Receptor
PDB id Resolution Class Description Source Keywords
3COW 1.8 Å EC: 6.3.2.1 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PANTOTHENATE SYNTHETASE AT 1.8 ANG RESOLUTION- IN COMPLEX WITH SULPHONAMI NHIBITOR 2 MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS PANTOTHENATE BIOSYNTHESIS ENZYMLIGASE INHIBITORS DRUG DESIGN ATP-BINDING MAGNESIUM MEBINDING NUCLEOTIDE-BINDING
Ref.: INHIBITION OF MYCOBACTERIUM TUBERCULOSIS PANTOTHENA SYNTHETASE BY ANALOGUES OF THE REACTION INTERMEDIAT CHEMBIOCHEM V. 9 2606 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
52H A:401;
B:402;
Valid;
Valid;
none;
none;
Kd = 0.125 uM
460.462 C16 H24 N6 O8 S CC(C)...
EOH A:709;
B:710;
Invalid;
Invalid;
none;
none;
submit data
46.068 C2 H6 O CCO
GOL A:707;
A:708;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3COW 1.8 Å EC: 6.3.2.1 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PANTOTHENATE SYNTHETASE AT 1.8 ANG RESOLUTION- IN COMPLEX WITH SULPHONAMI NHIBITOR 2 MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS PANTOTHENATE BIOSYNTHESIS ENZYMLIGASE INHIBITORS DRUG DESIGN ATP-BINDING MAGNESIUM MEBINDING NUCLEOTIDE-BINDING
Ref.: INHIBITION OF MYCOBACTERIUM TUBERCULOSIS PANTOTHENA SYNTHETASE BY ANALOGUES OF THE REACTION INTERMEDIAT CHEMBIOCHEM V. 9 2606 2008
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3IVG Kd = 50 uM FG5 C20 H18 N2 O6 S COc1ccc2c(....
2 2A84 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1N2O - BAL C3 H7 N O2 C(CN)C(=O)....
4 1N2E - PAF C6 H11 O4 CC(C)(CO)[....
5 3IMC Kd = 1100 uM BZ3 C9 H9 N O COc1ccc2c(....
6 4G5Y Kd = 1.69 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
7 3IOD Kd = 80 uM A6D C17 H18 N6 O5 S2 c1cc(cc(c1....
8 3COY Kd = 0.96 uM 53H C16 H25 N7 O7 S CC(C)(C)[C....
9 3IUB Kd = 29 uM FG2 C16 H15 N3 O4 S Cc1ccc(nc1....
10 3LE8 Kd = 860 nM 2B5 C21 H18 N2 O5 COc1ccc2c(....
11 3ISJ Kd = 210 uM A8D C11 H12 N2 O4 S COc1ccc2c(....
12 2A86 - BAL C3 H7 N O2 C(CN)C(=O)....
13 3IOE Kd = 540 uM A7D C14 H21 N5 O5 S c1nc(c2c(n....
14 4G5F Kd = 0.88 mM 15N C9 H8 O4 c1ccc2c(c1....
15 4EFK Kd = 3.18 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
16 1N2B - PAF C6 H11 O4 CC(C)(CO)[....
17 1N2G - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
18 4DDH Kd = 0.48 mM MS0 C11 H10 O4 COc1ccc2c(....
19 3COZ Kd = 2.7 uM 54H C15 H23 N7 O7 S CC(C)[C@H]....
20 1N2H - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
21 3COW Kd = 0.125 uM 52H C16 H24 N6 O8 S CC(C)(C)[C....
22 3IOC Kd = 210 uM A5D C17 H19 N5 O3 S2 c1ccc(cc1)....
23 3IVC Kd = 76 uM FG4 C21 H17 N O6 COc1ccc2c(....
24 4EF6 Kd = 1.18 mM I2E C10 H10 O4 c1cc2c(cc1....
25 4DDK Kd = 5.13 mM 0HN C8 H6 O4 c1cc2c(cc1....
26 3IMG - BZ3 C9 H9 N O COc1ccc2c(....
27 4FZJ Kd = 0.74 mM 0W1 C8 H8 N2 O2 S Cc1c2cc(sc....
28 1N2I - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
29 3IUE Kd = 1.5 uM FG3 C18 H17 N3 O6 S Cc1ccc(nc1....
30 3IVX Kd = 1.8 uM FG6 C20 H16 N2 O7 S COc1ccc2c(....
31 2A7X - AMP C10 H14 N5 O7 P c1nc(c2c(n....
32 4DE5 Kd = 0.67 mM 0JD C9 H8 O4 c1ccc2c(c1....
33 1N2J - PAF C6 H11 O4 CC(C)(CO)[....
34 3IME Kd = 1000 uM BZ2 C9 H6 O3 c1ccc2c(c1....
