Structure of PDB 8jvl Chain A Binding Site BS01

Receptor Information
>8jvl Chain A (length=153) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMQRASRLKRELHMLATEPPPGITCWQDKDQMDDLRAQILGGANTPYEKG
VFKLEVIIPERYPFEPPQIRFLTPIYHPNIDSAGRICLDVLKLPPKGAWR
PSLNIATVLTSIQLLMSEPNPDDPLMADISSEFKYNKPAFLKNARQWTEK
HAR
Ligand information
Ligand IDV5L
InChIInChI=1S/C8H8N4O/c1-13-8-4-2-7(3-5-8)12-6-9-10-11-12/h2-6H,1H3
InChIKeyAIOWTKRICIGKFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1ccc(cc1)n2cnnn2
FormulaC8 H8 N4 O
Name1-(4-methoxyphenyl)-1,2,3,4-tetrazole
ChEMBL
DrugBank
ZINCZINC000000055392
PDB chain8jvl Chain A Residue 201 [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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PDB8jvl Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		C86 D88 K95 D122
Binding residue
(residue number reindexed from 1)		C87 D89 K96 D123
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.23: E2 ubiquitin-conjugating enzyme.
External links
PDB RCSB:8jvl, PDBe:8jvl, PDBj:8jvl
PDBsum8jvl
PubMed37979329
UniProtQ9NPD8|UBE2T_HUMAN Ubiquitin-conjugating enzyme E2 T (Gene Name=UBE2T)

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