কনটেন্টটি শেষ হাল-নাগাদ করা হয়েছে: শনিবার, ২২ অক্টোবর, ২০১৬ এ ০৫:২৭ AM
কন্টেন্ট: পাতা
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 | CscoreLB | PDB | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Predicted binding site residues |
|
AAW36232.1 | 0.20 | 0.661 | 0.62 | 0.279 | 0.664 | 1.53 | ZN | 37,40,58,61 | |
| 0.02 | 0.291 | 3.22 | 0.168 | 0.324 | 1.17 | MG | 254,298,300 | ||
| 0.01 | 0.265 | 7.80 | 0.065 | 0.428 | 0.78 | F3S | 187,188,189,190,191,192,193,222 | ||
| AAW35724.1 | 0.14 | 0.316 | 1.76 | 0.332 | 0.326 | 1.70 | ZN | 442,459,512,514,548 | |
| 0.01 | 0.264 | 7.22 | 0.060 | 0.384 | 0.88 | Mul.Part | 349,382,384,385,386 | ||
| 0.01 | 0.246 | 7.85 | 0.059 | 0.381 | 1.07 | Mul.Part | 350,351,352,380,381,382 | ||
| 0.01 | 0.266 | 7.29 | 0.068 | 0.389 | 0.93 | Mul.Part | 339,347,383,384,385 | ||
| 0.01 | 0.265 | 7.26 | 0.062 | 0.387 | 1.06 | Mul.Part | 350,380,381,382 | ||
| AAW35664.1 | 0.08 | 0.242 | 4.76 | 0.164 | 0.296 | 1.27 | MG | 365,366,380,403,404 | |
| 0.04 | 0.242 | 4.67 | 0.164 | 0.294 | 0.88 | MG | 331,336,366,421 | ||
| AAW35702.1 | 0.04 | 0.238 | 2.43 | 0.203 | 0.253 | 1.49 | SO4 | 435,463,464,465,466 | |
| 0.03 | 0.237 | 2.51 | 0.219 | 0.253 | 0.89 | NA | 398,399,461 | ||
| 0.02 | 0.234 | 2.42 | 0.195 | 0.248 | 1.31 | SO4 | 425,427,444,448,449 | ||
| 0.01 | 0.209 | 3.84 | 0.074 | 0.243 | 0.94 | YES | 446,447,449,453,454,455,481 | ||
| 0.01 | 0.204 | 5.76 | 0.032 | 0.270 | 0.84 | NA | 438,439,442,469,470,472 | ||
| 0.01 | 0.215 | 7.06 | 0.029 | 0.318 | 0.80 | TPP | 398,440,461,466 | ||
|
AAW35927.1 | 0.60 | 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 | 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 | 0.866 | 2.43 | 0.249 | 0.942 | 1.14 | AKG | 79,178,180,181,311 | ||
| 0.24 | 0.865 | 2.06 | 0.269 | 0.920 | 1.38 | UD0 | 208,226,228 | ||
| 0.19 | 0.753 | 3.30 | 0.110 | 0.883 | 1.39 | PO4 | 53,54,55,176,178,181 | ||
| 0.19 | 0.895 | 1.98 | 0.279 | 0.947 | 1.35 | GPD | 7,79,178,179,180,181,282,309,311 | ||
| 0.16 | 0.911 | 1.93 | 0.439 | 0.960 | 1.51 | Mul.Part | 24,25,26,27,28,226 | ||
| 0.10 | 0.749 | 3.28 | 0.102 | 0.880 | 0.95 | PLP | 54,55,83,85,151,153,176,178 | ||
| 0.09 | 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 | 0.884 | 2.13 | 0.242 | 0.944 | 1.44 | NA | 52,187,230 | ||
| AAW36087.1 | 0.05 | 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 | 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 | 0.457 | 4.35 | 0.192 | 0.515 | 0.75 | Nuc.Acid | 408,412,414,415 | ||
| 0.03 | 0.556 | 5.66 | 0.127 | 0.682 | 0.90 | CA | 785,860,873,874,875 | ||
| 0.02 | 0.390 | 3.92 | 0.186 | 0.432 | 0.72 | Nuc.Acid | 44,45,46,108,304,341,380,382,383 | ||
| 0.01 | 0.296 | 5.94 | 0.046 | 0.371 | 0.75 | PEPTIDE | 470,499,500,503,505 | ||
| AAW35197.1 | 0.01 | 0.198 | 4.55 | 0.016 | 0.286 | 0.56 | PEPTIDE | 169,190,197,216 | |
| 0.01 | 0.358 | 6.40 | 0.028 | 0.673 | 0.49 | CA | 101,102,104,117 | ||
| 0.01 | 0.400 | 6.07 | 0.045 | 0.696 | 0.61 | Mul.Part | 171,172,185,187,189 | ||
| 0.01 | 0.409 | 5.84 | 0.042 | 0.714 | 0.71 | CA | 171,215,217 | ||
| 0.01 | 0.368 | 6.34 | 0.061 | 0.677 | 0.73 | CA | 103,105,107,117 | ||
| 0.01 | 0.298 | 5.63 | 0.067 | 0.482 | 0.41 | Mul.Part | 172,173,185,195 | ||
| AAW35229.1 | 0.01 | 0.149 | 5.13 | 0.065 | 0.199 | 0.79 | FAD | 282,283,284,310 | |
| 0.01 | 0.322 | 7.20 | 0.038 | 0.520 | 0.91 | FES | 395,396,399,401,415,416,417,418 | ||
| 0.01 | 0.329 | 7.57 | 0.043 | 0.553 | 0.74 | CA | 166,187,188,191 | ||
