Structure of PDB 1s6f Chain A Binding Site BS02

Receptor Information
>1s6f Chain A (length=223) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRL
GEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRV
ATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKS
SYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQK
NKPGVYTKVCNYVNWIQQTIAAN
Ligand information
Ligand IDSBP
InChIInChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1
InChIKeyQHANCKHXGBJANE-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0B1(OCCO1)OCCCNC(=[NH2+])N
CACTVS 3.341NC(=[NH2+])NCCCOB1OCCO1
ACDLabs 10.04O(B1OCCO1)CCCNC(=[NH2+])\N
FormulaC6 H15 B N3 O3
Name[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
ChEMBL
DrugBankDB03129
ZINC
PDB chain1s6f Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s6f X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H57 D189 S190 C191 G193 S195 G216
Binding residue
(residue number reindexed from 1)		H40 D171 S172 C173 G175 S177 G194
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H40 D84 Q174 G175 D176 S177 G178
Enzyme Commision number 3.4.21.4: trypsin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0007586 digestion
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1s6f, PDBe:1s6f, PDBj:1s6f
PDBsum1s6f
PubMed15005618
UniProtP00761|TRYP_PIG Trypsin

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