Structure of PDB 3eoj Chain A Binding Site BS01

Receptor Information
>3eoj Chain A (length=358) Species: 1102 (Prosthecochloris aestuarii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTAHSDYEIILEGGSSSWGQVKGRAKVNVPAAIPLLPTDCNIRIDAKPL
DAQKGVVRFTTKIESVVDSVKNTLNVEVDIANETKDRRIAVGEGSLSVGD
FSHSFSFEGSVVNMYYYRSDAVRRNIPNPIYMQGRQFHDILMKVPLDNND
LVDTWEGFQQSISGGGANFGDWIREFWFIGPAFAAINEGGQRISPIVVNS
SNVEGGKGPVGVTRWKFSHAGSGVVDSISRWTELFPVEQLNKPASIEGGF
RSDSQGIEVKVDGNLPGVSRDAGGGLRRILNHPLIPLVHHGMVGKFNDFT
VDTQLKIVLPKGYKIRYAAPQFRSQNLEEYRWSGGAYARWVEHVCKGGTG
QFEVLYAQ
Ligand information
Ligand IDBCL
InChIInChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1
InChIKeyDSJXIQQMORJERS-AGGZHOMASA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=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(=O)C)C
CACTVS 3.385[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O
CACTVS 3.385[Mg++].CC[C@@H]1[C@@H](C)C2=Cc3[n-]c(C=C4N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[C@@H]5C(=O)OC)C)c(C)c3C(C)=O
OpenEye OEToolkits 2.0.7CCC1C(C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=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(=O)C)C
FormulaC55 H74 Mg N4 O6
NameBACTERIOCHLOROPHYLL A
ChEMBL
DrugBankDB01853
ZINC
PDB chain3eoj Chain A Residue 371 [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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PDB3eoj The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		L103 F108 H110 F112 M149 V151 D157 L158 T161 W162 F165 F183 W184 W223
Binding residue
(residue number reindexed from 1)		L96 F101 H103 F105 M142 V144 D150 L151 T154 W155 F158 F176 W177 W215
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042314 bacteriochlorophyll binding
GO:0046872 metal ion binding
Biological Process
GO:0015979 photosynthesis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3eoj, PDBe:3eoj, PDBj:3eoj
PDBsum3eoj
PubMed19437128
UniProtP11741|BCPA_PROAE Bacteriochlorophyll a protein

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