Structure of PDB 7zm0 Chain H Binding Site BS01

Receptor Information
>7zm0 Chain H (length=220) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMQLKPMEINPEMLNKVLSRLGVAGQWRFVDVLGLEEESLGSVPAPACA
LLLLFPLTAQHENFRKKQIEELKGQEVSPKVYFMKQTIGNSCGTIGLIHA
VANNQDKLGFEDGSVLKQFLSETEKMSPEDRAKCFEKNEAIQAAHDAVAQ
EGQCRVNFHFILFNNVDGHLYELDGRMPFPVNHGASSEDTLLKDAAKVCR
EFTEREQGEVRFSAVALCKA
Ligand information
Ligand IDJMF
InChIInChI=1S/C21H24N6O2/c1-2-3-4-10-23-20(28)16-5-7-18(8-6-16)27-13-19(24-15-27)25-21(29)17-9-11-26(12-17)14-22/h1,5-8,13-15,17,22H,3-4,9-12H2,(H,23,28)(H,25,29)/b22-14+/t17-/m0/s1
InChIKeyKKFJHFIPJQGQCG-NIZGNDASSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N=CN1CC[C@@H](C1)C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C
OpenEye OEToolkits 2.0.7C#CCCCNC(=O)c1ccc(cc1)n2cc(nc2)NC(=O)C3CCN(C3)C=N
OpenEye OEToolkits 2.0.7[H]/N=C/N1CC[C@@H](C1)C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C
CACTVS 3.385N=CN1CC[CH](C1)C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C
FormulaC21 H24 N6 O2
Name(3S)-1-(iminomethyl)-N-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide;
(3S)-1-cyano-N-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide, reacted form of
ChEMBL
DrugBank
ZINC
PDB chain7zm0 Chain D Residue 301 [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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PDB7zm0 Structural basis for specific inhibition of the deubiquitinase UCHL1.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		V158 N159
Binding residue
(residue number reindexed from 1)		V156 N157
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.19.12: ubiquitinyl hydrolase 1.
Gene Ontology
Molecular Function
GO:0004197 cysteine-type endopeptidase activity
GO:0004843 cysteine-type deubiquitinase activity
GO:0005515 protein binding
GO:0008234 cysteine-type peptidase activity
GO:0008242 omega peptidase activity
GO:0031625 ubiquitin protein ligase binding
GO:0031694 alpha-2A adrenergic receptor binding
GO:0043022 ribosome binding
GO:0043130 ubiquitin binding
Biological Process
GO:0002176 male germ cell proliferation
GO:0002931 response to ischemia
GO:0006508 proteolysis
GO:0006511 ubiquitin-dependent protein catabolic process
GO:0007409 axonogenesis
GO:0007412 axon target recognition
GO:0007628 adult walking behavior
GO:0016241 regulation of macroautophagy
GO:0016579 protein deubiquitination
GO:0019896 axonal transport of mitochondrion
GO:0042755 eating behavior
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0043407 negative regulation of MAP kinase activity
GO:0045821 positive regulation of glycolytic process
GO:0050905 neuromuscular process
GO:0055001 muscle cell development
GO:0071466 cellular response to xenobiotic stimulus
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030424 axon
GO:0043025 neuronal cell body
GO:0044306 neuron projection terminus
GO:1904115 axon cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zm0, PDBe:7zm0, PDBj:7zm0
PDBsum7zm0
PubMed36216817
UniProtP09936|UCHL1_HUMAN Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Gene Name=UCHL1)

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