Structure of PDB 4zhm Chain U Binding Site BS02

Receptor Information
>4zhm Chain U (length=247) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFID
YPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAYHNDIAL
LKIRSKEGRCAQPSRTIQTIALPSMYNDPQFGTSCEITGFGKEQSTDYLY
PEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGG
PLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKE
Ligand information
Ligand IDMRZ
InChIInChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)
InChIKeyQUUYRYYUKNNNNS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=N)N1CCCCC1
OpenEye OEToolkits 1.9.2[H]/N=C(\N)/N1CCCCC1
OpenEye OEToolkits 1.9.2C1CCN(CC1)C(=N)N
ACDLabs 12.01[N@H]=C(N)N1CCCCC1
FormulaC6 H13 N3
Namepiperidine-1-carboximidamide
ChEMBLCHEMBL103102
DrugBank
ZINCZINC000000159755
PDB chain4zhm Chain P Residue 100 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zhm Selection of High-Affinity Peptidic Serine Protease Inhibitors with Increased Binding Entropy from a Back-Flip Library of Peptide-Protease Fusions.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D189 S190 G216 G219
Binding residue
(residue number reindexed from 1)		D192 S193 G219 G221
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.73: u-plasminogen activator.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:4zhm, PDBe:4zhm, PDBj:4zhm
PDBsum4zhm
PubMed26281711
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

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