Structure of PDB 7uea Chain U Binding Site BS06

Receptor Information
>7uea Chain U (length=364) Species: 194439 (Chlorobaculum tepidum TLS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFGSNDVTTAHSDYEIVLEGGSSSWGKVKARAKVNAPPASPLLPADCDVK
LNVKPLDPAKGFVRISAVFESIVDSTKNKLTIEADIANETKERRISVGEG
MVSVGDFSHTFSFEGSVVNLFYYRSDAVRRNVPNPIYMQGRQFHDILMKV
PLDNNDLIDTWEGTVKAIGSTGAFNDWIRDFWFIGPAFTALNEGGQRISR
IEVNGLNTESGPKGPVGVSRWRFSHGGSGMVDSISRWAELFPSDKLNRPA
QVEAGFRSDSQGIEVKVDGEFPGVSVDAGGGLRRILNHPLIPLVHHGMVG
KFNNFNVDAQLKVVLPKGYKIRYAAPQYRSQNLEEYRWSGGAYARWVEHV
CKGGVGQFEILYAQ
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 chain7uea Chain U Residue 406 [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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PDB7uea Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Resolution3.49 Å
Binding residue
(original residue number in PDB)		L53 V55 I67 A69 F71 R96 S98 F115 G117 V119 Q144 H146 I148 W184 F225 H227 S235 W239 A252 Q253 V254 F273
Binding residue
(residue number reindexed from 1)		L51 V53 I65 A67 F69 R94 S96 F113 G115 V117 Q142 H144 I146 W182 F223 H225 S233 W237 A250 Q251 V252 F271
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:7uea, PDBe:7uea, PDBj:7uea
PDBsum7uea
PubMed36192412
UniProtQ46393|BCPA_CHLTE Bacteriochlorophyll a protein (Gene Name=fmoA)

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