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সর্ব-শেষ হাল-নাগাদ: ২১st অক্টোবর ২০১৬

Predicted Binding sites

Back to: Therapeutic targets Menu See also: 5. Experimental structures: 5.1 Available 3D structure 5.2 Modeling and validation 5.2.1 Predicted binding sites

5.2.1 Predicted binding sites

Accession ID	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Predicted binding site residues
AAW36232.1	0.20	2au3A	0.661	0.62	0.279	0.664	1.53	ZN	37,40,58,61
	0.02	1nuiB	0.291	3.22	0.168	0.324	1.17	MG	254,298,300
	0.01	1lm1A	0.265	7.80	0.065	0.428	0.78	F3S	187,188,189,190,191,192,193,222
AAW35724.1	0.14	3ne8A	0.316	1.76	0.332	0.326	1.70	ZN	442,459,512,514,548
	0.01	1tkrB	0.264	7.22	0.060	0.384	0.88	Mul.Part	349,382,384,385,386
	0.01	2ripA	0.246	7.85	0.059	0.381	1.07	Mul.Part	350,351,352,380,381,382
	0.01	2bgrA	0.266	7.29	0.068	0.389	0.93	Mul.Part	339,347,383,384,385
	0.01	1x70A	0.265	7.26	0.062	0.387	1.06	Mul.Part	350,380,381,382
AAW35664.1	0.08	2dqbF	0.242	4.76	0.164	0.296	1.27	MG	365,366,380,403,404
AAW35664.1	0.04	2dqbC	0.242	4.67	0.164	0.294	0.88	MG	331,336,366,421
AAW35702.1	0.04	2nrxA	0.238	2.43	0.203	0.253	1.49	SO4	435,463,464,465,466
	0.03	2nrvB	0.237	2.51	0.219	0.253	0.89	NA	398,399,461
	0.02	2nrxB	0.234	2.42	0.195	0.248	1.31	SO4	425,427,444,448,449
	0.01	3gocB	0.209	3.84	0.074	0.243	0.94	YES	446,447,449,453,454,455,481
	0.01	3f93D	0.204	5.76	0.032	0.270	0.84	NA	438,439,442,469,470,472
	0.01	2xt6A	0.215	7.06	0.029	0.318	0.80	TPP	398,440,461,466
AAW35927.1	0.60	2fniA	0.913	1.93	0.438	0.963	1.68	PLP	53,54,55,78,79,152,154,155,176,181,188,314
	0.60	2fnuB	0.914	1.92	0.438	0.963	1.62	Mul.Part	3,4,5,6,7,53,54,55,78,79,152,154,155,176,178,179,180,181,311,313,314
	0.33	3gr9B	0.866	2.43	0.249	0.942	1.14	AKG	79,178,180,181,311
	0.24	3nubA	0.865	2.06	0.269	0.920	1.38	UD0	208,226,228
	0.19	3fz7A	0.753	3.30	0.110	0.883	1.39	PO4	53,54,55,176,178,181
	0.19	3dr7B	0.895	1.98	0.279	0.947	1.35	GPD	7,79,178,179,180,181,282,309,311
	0.16	2fnuA	0.911	1.93	0.439	0.960	1.51	Mul.Part	24,25,26,27,28,226
	0.10	2dglD	0.749	3.28	0.102	0.880	0.95	PLP	54,55,83,85,151,153,176,178
	0.09	2fn60	0.911	1.91	0.439	0.960	1.43	PEPTIDE	6,7,14,17,21,22,26,27,28,52,53,55,63,79,84,85,87,88,178,186,187,208,210,225,226,227,228,230,232,233,300,310,311,315,320,321,322
	0.06	2ogaA	0.884	2.13	0.242	0.944	1.44	NA	52,187,230
AAW36087.1	0.05	2is4A	0.459	4.85	0.180	0.537	0.76	ANP	14,15,16,17,18,19,20,55,338,377,409,410,627
	0.03	1uaaB	0.476	4.09	0.220	0.533	0.81	Nuc.Acid	46,106,108,109,112,117,134,304,380,382,383,491,492,493,621,623,642,644
	0.03	2is1B	0.457	4.35	0.192	0.515	0.75	Nuc.Acid	408,412,414,415
	0.03	3k70B	0.556	5.66	0.127	0.682	0.90	CA	785,860,873,874,875
	0.02	2pjrA	0.390	3.92	0.186	0.432	0.72	Nuc.Acid	44,45,46,108,304,341,380,382,383
	0.01	3jv2A	0.296	5.94	0.046	0.371	0.75	PEPTIDE	470,499,500,503,505
AAW35197.1	0.01	2r1dH	0.198	4.55	0.016	0.286	0.56	PEPTIDE	169,190,197,216
	0.01	1s0dA	0.358	6.40	0.028	0.673	0.49	CA	101,102,104,117
	0.01	1f31A	0.400	6.07	0.045	0.696	0.61	Mul.Part	171,172,185,187,189
	0.01	3mosA	0.409	5.84	0.042	0.714	0.71	CA	171,215,217
	0.01	3ecqA	0.368	6.34	0.061	0.677	0.73	CA	103,105,107,117
	0.01	2vu9A	0.298	5.63	0.067	0.482	0.41	Mul.Part	172,173,185,195
AAW35229.1	0.01	1fiqA	0.149	5.13	0.065	0.199	0.79	FAD	282,283,284,310
	0.01	2ckjA	0.322	7.20	0.038	0.520	0.91	FES	395,396,399,401,415,416,417,418
