Structural Bioinformatics Group
Division of Molecular Biosciences
Faculty of Natural Sciences


3DLigandSite -Ligand binding site prediction Server

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3DLigandSite Results

Submission Successful - Job-id: example3    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=example3

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: mw3@ic.ac.uk
Unique Job identifier: example3
Description: T0396 example
Date: Sat Feb 6 17:22:51 GMT 2010
Submission Type: sequence
Query Seq: GSMLHWGPKYWRSLHLYAIFFSDAPSWKEKYEAIQWILNFIESLPCTRCQHHAFSYLTKN
PLTLNNSEDFQYWTFAFHNNVNNRLNKKIISWSEYKNIYEQSILK

Structural Model
Phyre2 job: example3
Phyre2 template:c2hj3B_
Phyre2 confidence score:2.718231e-18
**** Warning very low confidence structural model predicted ****
Structural Search
confidence data from search of structural library with Mammoth
Average lnE:14.42
Maximum LnE:14.42
Min LnE:14.42

Ligand Clusters Identified
Note prediction based on first cluster
Click on other clusters to view the potential sites associated with them
MAMMOTH Scores
ClusterLigandsStructuresAvminmax
16614.414.414.4
26614.414.414.4

Predicted Binding Site
ResidueAmino
acid
contactav distanceJS
divergence
3MET60.110.00
4LEU60.000.21
7GLY60.040.54
8PRO60.340.38
10TYR60.190.26
11TRP60.000.89
15HIS60.020.84
40PHE60.000.39
44LEU60.180.58
48ARG20.960.20
49CYS60.000.81
52HIS60.000.56
53ALA30.840.55
75PHE60.060.61
77PHE0-0.24
78HIS60.000.86
79ASN60.000.81
81VAL60.290.67
82ASN60.000.75
85LEU60.090.57
87LYS60.000.43
88LYS10.980.35
90ILE60.000.00
92TRP60.270.00
95TYR50.630.00
98ILE60.230.00
99TYR60.000.00
Heterogens present in Predicted Binding Site
HeterogenCountsource structures
FAD 63gwn_A,3gwl_A,2hj3_B,1oqc_D,1jra_D,
1jr8_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

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Mark Wass