Structure of PDB 3nwa Chain B Binding Site BS01

Receptor Information
>3nwa Chain B (length=607) 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
NIAPYKFKATMYYKDVTVSQVRFGHRYSQFMGIFEDRAPVPFEEVIDKIN
AKGVCRSTAKYVRNNLETTAFHRDDHETDMELKPANAATRTSRGWHTTDL
KYNPSRVEAFHRYGTTVNCIVEEVDARSVYPYDEFVLATGDFVYMSPFYG
YREGSHTEHTSYAADRFKQVDGFYARDLTTKARATAPTTRNLLTTPKFTV
AWDWVPKRPSVCTMTKWQEVDEMLRSEYGGSFRFSSDAISTTFTTNLTEY
PLSRVDLGDCIGKDARDAMDRIFARRYNATHIKVGQPQYYLANGGFLIAY
QPLLSNTLAELYVREHLREQSRKPVERIKTTSSIEFARLQFTYNHIQRHV
NDMLGRVAIAWCELQNHELTLWNEARKLNPNAIASVTVGRRVSARMLGDV
MAVSTCVPVAADNVIVQNSMRISSRPGACYSRPLVSFRYEDQGPLVEGQL
GENNELRLTRDAIEPCTVGHRRYFTFGGGYVYFEEYAYSHQLSRADITTV
STFIDLNITMLEDHEFVPLEVYTRHEIKDSGLLDYTEVQRRNQLHDLRFA
DIDTVIH
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 chain3nwa Chain B Residue 2000 [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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PDB3nwa Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1.
Resolution2.2629 Å
Binding residue
(original residue number in PDB)		Y165 R189
Binding residue
(residue number reindexed from 1)		Y63 R87
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3nwa, PDBe:3nwa, PDBj:3nwa
PDBsum3nwa
PubMed20943984
UniProtP06437|GB_HHV1K Envelope glycoprotein B (Gene Name=gB)

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