Structure of PDB 1n6d Chain B Binding Site BS03

Receptor Information
>1n6d Chain B (length=1023) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPNLLLNPDIHGDRIIFVCCDDLWEHDLKSGSTRKIVSNLGVINNARFFP
DGRKIAIRVMRGSSLNTADLYFYNGENGEIKRITYFSGKSTGRRMFTDVA
GFDPDGNLIISTDAMQPFSSMTCLYRVENDGINFVPLNLGPATHILFADG
RRVIGRNTFELPHWKGYRGGTRGKIWIEVNSGAFKKIVDMSTHVSSPVIV
GHRIYFITDIDGFGQIYSTDLDGKDLRKHTSFTDYYPRHLNTDGRRILFS
KGGSIYIFNPDTEKIEKIEIGDLESPEDRIISIPSKFAEDFSPLDGDLIA
FVSRGQAFIQDVSGTYVLKVPEPLRIRYVRRGGDTKVAFIHGTREGDFLG
IYDYRTGKAEKFEENLGNVFAMGVDRNGKFAVVANDRFEIMTVDLETGKP
TVIERSREAMITDFTISDNSRFIAYGFPLKHGETDGYVMQAIHVYDMEGR
KIFAATTENSHDYAPAFDADSKNLYYLSYRSLDPSPDRVVLNFSFEVVSK
PFVIPLIPGSPNPTKLVPRSMTSEAGEYDLNDMYKRSSPINVDPGDYRMI
IPLESSILIYSVPVHGEFAAYYQGAPEKGVLLKYDVKTRKVTEVKNNLTD
LRLSADRKTVMVRKDDGKIYTFPLEKPEDERTVETDKRPLVSSIHEEFLQ
MYDEAWKLARDNYWNEAVAKEISERIYEKYRNLVPLCKTRYDLSNVIVEM
QGEYRTSHSYEMGGTFTDKDPFRSGRIACDFKLDGDHYVVAKAYAGDYSN
EGEKSPIFEYGIDPTGYLIEDIDGETVGAGSNIYRVLSEKAGTSARIRLS
GKGGDKRDLMIDILDDDRFIRYRSWVEANRRYVHERSKGTIGYIHIPDMG
MMGLNEFYRLFINESSYQGLIVDVRFNGGGFVSQLIIEKLMNKRIGYDNP
RRGTLSPYPTNSVRGKIIAITNEYAGSDGDIFSFSFKKLGLGKLIGTRTW
GGVVGITPKRRLIDGTVLTQPEFAFWFRDAGFGVENYGVDPDVEIEYAPH
DYLSGKDPQIDYAIDALIEELRN
Ligand information
Ligand IDCHM
InChIInChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
InChIKeySUNMBRGCANLOEG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)CCl)Cl
CACTVS 2.87ClCC(=O)CCl
FormulaC3 H4 Cl2 O
Name1,3-DICHLORO-PROPAN-2-ONE;
Bis(chloromethyl) ketone
ChEMBLCHEMBL1231783
DrugBank
ZINCZINC000001648213
PDB chain1n6d Chain H Residue 1105 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1n6d Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease from Thermoplasma acidophilum
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H746 S965
Binding residue
(residue number reindexed from 1)		H708 S927
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.-
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1n6d, PDBe:1n6d, PDBj:1n6d
PDBsum1n6d
PubMed12470958
UniProtP96086|TRI_THEAC Tricorn protease (Gene Name=tri)

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