARSLSI
G
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 chain5oy0 Chain a Residue 1103 [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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PDB5oy0 Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis.
Resolution2.501 Å
Binding residue
(original residue number in PDB)		H56 I72 A75 H76 H79 L80 F84 W348 H349 Q351 L352 N355 L356
Binding residue
(residue number reindexed from 1)		H56 I72 A75 H76 H79 L80 F84 W348 H349 Q351 L352 N355 L356
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:0005886 plasma membrane
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:5oy0, PDBe:5oy0, PDBj:5oy0
PDBsum5oy0
PubMed29414678
UniProtP29254|PSAA_SYNY3 Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)

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