| 0.01 | 0.329 | 7.98 | 0.052 | 0.571 | 0.79 | FES | 270,324,326,327,328,329,353 | ||
| 0.01 | 0.329 | 7.98 | 0.052 | 0.571 | 0.73 | PO4 | 358,415,417,419 | ||
| AAW35586.1 | 0.88 | 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 | 0.867 | 2.06 | 0.298 | 0.914 | 0.97 | AKG | 82,183,184,281 | ||
| 0.37 | 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 | 0.867 | 2.04 | 0.298 | 0.914 | 1.42 | GPD | 82,181,182,183,184,281,327,329 | ||
| 0.20 | 0.709 | 3.87 | 0.102 | 0.850 | 1.44 | PO4 | 55,56,57,179,181,184 | ||
| 0.18 | 0.835 | 2.00 | 0.237 | 0.886 | 1.31 | UD0 | 211,227,229 | ||
| 0.17 | 0.832 | 2.44 | 0.237 | 0.902 | 1.31 | NA | 167,171,197 | ||
| 0.06 | 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 | 0.290 | 6.10 | 0.067 | 0.371 | 0.71 | PEPTIDE | 483,506,512,515 | |
| 0.01 | 0.282 | 8.46 | 0.043 | 0.430 | 0.76 | F3S | 466,467,468,469,470,472,473,502,503 | ||
| 0.01 | 0.294 | 5.03 | 0.093 | 0.347 | 0.64 | Nuc.Acid | 350,357,396,398 | ||
| 0.01 | 0.290 | 6.06 | 0.069 | 0.370 | 0.62 | PEPTIDE | 472,492,493,504,505 | ||
| Q5HWW4.1 | 0.01 | 0.157 | 4.40 | 0.016 | 0.213 | 1.04 | B37 | 159,160,161,164 | |
| 0.01 | 0.173 | 4.80 | 0.017 | 0.251 | 0.75 | RCP | 152,156,157,160 | ||
| 0.01 | 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 | 0.200 | 6.02 | 0.023 | 0.330 | 0.82 | CA | 164,168,170,174,177 | |
| 0.01 | 0.093 | 4.15 | 0.022 | 0.127 | 0.78 | PEPTIDE | 150,151,153,154 | ||
| AAW35299.1 | 0.01 | 0.261 | 7.93 | 0.040 | 0.399 | 0.76 | MAL | 487,495,496,497,498 | |
| 0.01 | 0.210 | 9.03 | 0.048 | 0.361 | 0.78 | POP | 72,73,74,77,78,79,146 | ||
| 0.01 | 0.207 | 8.63 | 0.029 | 0.344 | 1.05 | PEPTIDE | 13,17,737,738,739,741 | ||
| 0.01 | 0.245 | 8.21 | 0.029 | 0.383 | 0.89 | PTY | 27,724,728,731,732 | ||
| 0.01 | 0.261 | 7.93 | 0.040 | 0.399 | 0.98 | MAL | 86,116,117,121 | ||
| AAW34570.1 | 0.04 | 0.467 | 4.63 | 0.131 | 0.556 | 0.86 | Mul.Part | 139,140,142,143,144,145,233,234 | |
| 0.03 | 0.437 | 6.11 | 0.096 | 0.598 | 0.99 | ZN | 338,341,378,382 | ||
| 0.01 | 0.480 | 4.74 | 0.086 | 0.587 | 0.83 | PEPTIDE | 218,238,240,241,243 | ||
| AAW34979.1 | 0.73 | 0.816 | 3.03 | 0.507 | 0.868 | 1.71 | ADP | 13,14,35,36,37,38,39,40,812,813,817 | |
| 0.30 | 0.816 | 3.03 | 0.507 | 0.868 | 1.65 | ZN | 281,284,398,401 | ||
| 0.25 | 0.706 | 3.40 | 0.436 | 0.760 | 1.69 | ZN | 732,735,758 | ||
| 0.10 | 0.944 | 1.50 | 0.509 | 0.962 | 1.21 | ZN | 121,123,124,257 | ||
| AAW35521.1 | 0.57 | 0.523 | 4.21 | 0.143 | 0.604 | 1.22 | ADP | 294,313,314,315,316,317,318,319,454 | |
| 0.03 | 0.507 | 4.59 | 0.140 | 0.603 | 0.95 | Nuc.Acid | 173,174,199,200,203 | ||
| AAW35286.1 | 0.10 | 0.533 | 3.68 | 0.189 | 0.594 | 1.23 | PYR | 123,299,317,318,331,332,351 | |
| 0.09 | 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 | 0.493 | 3.52 | 0.141 | 0.552 | 1.02 | MG | 212,334,347 | ||
| 0.05 | 0.536 | 2.86 | 0.259 | 0.577 | 0.83 | TRP | 8,9,150,151,152,303,314 | ||
| 0.04 | 0.503 | 3.02 | 0.253 | 0.542 | 1.23 | PO4 | 51,52,55,288,289,295,296 | ||
| 0.04 | 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 | 0.903 | 1.83 | 0.287 | 0.941 | 1.50 | ADP | 224,226,230,256,257,258,259,260,261,291 | |
| 0.06 | 0.903 | 1.83 | 0.287 | 0.941 | 0.84 | Nuc.Acid | 79,80,81,83,132,134 | ||
| 0.03 | 0.443 | 4.28 | 0.169 | 0.532 | 1.01 | AF3 | 255,259,374,495,523,526 | ||
| 0.02 | 0.441 | 4.24 | 0.166 | 0.529 | 0.82 | PEPTIDE | 252,253,260,392,393 |
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