Structure of PDB 4n7k Chain L Binding Site BS02

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 L Residue 305 [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)		A93 A96 W100 E104 I117 A120 F121 A124 Y148 H153 V241
Binding residue
(residue number reindexed from 1)		A93 A96 W100 E104 I117 A120 F121 A124 Y148 H153 V241
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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