Structure of PDB 9b5b Chain C Binding Site BS01

Receptor Information
>9b5b Chain C (length=377) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMDEYQRKIAYMYDRPEMAVNDAQLQLKVSRATTFEDAYDIISKLSVSD
MKKKLLIRFRNEDGLDYGGVSREFFYILSHAIFNPGYSLFEYATDDNYGL
QISPLSSVNPDFRSYFRFVGRVMGLAIYHRRYLDVQFVLPFYKRILQKPL
CLEDVKDVDEVYYESLKWIKNNDVDESLCLNFSVEENRFGESVTVDLIPN
GRNIAVNNQNKMNYLKALTEHKLVTSTEEQFNALKGGLNELIPDSVLQIF
NENELDTLLNGKRDIDVQDWKRFTDYRSYTETDDIVIWFWELLSEWSPEK
KAKLLQFATGTSRLPLSGFKDMHGSDGPRKFTIEKVGHISQLPKAHTCFN
RLDIPPYNSKEELEQKLTIAIQETAGF
Ligand information
Ligand IDA1AIV
InChIInChI=1S/C4H8N2/c5-3-1-2-4-6/h1-3,5H2
InChIKeyXGYKKVTZDQDYJQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC#N)CN
CACTVS 3.385NCCCC#N
ACDLabs 12.01N#CCCCN
FormulaC4 H8 N2
Name4-aminobutanenitrile
ChEMBL
DrugBank
ZINC
PDB chain9b5b Chain B Residue 101 [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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PDB9b5b Structural basis for transthiolation intermediates in the ubiquitin pathway
Resolution3.31 Å
Binding residue
(original residue number in PDB)		S616 C639
Binding residue
(residue number reindexed from 1)		S325 C348
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.26: HECT-type E3 ubiquitin transferase.
External links
PDB RCSB:9b5b, PDBe:9b5b, PDBj:9b5b
PDBsum9b5b
PubMed39143218
UniProtQ9UTG2|PUB2_SCHPO E3 ubiquitin-protein ligase pub2 (Gene Name=pub2)

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