Structural Bioinformatics Group
Division of Molecular Biosciences
Faculty of Natural Sciences


3DLigandSite -Ligand binding site prediction Server

Home     About     News     Help     FAQ     Example     Contact     Disclaimer
 

3DLigandSite Results

Submission Successful - Job-id: 8ce9f8caffc285eb    Current Status: STATUS:finished


All Jobs are run on a queue system. You will receive an email confirming submission and one once 3dLigandSite has run. Jobs generally take between 1-3 hours to complete depending on complexity and server load.
you can also view your job's progress and results on this page It will refresh every 30 second until the job is completed
You can bookmark this page: http://www.sbg.bio.imperial.ac.uk/3dligandsite/3dligand_report_p2.cgi?jobid=8ce9f8caffc285eb

Please cite: Wass M.N., Kelley L.A. and Sternberg M.J. (2010) 3DLigandSite: predicting ligand-binding sites using similar structures.NAR 38, W469-73. PubMed

The structural library currently used by 3DLigandSite is based on the PDB as of 20 January 2010

Submission Details
Email: mark@wass.com
Unique Job identifier: 8ce9f8caffc285eb
Description: eg4
Date: Tue Sep 20 11:36:45 BST 2011
Submission Type: sequence
Query Seq: GLAACEGEYSQKYSTMSPLGSGAFGFVWTAVDKEKNKEVVVKFIKKEKVLEDCWIEDPKL
GKVTLEIAILSRVEHANIIKVLDIFENQGFFQLVMEKHSGLDLFAFIDRHPRLDEPLASY
IFRQLVSAVGYLRLKDIIHRDIKDENIVIAEDFTIKLIDFGSAAYLERGKLFYTFCGTIE
YCAPEVLMGNPYRGPELEMWSLGVTLYTLVFEENPFCELEETVEAAIHPPYLVSKELMSL
VSGLLQPVPERRTTLEKLVTDPWVTQPVNLADYTWEEVFRVNKPESGVLSAASLEMGNRS
LSDVAQAQELCGGE

Structural Model
Phyre2 job: 8ce9f8caffc285eb
Phyre2 template:3dlsA_
Phyre2 confidence score: 100.0
Structural Search
confidence data from search of structural library with Mammoth
Average lnE:29.965
Maximum LnE:34.64
Min LnE:28.45

Ligand Clusters Identified
Note prediction based on first cluster
Click on other clusters to view the potential sites associated with them
MAMMOTH Scores
ClusterLigandsStructuresAvminmax
1332230.028.434.6
22228.528.428.6
32228.528.428.6
41128.728.728.7

Predicted Binding Site
ResidueAmino
acid
contactav distanceJS
divergence
19LEU170.030.62
20GLY170.050.76
21SER170.150.34
27VAL170.290.79
40VAL170.010.72
42LYS220.150.84
79ILE160.330.54
95MET150.190.60
96GLU170.310.82
97LYS130.340.65
98HIS150.340.53
100GLY100.020.70
101LEU170.000.00
102ASP170.100.76
103LEU230.090.60
145GLU180.070.83
146ASN220.090.87
148VAL90.400.65
158ILE170.080.49
159ASP310.020.85
Heterogens present in Predicted Binding Site
HeterogenCountsource structures
STU 91yhs_A,3ckx_A,1u59_A,1qpd_A,1qpj_A,
2dq7_X,3cd3_A,3bkb_A,3cbl_A
ADP 63dls_F,3d5w_A,1ol7_A,1mq4_A,1ol5_A,
2g2i_B
MG 162ou7_A,3dls_F,1xr1_A,3f2a_A,1ol7_A,
2v7a_B,1mq4_A,1ol5_A,3cly_A
AMP 11yxu_C
ATP 11ql6_A

Structural View of Prediction

Download model and pymol Script (gzip)
Download model
Download pymol Script

Display Modification

Whole protein

Predicted residues

Heterogens


View

Prediction colour legend:Other residuesPredicted Binding Site
Conservation Score Colour legend: 0-0.15 0.16-0.30 0.31-0.40 0.41-0.50
0.51-0.60 0.61-0.70 0.71-0.80 0.81-1.00

Home     About     News     Help     FAQ     Example     Contact     Disclaimer
© Structural Bioinformatics Group, Imperial College, London
Mark Wass