Structure of PDB 5wjh Chain A Binding Site BS02

Receptor Information
>5wjh 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 IDMHA
InChIInChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
InChIKeyQZTKDVCDBIDYMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)CN(CC(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)N)N(CC(=O)O)CC(=O)O
ACDLabs 10.04O=C(O)CN(CC(=O)N)CC(=O)O
FormulaC6 H10 N2 O5
Name(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID;
N-(2-ACETAMIDO)IMINODIACETIC ACID
ChEMBL
DrugBankDB02810
ZINCZINC000002545127
PDB chain5wjh Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wjh Using sound pulses to solve the crystal-harvesting bottleneck.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		H69 N161 S221 G222 S224
Binding residue
(residue number reindexed from 1)		H69 N161 S221 G222 S224
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:5wjh, PDBe:5wjh, PDBj:5wjh
PDBsum5wjh
PubMed30289409
UniProtP06873|PRTK_PARAQ Proteinase K (Gene Name=PROK)

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