Target name

P98170: E3 ubiquitin-protein ligase XIAP


  Protein function

Multi-functional protein which regulates not only caspases and apoptosis, but also modulates inflammatory signaling and immunity, copper homeostasis, mitogenic kinase signaling, cell proliferation, as well as cell invasion and metastasis. Acts as a direct caspase inhibitor. Directly bind to the active site pocket of CASP3 and CASP7 and obstructs substrate entry. Inactivates CASP9 by keeping it in a monomeric, inactive state. Acts as an E3 ubiquitin-protein ligase regulating NF-kappa-B signaling and the target proteins for its E3 ubiquitin-protein ligase activity include: RIPK1, CASP3, CASP7, CASP8, CASP9, MAP3K2/MEKK2, DIABLO/SMAC, AIFM1, CCS and BIRC5/survivin. Ubiquitinion of CCS leads to enhancement of its chaperone activity toward its physiologic target, SOD1, rather than proteasomal degradation. Ubiquitinion of MAP3K2/MEKK2 and AIFM1 does not lead to proteasomal degradation. Plays a role in copper homeostasis by ubiquitinationg COMMD1 and promoting its proteasomal degradation. Can also function as E3 ubiquitin-protein ligase of the NEDD8 conjugation pathway, targeting effector caspases for neddylation and inactivation. Regulates the BMP signaling pathway and the SMAD and MAP3K7/TAK1 dependent pathways leading to NF-kappa-B and JNK activation. Acts as an important regulator of innate immune signaling via regulation of Nodlike receptors (NLRs). Protects cells from spontaneous formation of the ripoptosome, a large multi-protein complex that has the capability to kill cancer cells in a caspase-dependent and caspase-independent manner. Suppresses ripoptosome formation by ubiquitinating RIPK1 and CASP8. Acts as a positive regulator of Wnt signaling and ubiquitinates TLE1, TLE2, TLE3, TLE4 and AES. Ubiquitination of TLE3 results in inhibition of its interaction with TCF7L2/TCF4 thereby allowing efficient recruitment and binding of the transcriptional coactivator beta-catenin to TCF7L2/TCF4 that is required to initiate a Wnt-specific transcriptional program.

  Database links

Uniprot primary ID P98170
PDB ID 1C9Q 1I51 1KMC 1TFQ 1F9X 4J46 4J47 4J44 2POP 1G3F 3CLX 4J48 4HY0 4OXC 1I4O 3UW5 1TFT 4MTZ 5C7A 2ECG 5C7C 3EYL 2VSL 3G76 5C3H 5C3K 4KJU 4KJV 2OPY 4IC2 4IC3 4J45 3HL5 4KMP 2KNA 2OPZ 2QRA 4J3Y 1G73 2POI 3UW4 5C0K 5C0L 2JK7 4WVU 4EC4 4WVS 5C83 5C84 4WVT 5C7D
DrugBank ID
BioGrid ID 106828
GuidetoPHARMACOLOGY ID 2790
PharmGKB ID PA25361
KEGG ID hsa:331
DIP ID DIP-27626N
STRING ID 9606.ENSP00000347858
IntAct ID P98170
DMDM 12643387
BRENDA
Reactome R-HSA-111464 R-HSA-5213460 R-HSA-3769402 R-HSA-5675482 R-HSA-111463
SignaLink P98170
BioCyc
Entrez Gene (Gene ID) 331
BindingDB P98170

  Model Performance Metrics

Fingerprint type Sensitivity SEN_std Specificity SPE_std Accuracy ACC_std F1-score F1-score_std AUC AUC_std MCC MCC_std Download model
FP2 fingerprints 0.893 0.005 0.917 0.005 0.905 0.005 0.901 0.003 0.950 0.000 0.808 0.006 Download
Estate fingerprints 0.945 0.005 0.835 0.004 0.890 0.005 0.895 0.005 0.946 0.005 0.783 0.008 Download
MACCS fingerprints 0.905 0.005 0.919 0.004 0.912 0.004 0.912 0.004 0.966 0.005 0.826 0.005 Download
Daylight fingerprints 0.835 0.005 0.965 0.000 0.900 0.000 0.891 0.003 0.948 0.004 0.804 0.005 Download
ECFP2 fingerprints 0.948 0.006 0.968 0.003 0.958 0.004 0.958 0.004 0.990 0.000 0.913 0.007 Download
ECFP4 fingerprints 0.948 0.004 0.988 0.000 0.968 0.004 0.962 0.004 0.990 0.000 0.932 0.004 Download
ECFP6 fingerprints 0.936 0.005 0.984 0.000 0.960 0.000 0.960 0.000 0.990 0.000 0.920 0.000 Download

  Download datasets

Positive dataset Negative dataset


Copyright @ 2012-2014 Computational Biology & Drug Design Group,
School of Pharmaceutical Sciences, Central South University. All rights reserved.

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