Structure of PDB 3vta Chain B Binding Site BS01

Receptor Information
>3vta Chain B (length=594) Species: 3656 (Cucumis melo) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTRSWDFLGFPLTVPRRSQVESNIVVGVLDTGIWPESPSFDDEGFSPPPP
KWKGTCETSNNFRCNRKIIGARSYHIGRPISPGDVNGPRDTNGHGTHTAS
TAAGGLVSQANLYGLGLGTARGGVPLARIAAYKVCWNDGCSDTDILAAYD
DAIADGVDIISLSVGGANPRHYFVDAIAIGSFHAVERGILTSNSAGNGGP
NFFTTASLSPWLLSVAASTMDRKFVTQVQIGNGQSFQGVSINTFDNQYYP
LVSGRDIPNTGFDKSTSRFCTDKSVNPNLLKGKIVVCEASFGPHEFFKSL
DGAAGVLMTSNTRDYADSYPLPSSVLDPNDLLATLRYIYSIRSPGATIFK
STTILNASAPVVVSFSSRGPNRATKDVIKPDISGPGVEILAAWPSVAPVG
GIRRNTLFNIISGTSMSCPHITGIATYVKTYNPTWSPAAIKSALMTTASP
MNARFNPQAEFAYGSGHVNPLKAVRPGLVYDANESDYVKFLRVWDLNYPS
FGLSVSPSQTFNQYFNRTLTSVAPQASTYRAMISAPQGLTISVNPNVLSF
NGLGDRKSFTLTVRGSIKGFVVSASLVWSDGVHYVRSPITITSL
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 chain3vta Chain B Residue 801 [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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PDB3vta Crystal structure of cucumisin, a subtilisin-like endoprotease from Cucumis melo L
Resolution2.75 Å
Binding residue
(original residue number in PDB)		H204 S273 V274 N307 S525
Binding residue
(residue number reindexed from 1)		H94 S163 V164 N197 S415
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D140
Catalytic site (residue number reindexed from 1) D30
Enzyme Commision number 3.4.21.25: cucumisin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3vta, PDBe:3vta, PDBj:3vta
PDBsum3vta
PubMed22841692
UniProtQ39547|CUCM1_CUCME Cucumisin

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