Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)

[Back to BioLiP]

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417