[Back]

COACH results for job QHD43421

Download the submitted query structure file

COACH Results
Hide

Click to viewRankC-scoreCluster
size		 PDB
Hit		 Lig
Name		 Download
Complex		 Consensus Binding Residues
10.04 2 5hc9B MG Rep, Mult 16,18,72,74
20.04 2 1aozB NAG Rep, Mult 29,46,54
30.04 2 1wmrA NAG Rep, Mult 38,67,69,70
40.04 2 3srgA CA Rep, Mult 33,73
50.04 2 3u32N DCW Rep, Mult 102,109
60.04 2 3shyA MG N/A 47,69
70.02 1 3tijA DMU Rep, Mult 101,108
80.02 1 N/A N/A N/A 21,29,30,31,40,42,43,44,47,54,56,57,59,61,62,63,77
90.02 1 1asqA AZI Rep, Mult 41,64,66
100.02 1 2cl5B BU3 N/A 32,33


Download the residue-specific binding probability, which is estimated by SVM.
Download the predicted bound ligands and detailed prediction summary.
Download the templates clustering results.
(a)C-score is the confidence score of the prediction. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)Cluster size is the total number of templates in a cluster.
(c)Lig Name is the name of possible binding ligand. Click the ligand name to view its information in the BioLiP database.
(d)Rep is a single complex structure with the most representative ligand in the cluster, i.e., the one listed in the Lig Name column.
Mult is the complex structures with all potential binding ligands in the cluster.
 
TM-SITE Results
Hide

Click to viewRankC-scoreaCluster
sizeb		 Rep
Templc		 Mult
Templd		 Ligandse Predicted binding site residues
10.21 2 5hc9B_BS02_MG Download MG(1),MAN(1) 16,18,72,74
20.18 1 3srgA_BS04_CA Download CA(1) 33,73
30.18 2 3u32L_BS02_DCW Download DCW(2) 105,109
40.16 1 4ckvX_BS01_ZN Download ZN(1) 22,78
50.15 1 4pj0B_BS01_III Download III(1) 109,113

(a)C-score is the confidence score of predicted binding site. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)Cluster size is the number of templates in a cluster.
(c)Rep Templ presents a representaive ligand-protein template from a cluster. The template names are: (PDBIDchain)_(BioLiP site #)_(Ligand ID). Click the corresponding template to download the structure.
(d)Mult Templ provides all ligand-protein complex structures in a cluster, where each ligand is separated by "TER".
(e)Ligands lists all ligands in a cluster. The numbers in the parentheses are the appearing times of the corresponding ligands. Click the ligand name to visualize its detailed information in BioLiP.
 
S-SITE Results
Hide

Click to view Rank C-scoreaCluster
sizeb		 Templatesc Ligandsd Predicted binding site residues
1 0.19 3 List MG(1),MAN(1),CA(1) 39,40,47,52,69
2 0.19 3 List ZN(2),BU3(1) 15,23,31,32,33,35,67,73
3 0.15 1 List FMP(1) 19,20
4 0.15 1 List III(1) 40,43
5 0.14 1 List 5AX(1) 19,26

(a)C-score is the confidence score of predicted binding site. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)Cluster size is the number of templates in a cluster.
(c)Templates presents the list of templates in a cluster. The template names are: (PDBIDchain)_(BioLiP site #)_(Ligand ID). Click the corresponding template to search the BioLiP database. When the number of templates is >5, click "show all templates" to get the list of all templates in the cluster
(d)Ligands lists ligands in a cluster. The numbers in the parentheses are the appearing times for the corresponding ligands. Click the ligand name to visualize its detailed information in BioLiP.
 
COFACTOR Results
Hide

Click to viewRankC-scoreaPDB
Hit		TM-scoreRMSDbIDENcCovdBS-scoreeLig. NameDownload
Complex		 Predicted binding site residues
10.021asqA0.516 4.020.0680.8100.63AZIDownload41,64,66
20.011aozB0.518 4.090.0690.8100.63NAGDownload29,46,54
30.011wmrA0.562 3.750.0340.8680.72NAGDownload38,67,69,70
40.003t6wA0.515 3.970.0250.7930.71CBSDownload66,70

(a)C-score is the confidence score of predicted binding site. C-score values range in between [0-1]; where a higher score indicates a more reliable prediction.
(b)RMSD the RMSD between residues that are structurally aligned by TM-align.
(c)IDEN is the percentage sequence identity in the structurally aligned region.
(d)Cov represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.
(e)BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
 
FINDSITE Results
Hide

Click to viewRankC-scoreaCluster
sizeb		Rep
Templc		 Multi
Templd		 Ligandse Predicted binding site residues
10.25 1 2H6OA11 List download 37,68
20.25 1 2H6OA10 List download 26
30.25 1 2H6OA02 List download 2,6
40.25 1 2H6OA00 List download 59

(a)C-score is the confidence score of predicted binding site. C-score values range in between [0-1]; where a higher score indicates a more reliable prediction.
(b)Cluster size is the number of templates in a cluster
(c)Rep Templ presents a representaive ligand-protein template from a cluster. The template names are: (PDBID)(chain)(Ligand #). The ligands have been renamed by FINDSITE as 2-digit numbers. Click the corresponding template to download the structure.
(d)Mult Templ provides the list of all templates in a cluster.
(e)Ligands presents the structures of all ligands in a cluster.
 
ConCavity Results
Hide

Click to viewRank C-score Predicted binding residues
1 0.13 21,29,30,31,40,42,43,44,47,54,56,57,59,61,62,63,77
2 0.08 33,35,37,38,40,49,52,53




Please cite the following articles when you use the COACH server:
1. Jianyi Yang, Ambrish Roy and Yang Zhang, Protein-ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment, Bioinformatics, 29: 2588-2595 (2013) (download the PDF file)
2. Jianyi Yang, Ambrish Roy and Yang Zhang, BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions., Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).