PyMOL generated image of ligand binding residues prediction for T0949

Click here to download PDB file of this model with the superposition of all identified ligands.

Predicted ligand binding residues are shown as blue sticks in the image above.

Binding site: 84, 159, 166
Most likely ligands at each site (Type): CU
Centroid ligands at each site (TypeID): CU187
All ligands in clusters (Type-Frequency): ZN-1, CU-14, CU1-5
Likely+centroid ligands at each site: CU187
EC numbers: 3.6.3.4;
GO terms: 0005507;0009055;0004129;0016020;0022900;0042597;0046872;0005886;0009279;0055114;

JSmol view of ligand binding residues prediction for T0949

The server makes use of the FunFOLDQA Quality Assessment protocol for improved prediction selection:
Roche, D. B., Buenavista, M. T. & McGuffin, L. J. (2012) FunFOLDQA: A Quality Assessment Tool for Protein-Ligand Binding Site Residue Predictions. PLoS ONE, 7, e38219. PubMed

FunFOLDQA scores:

BDTalign = 0.4715006360594683
Identity = 0.4058824
Rescaled BLOSUM62 = 0.3578388
Equivalent Residue Ligand Distance = 0.40510967
Model Quality = 0.43831015
Predicted BDT score = 0.72601324
Predicted MCC score = 0.8585026

CAMEO-LB prediction format:

r=ALA; n=84; a=N; | I=0.32537; O=0.00000; N=0.00000; P=0.00000; | ZN=0.02849; CU=0.26882; CU1=0.02807;

r=ALA; n=84; a=CA; | I=0.65387; O=0.00000; N=0.00000; P=0.00000; | ZN=0.04483; CU=0.55543; CU1=0.05361;

r=ALA; n=84; a=C; | I=0.78251; O=0.00000; N=0.00000; P=0.00000; | ZN=0.05002; CU=0.66511; CU1=0.06738;

r=ALA; n=84; a=O; | I=0.83425; O=0.00000; N=0.00000; P=0.00000; | ZN=0.04946; CU=0.68192; CU1=0.10286;

r=ALA; n=84; a=CB; | I=0.41137; O=0.00000; N=0.00000; P=0.00000; | ZN=0.03092; CU=0.34984; CU1=0.03061;

r=ALA; n=84; a=H; | I=0.19767; O=0.00000; N=0.00000; P=0.00000; | ZN=0.01950; CU=0.16103; CU1=0.01715;

r=CYS; n=159; a=N; | I=0.24364; O=0.00000; N=0.00000; P=0.00000; | ZN=0.01043; CU=0.20200; CU1=0.03122;

r=CYS; n=159; a=CA; | I=0.58099; O=0.00000; N=0.00000; P=0.00000; | ZN=0.03104; CU=0.47805; CU1=0.07190;

r=CYS; n=159; a=C; | I=0.49573; O=0.00000; N=0.00000; P=0.00000; | ZN=0.02662; CU=0.38903; CU1=0.08008;

r=CYS; n=159; a=O; | I=0.58044; O=0.00000; N=0.00000; P=0.00000; | ZN=0.02932; CU=0.43105; CU1=0.12007;

r=CYS; n=159; a=CB; | I=0.79998; O=0.00000; N=0.00000; P=0.00000; | ZN=0.04464; CU=0.64262; CU1=0.11272;

r=CYS; n=159; a=SG; | I=0.86113; O=0.00000; N=0.00000; P=0.00000; | ZN=0.04913; CU=0.68511; CU1=0.12689;

r=CYS; n=159; a=H; | I=0.27095; O=0.00000; N=0.00000; P=0.00000; | ZN=0.01058; CU=0.21891; CU1=0.04146;

r=HIS; n=166; a=N; | I=0.31241; O=0.00000; N=0.00000; P=0.00000; | ZN=0.00729; CU=0.10805; CU1=0.19707;

r=HIS; n=166; a=CA; | I=0.48395; O=0.00000; N=0.00000; P=0.00000; | ZN=0.01609; CU=0.25735; CU1=0.21051;

r=HIS; n=166; a=C; | I=0.30943; O=0.00000; N=0.00000; P=0.00000; | ZN=0.00746; CU=0.13125; CU1=0.17072;

r=HIS; n=166; a=O; | I=0.22853; O=0.00000; N=0.00000; P=0.00000; | ZN=0.00528; CU=0.08629; CU1=0.13696;

r=HIS; n=166; a=CB; | I=0.86582; O=0.00000; N=0.00000; P=0.00000; | ZN=0.04112; CU=0.58891; CU1=0.23579;

r=HIS; n=166; a=CG; | I=0.89996; O=0.00000; N=0.00000; P=0.00000; | ZN=0.04376; CU=0.61472; CU1=0.24148;

r=HIS; n=166; a=CD2; | I=0.87917; O=0.00000; N=0.00000; P=0.00000; | ZN=0.04193; CU=0.60075; CU1=0.23649;

r=HIS; n=166; a=ND1; | I=0.82177; O=0.00000; N=0.00000; P=0.00000; | ZN=0.04072; CU=0.54387; CU1=0.23718;

r=HIS; n=166; a=CE1; | I=0.73480; O=0.00000; N=0.00000; P=0.00000; | ZN=0.03612; CU=0.47180; CU1=0.22688;

r=HIS; n=166; a=NE2; | I=0.77761; O=0.00000; N=0.00000; P=0.00000; | ZN=0.03695; CU=0.51393; CU1=0.22673;