Structure of PDB 4v08 Chain A Binding Site BS01

Receptor Information
>4v08 Chain A (length=213) Species: 10345 (Suid alphaherpesvirus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGPVYVSGYLALYDRDGGELALTREIVAAALPPAGPLPINIDHRPRCDIG
AVLAVVDDDRGPFFLGVVNCPQLGAVLARAVGPDFFGDMRLSDEERLLYL
LSNYLPSASLSSRRAPDETLFAHVALCVIGRRVGTIVVYDASPEAAVAPF
RQLSARARSELLARAAESPDRERVWHMSEEALTRALLSTAVNNMLLRDRW
ELVAARRREAGVR
Ligand information
Ligand IDDFP
InChIInChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
InChIKeyBLKXLEPPVDUHBY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)O[PH](=O)OC(C)C
OpenEye OEToolkits 1.5.0CC(C)OP(=O)OC(C)C
ACDLabs 10.04O=P(OC(C)C)OC(C)C
FormulaC6 H15 O3 P
NameDIISOPROPYL PHOSPHONATE
ChEMBL
DrugBankDB04491
ZINCZINC000100018862
PDB chain4v08 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4v08 Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease
Resolution2.03 Å
Binding residue
(original residue number in PDB)		S109 L110 G135 R136
Binding residue
(residue number reindexed from 1)		S109 L110 G130 R131
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H43 S109 S111 H128 R136 R137
Catalytic site (residue number reindexed from 1) H43 S109 S111 H123 R131 R132
Enzyme Commision number 3.4.21.97: assemblin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:4v08, PDBe:4v08, PDBj:4v08
PDBsum4v08
PubMed26161660
UniProtQ83417|SCAF_SUHVK Capsid scaffolding protein

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