Structure of PDB 5oy0 Chain 1 Binding Site BS10

Receptor Information
>5oy0 Chain 1 (length=744) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REAKAKVSVDNNPVPTSFEKWGKPGHFDRTLARGPKTTTWIWNLHANAHD
FDSQTSDLEDVSRKIFSAHFGHLAVVFVWLSGMYFHGAKFSNYEGWLADP
THIKPSAQVVWPIVGQGILNGDVGGGFHGIQITSGLFYLWRASGFTDSYQ
LYCTAIGGLVMAALMLFAGWFHYHVKAPKLEWFQNVESMMNHHLAGLLGL
GSLGWAGHQIHVSMPINKLLDAGVAPKDIPLPHEFILEPSKMAELYPSFA
QGLTPFFTLNWGVYSDFLTFKGGLNPVTGGLWLSDTAHHHLAIAVLFIIA
GHMYRTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINLA
LLGSLTIIVAQHMYAMPPYPYQAIDYATQLSLFTHHMWIGGFLIVGAGAH
GAIFMVRDYDPAKNVNNLLDRMLRHRDAIISHLNWVCIFLGFHSFGLYIH
NDTMRALGRPQDMFSDTAIQLQPIFAQWVQHLHTLAPGATAPNALATASY
AFGGETIAVAGKVAMMPITLGTADFMVHHIHAFTIHVTALILLKGVLYAR
SSRLVPDKANLGFRFPCDGPGRGGTCQVSGWDHVFLGLFWMYNSLSIVIF
HFSWKMQSDVWGTVSPDGSVTHVTLGNFAQSAITINGWLRDFLWAQAANV
INSYGSALSAYGIMFLAGHFVFAFSLMFLFSGRGYWQELIESIVWAHNKL
NVAPAIQPRALSIIQGRAVGVAHYLLGGIVTTWAFFLARSLSIG
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 1 Residue 1109 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5oy0 Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis.
Resolution2.501 Å
Binding residue
(original residue number in PDB)		S24 F25 W28 H33 K71 S74 V82 L173 G176 W177 Y180 H181
Binding residue
(residue number reindexed from 1)		S17 F18 W21 H26 K64 S67 V75 L166 G169 W170 Y173 H174
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)

[Back to BioLiP]