Structure of PDB 3nwf Chain A Binding Site BS01

Receptor Information
>3nwf Chain A (length=605) Species: 10306 (Human alphaherpesvirus 1 strain KOS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIKAENTDANFYVCPPPTGATVVQFEQPRRCPTRPEGQNYTEGIAVVFKE
NIAPYKFKATMYYKDVTVSQVWFGHRYSQFMGIFEDRAPVPFEEVIDKIN
AKGVCRSTAKYVRNNLETTAFHRDDHETDMELKPANAATRTSRGWHTTDL
KYNPSRVEHRYGTTVNCIVEEVDARSVYPYDEFVLATGDFVYMSPFYGYR
EGSHTEHTSYAADRFKQVDGFYARDLTTKARATAPTTRNLLTTPKFTVAW
DWVPKRPSVCTMTKWQEVDEMLRSEYGGSFRFSSDAISTTFTTNLTEYPL
SRVDLGDCIGKDARDAMDRIFARRYNATHIKVGQPQYYLANGGFLIAYQP
LLSNTLAELYVREHLREQSRKPVERIKTTSSIEFARLQFTYNHIQRHVND
MLGRVAIAWCELQNHELTLWNEARKLNPNAIASVTVGRRVSARMLGDVMA
VSTCVPVAADNVIVQNSMRISSRPGACYSRPLVSFRYEDQGPLVEGQLGE
NNELRLTRDAIEPCTVGHRRYFTFGGGYVYFEEYAYSHQLSRADITTVST
FIDLNITMLEDHEFVPLEVYTRHEIKDSGLLDYTEVQRRNQLHDLRFADI
DTVIH
Ligand information
Ligand IDMRY
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
InChIKeyUNXHWFMMPAWVPI-ZXZARUISSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)CO
OpenEye OEToolkits 1.5.0C(C(C(CO)O)O)O
ACDLabs 10.04OCC(O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](CO)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)CO
FormulaC4 H10 O4
NameMESO-ERYTHRITOL
ChEMBLCHEMBL349605
DrugBankDB04481
ZINCZINC000017971067
PDB chain3nwf Chain A Residue 4000 [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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PDB3nwf Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R708 N709 H712
Binding residue
(residue number reindexed from 1)		R589 N590 H593
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3nwf, PDBe:3nwf, PDBj:3nwf
PDBsum3nwf
PubMed20943984
UniProtP06437|GB_HHV1K Envelope glycoprotein B (Gene Name=gB)

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