Structure of PDB 3d38 Chain L Binding Site BS03

Receptor Information
>3d38 Chain L (length=273) Species: 1079 (Blastochloris viridis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALLSFERKYRVRGGTLIGGDLFDFWVGPYFVGFFGVSAIFFIFLGVSLIG
YAASQGPTWDPFAISINPPDLKYGLGAAPLLEGGFWQAITVCALGAFISW
MLREVEISRKLGIGWHVPLAFCVPIFMFCVLQVFRPLLLGSWGHAFPYGI
LSHLDWVNNFGYQYLNWHYNPGHMSSVSFLFVNAMALGLHGGLILSVANP
GDGDKVKTAEHENQYFRDVVGYSIGALSIHRLGLFLASNIFLTGAFGTIA
SGPFWTRGWPEWWGWWLDIPFWS
Ligand information
Ligand IDBPB
InChIInChI=1S/C55H74N4O6/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/h13,25,27-32,34-35,40,51,57,59H,14-24,26H2,1-12H3/b33-25+,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,40+,51-/m1/s1
InChIKeySFKCKJXMIAKQMY-GTTFDWDMSA-N
SMILES
SoftwareSMILES
CACTVS 3.370COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C
CACTVS 3.370COC(=O)[C@H]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=C/C)/[C@H]6C)c(C(C)=O)c5C)[C@@H](C)[C@@H]4CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
ACDLabs 12.01O=C(OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)/C(=C/C)C5C)C)C6C
OpenEye OEToolkits 1.7.6CC=C1c2cc3c(c4c([nH]3)c(c5nc(cc6c(c(c([nH]6)cc(n2)C1C)C(=O)C)C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C
OpenEye OEToolkits 1.7.6C/C=C\1/c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C
FormulaC55 H74 N4 O6
NameBACTERIOPHEOPHYTIN B
ChEMBL
DrugBank
ZINC
PDB chain3d38 Chain L Residue 402 [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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PDB3d38 Simple host-guest chemistry to modulate the process of concentration and crystallization of membrane proteins by detergent capture in a microfluidic device.
Resolution3.21 Å
Binding residue
(original residue number in PDB)		I42 A93 W100 E104 F121 P124 Y148 I150 H153 A237 F241
Binding residue
(residue number reindexed from 1)		I42 A93 W100 E104 F121 P124 Y148 I150 H153 A237 F241
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042314 bacteriochlorophyll binding
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872 metal ion binding
Biological Process
GO:0009772 photosynthetic electron transport in photosystem II
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0016020 membrane
GO:0030077 plasma membrane light-harvesting complex
GO:0042717 plasma membrane-derived chromatophore membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3d38, PDBe:3d38, PDBj:3d38
PDBsum3d38
PubMed18831551
UniProtP06009|RCEL_BLAVI Reaction center protein L chain (Gene Name=pufL)

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