Structure of PDB 5rpg Chain A Binding Site BS01

Receptor Information
>5rpg Chain A (length=279) Species: 37998 (Parengyodontium album) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFE
GRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNG
SGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQS
SGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLD
IFGPGTDILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACR
YIADTANKGDLSNIPFGTVNLLAYNNYQA
Ligand information
Ligand IDAMH
InChIInChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-
InChIKeyGYDJEQRTZSCIOI-LJGSYFOKSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C1CCC(CN)CC1
CACTVS 3.341NC[C@@H]1CC[C@H](CC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CC(CCC1CN)C(=O)O
CACTVS 3.341NC[CH]1CC[CH](CC1)C(O)=O
FormulaC8 H15 N O2
NameTRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
ChEMBLCHEMBL877
DrugBankDB00302
ZINCZINC000100071256
PDB chain5rpg Chain A Residue 302 [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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PDB5rpg FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		K118 R121 C123 P124
Binding residue
(residue number reindexed from 1)		K118 R121 C123 P124
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D39 H69 N161 S224
Catalytic site (residue number reindexed from 1) D39 H69 N161 S224
Enzyme Commision number 3.4.21.64: peptidase K.
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:5rpg, PDBe:5rpg, PDBj:5rpg
PDBsum5rpg
PubMed34076593
UniProtP06873|PRTK_PARAQ Proteinase K (Gene Name=PROK)

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