	0.01	2e1qA	0.329	7.57	0.043	0.553	0.74	CA	166,187,188,191
	0.01	2ckjD	0.329	7.98	0.052	0.571	0.79	FES	270,324,326,327,328,329,353
	0.01	2ckjD	0.329	7.98	0.052	0.571	0.73	PO4	358,415,417,419
AAW35586.1	0.88	1o69A	0.968	0.23	0.979	0.969	1.96	X04	55,56,57,60,82,84,85,129,155,157,158,179,181,184
	0.41	3bn1A	0.867	2.06	0.298	0.914	0.97	AKG	82,183,184,281
	0.37	2fnuA	0.857	2.34	0.223	0.920	1.26	Mul.Part	55,56,57,81,82,155,157,158,179,181,182,183,184,191,329,330,331,332
	0.22	3dr7B	0.867	2.04	0.298	0.914	1.42	GPD	82,181,182,183,184,281,327,329
	0.20	3fz7A	0.709	3.87	0.102	0.850	1.44	PO4	55,56,57,179,181,184
	0.18	3nubA	0.835	2.00	0.237	0.886	1.31	UD0	211,227,229
	0.17	3b8xA	0.832	2.44	0.237	0.902	1.31	NA	167,171,197
	0.06	2fn60	0.858	2.32	0.223	0.920	1.18	PEPTIDE	15,18,22,23,25,54,55,57,65,82,87,88,90,91,181,189,190,211,213,218,222,223,224,226,227,228,229,231,233,234,318,328,329,333,338,339,340
AAW35550.1	0.01	3jv2A	0.290	6.10	0.067	0.371	0.71	PEPTIDE	483,506,512,515
	0.01	1ea0A	0.282	8.46	0.043	0.430	0.76	F3S	466,467,468,469,470,472,473,502,503
	0.01	2wwyB	0.294	5.03	0.093	0.347	0.64	Nuc.Acid	350,357,396,398
	0.01	3jv2B	0.290	6.06	0.069	0.370	0.62	PEPTIDE	472,492,493,504,505
Q5HWW4.1	0.01	3h0qB	0.157	4.40	0.016	0.213	1.04	B37	159,160,161,164
	0.01	3tv5C	0.173	4.80	0.017	0.251	0.75	RCP	152,156,157,160
	0.01	2fmm9	0.109	3.18	0.009	0.135	0.86	PEPTIDE	171,172,176,177,178,179,180,181,183,184,185,186,187,188
	0.01	2ww8A	0.200	6.02	0.023	0.330	0.82	CA	164,168,170,174,177
	0.01	2hgu3	0.093	4.15	0.022	0.127	0.78	PEPTIDE	150,151,153,154
AAW35299.1	0.01	3kllA	0.261	7.93	0.040	0.399	0.76	MAL	487,495,496,497,498
	0.01	3mylX	0.210	9.03	0.048	0.361	0.78	POP	72,73,74,77,78,79,146
	0.01	1jwyA	0.207	8.63	0.029	0.344	1.05	PEPTIDE	13,17,737,738,739,741
	0.01	2agvA	0.245	8.21	0.029	0.383	0.89	PTY	27,724,728,731,732
	0.01	3kllA	0.261	7.93	0.040	0.399	0.98	MAL	86,116,117,121
AAW34570.1	0.04	3tmiA	0.467	4.63	0.131	0.556	0.86	Mul.Part	139,140,142,143,144,145,233,234
	0.03	2wjvA	0.437	6.11	0.096	0.598	0.99	ZN	338,341,378,382
	0.01	3jv2A	0.480	4.74	0.086	0.587	0.83	PEPTIDE	218,238,240,241,243
AAW34979.1	0.73	2r6fA	0.816	3.03	0.507	0.868	1.71	ADP	13,14,35,36,37,38,39,40,812,813,817
	0.30	2r6fA	0.816	3.03	0.507	0.868	1.65	ZN	281,284,398,401
	0.25	2vf8A	0.706	3.40	0.436	0.760	1.69	ZN	732,735,758
	0.10	3zqjD	0.944	1.50	0.509	0.962	1.21	ZN	121,123,124,257
AAW35521.1	0.57	1ng9A	0.523	4.21	0.143	0.604	1.22	ADP	294,313,314,315,316,317,318,319,454
AAW35521.1	0.03	2wtuB	0.507	4.59	0.140	0.603	0.95	Nuc.Acid	173,174,199,200,203
AAW35286.1	0.10	1i7qA	0.533	3.68	0.189	0.594	1.23	PYR	123,299,317,318,331,332,351
	0.09	3hwoA	0.493	3.52	0.141	0.552	1.10	ISC	168,183,184,212,275,276,317,318,331,332,333,334,347,351
	0.05	3hwoA	0.493	3.52	0.141	0.552	1.02	MG	212,334,347
	0.05	1k0eA	0.536	2.86	0.259	0.577	0.83	TRP	8,9,150,151,152,303,314
	0.04	1k0gB	0.503	3.02	0.253	0.542	1.23	PO4	51,52,55,288,289,295,296
	0.04	1qdl1	0.544	3.55	0.225	0.599	1.33	PEPTIDE	58,59,114,115,116,117,118,120,207,211,214,215,217,218,221,222,225,226,228,229,230,231,233,235,280,281,282
AAW35101.1	0.63	1gm5A	0.903	1.83	0.287	0.941	1.50	ADP	224,226,230,256,257,258,259,260,261,291
	0.06	1gm5A	0.903	1.83	0.287	0.941	0.84	Nuc.Acid	79,80,81,83,132,134
	0.03	3ex7H	0.443	4.28	0.169	0.532	1.01	AF3	255,259,374,495,523,526
	0.02	2xb2X	0.441	4.24	0.166	0.529	0.82	PEPTIDE	252,253,260,392,393

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