Structure of PDB 4n7k Chain L Binding Site BS07

Receptor Information
>4n7k Chain L (length=281) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILIA
WSAVLQGTWNPQLISVYPPALEYGLGGAPLAKGGLWQIITICATGAFVSW
ALREVEICRKLGIGYHIPFAFAFAILAYLTLVLFRPVMMGAWGYAFPYGI
WTHLDWVSNTGYTYGNFHYNPAHMIAISFFFTNALALALHGALVLSAANP
EKGKEMRTPDHEDTFFRDLVGYSIGTLGIHRLGLLLSLSAVFFSALCMII
TGTIWFDQWVDWWQWWVKLPWWANIPGGING
Ligand information
Ligand ID2GO
InChIInChI=1S/C55H72N4O6.Zn/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;/h25,27-32H,13-24,26H2,1-12H3,(H3,56,57,58,59,60,62,63);/q;+2/p-2/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-;/t31-,32-;/m1./s1
InChIKeyWIUVDOQKCIQUQM-HCIDKWDRSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)C(=O)OC)C9=[N]6C(=C4)C(=C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C
OpenEye OEToolkits 1.7.6CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)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
ACDLabs 12.01O=C(OC)C=3C=2C=1C(=C(C=4N=1[Zn]86N9C=2C(C=3O)=C(C9=CC=7C(=C(C(=Cc5c(C(=O)C)c(c(C=4)n56)C)N=78)C)CC)C)C)CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Zn]5|6|N2=C1C=c7n5c8=C(C9=N|6C(=Cc4c(C)c3C(C)=O)C(=C9CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=C(O)c8c7C)C(=O)OC
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Zn]5|6|N2=C1C=c7n5c8=C(C9=N|6C(=Cc4c(C)c3C(C)=O)C(=C9CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C)C(=C(O)c8c7C)C(=O)OC
FormulaC55 H70 N4 O6 Zn
Name[methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc
ChEMBL
DrugBank
ZINC
PDB chain4n7k Chain M Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4n7k Structural and kinetic properties of Rhodobacter sphaeroides photosynthetic reaction centers containing exclusively Zn-coordinated bacteriochlorophyll as bacteriochlorin cofactors.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		F181 L185 L189
Binding residue
(residue number reindexed from 1)		F181 L185 L189
Annotation score1
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:4n7k, PDBe:4n7k, PDBj:4n7k
PDBsum4n7k
PubMed24316146
UniProtP0C0Y8|RCEL_CERSP Reaction center protein L chain (Gene Name=pufL)

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