Structure of PDB 3nwf Chain B Binding Site BS01

Receptor Information
>3nwf Chain B (length=596) Species: 10306 (Human alphaherpesvirus 1 strain KOS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANFYVCPPPTGATVVQFEQPRRCPTRPEGQNYTEGIAVVFKENIAPYKFK
ATMYYKDVTVSQVWFGHRYSQFMGIFEDRAPVPFEEVIDKINAKGVCRST
AKYVRNNLETTAFHRDDHETDMELKPANAATRTSRGWHTTDLKYNPSRVH
RYGTTVNCIVEEVDARSVYPYDEFVLATGDFVYMSPFYGYREGSHTEHTS
YAADRFKQVDGFYARDLTTKARATAPTTRNLLTTPKFTVAWDWVPKRPSV
CTMTKWQEVDEMLRSEYGGSFRFSSDAISTTFTTNLTEYPLSRVDLGDCI
GKDARDAMDRIFARRYNATHIKVGQPQYYLANGGFLIAYQPLLSNTLAEL
YVREHLREQSRKPVERIKTTSSIEFARLQFTYNHIQRHVNDMLGRVAIAW
CELQNHELTLWNEARKLNPNAIASVTVGRRVSARMLGDVMAVSTCVPVAA
DNVIVQNSMRISSRPGACYSRPLVSFRYEDQGPLVEGQLGENNELRLTRD
AIEPCTVGHRRYFTFGGGYVYFEEYAYSHQLSRADITTVSTFIDLNITML
EDHEFVPLEVYTRHEIKDSGLLDYTEVQRRNQLHDLRFADIDTVIH
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 B 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)		A237 A240 T243 S244 R245 G246
Binding residue
(residue number reindexed from 1)		A127 A130 T133 S134 R135 G136
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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