S. No | Ligands ID | HB | D(Ã…) | Pi-SR | D(Ã…) | vdWISR |
---|---|---|---|---|---|---|
1. | CNP0056520 | Ile313, Leu314 | 2.39, 2.85 | Trp31, Ala316 | 4.77, 5.37 | Leu26, Lys35, Gln153, Pro154, Tyr219, Glu312, Tyr315, Trp332, Met349, Gly 350, Gly 351, Leu 360 |
2. | CNP0126952 | Leu314 | 2.73 | Leu26 Tyr315 | 4.01, 4.59, 5.30 | Trp31, Lys35, Leu214, Tyr219, Ile313, Ala316, Trp332, Met349, Gly350, Gly351,Lys360, Lys364 |
3. | CNP0248480 | Gly351 | 2.98 | Leu214 Tyr315 Ala316 Trp332 | 4.79 4.67 3.53 4.79 | Trp31, Met148, Gln153, Pro154, Ile212, Ser213, Glu312, Ile313, Leu314, Met349, Glu350, Leu360, Lys364 |
4. | Control (Deoxyribofuranosephosphonate) | Asn37, Lys60 | 2.76, 3.07 | Lys35, Trp38 | 4.28, 4.56 | Pro61,Arg215,Tyr219 |