35 4DDM Kd = 3.48 mM 0HO C7 H4 N2 O2 S c1cc2c(cc1....
36 3IOB Kd = 380 uM A4D C10 H13 N5 O3 S c1nc(c2c(n....
70% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3IVG Kd = 50 uM FG5 C20 H18 N2 O6 S COc1ccc2c(....
2 2A84 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1N2O - BAL C3 H7 N O2 C(CN)C(=O)....
4 1N2E - PAF C6 H11 O4 CC(C)(CO)[....
5 3IMC Kd = 1100 uM BZ3 C9 H9 N O COc1ccc2c(....
6 4G5Y Kd = 1.69 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
7 3IOD Kd = 80 uM A6D C17 H18 N6 O5 S2 c1cc(cc(c1....
8 3COY Kd = 0.96 uM 53H C16 H25 N7 O7 S CC(C)(C)[C....
9 3IUB Kd = 29 uM FG2 C16 H15 N3 O4 S Cc1ccc(nc1....
10 3LE8 Kd = 860 nM 2B5 C21 H18 N2 O5 COc1ccc2c(....
11 3ISJ Kd = 210 uM A8D C11 H12 N2 O4 S COc1ccc2c(....
12 2A86 - BAL C3 H7 N O2 C(CN)C(=O)....
13 3IOE Kd = 540 uM A7D C14 H21 N5 O5 S c1nc(c2c(n....
14 4G5F Kd = 0.88 mM 15N C9 H8 O4 c1ccc2c(c1....
15 4EFK Kd = 3.18 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
16 1N2B - PAF C6 H11 O4 CC(C)(CO)[....
17 1N2G - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
18 4DDH Kd = 0.48 mM MS0 C11 H10 O4 COc1ccc2c(....
19 3COZ Kd = 2.7 uM 54H C15 H23 N7 O7 S CC(C)[C@H]....
20 1N2H - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
21 3COW Kd = 0.125 uM 52H C16 H24 N6 O8 S CC(C)(C)[C....
22 3IOC Kd = 210 uM A5D C17 H19 N5 O3 S2 c1ccc(cc1)....
23 3IVC Kd = 76 uM FG4 C21 H17 N O6 COc1ccc2c(....
24 4EF6 Kd = 1.18 mM I2E C10 H10 O4 c1cc2c(cc1....
25 4DDK Kd = 5.13 mM 0HN C8 H6 O4 c1cc2c(cc1....
26 3IMG - BZ3 C9 H9 N O COc1ccc2c(....
27 4FZJ Kd = 0.74 mM 0W1 C8 H8 N2 O2 S Cc1c2cc(sc....
28 1N2I - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
29 3IUE Kd = 1.5 uM FG3 C18 H17 N3 O6 S Cc1ccc(nc1....
30 3IVX Kd = 1.8 uM FG6 C20 H16 N2 O7 S COc1ccc2c(....
31 2A7X - AMP C10 H14 N5 O7 P c1nc(c2c(n....
32 4DE5 Kd = 0.67 mM 0JD C9 H8 O4 c1ccc2c(c1....
33 1N2J - PAF C6 H11 O4 CC(C)(CO)[....
34 3IME Kd = 1000 uM BZ2 C9 H6 O3 c1ccc2c(c1....
35 4DDM Kd = 3.48 mM 0HO C7 H4 N2 O2 S c1cc2c(cc1....
36 3IOB Kd = 380 uM A4D C10 H13 N5 O3 S c1nc(c2c(n....
50% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3IVG Kd = 50 uM FG5 C20 H18 N2 O6 S COc1ccc2c(....
2 2A84 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1N2O - BAL C3 H7 N O2 C(CN)C(=O)....
4 1N2E - PAF C6 H11 O4 CC(C)(CO)[....
5 3IMC Kd = 1100 uM BZ3 C9 H9 N O COc1ccc2c(....
6 4G5Y Kd = 1.69 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
7 3IOD Kd = 80 uM A6D C17 H18 N6 O5 S2 c1cc(cc(c1....
8 3COY Kd = 0.96 uM 53H C16 H25 N7 O7 S CC(C)(C)[C....
9 3IUB Kd = 29 uM FG2 C16 H15 N3 O4 S Cc1ccc(nc1....
10 3LE8 Kd = 860 nM 2B5 C21 H18 N2 O5 COc1ccc2c(....
11 3ISJ Kd = 210 uM A8D C11 H12 N2 O4 S COc1ccc2c(....
12 2A86 - BAL C3 H7 N O2 C(CN)C(=O)....
13 3IOE Kd = 540 uM A7D C14 H21 N5 O5 S c1nc(c2c(n....
14 4G5F Kd = 0.88 mM 15N C9 H8 O4 c1ccc2c(c1....
15 4EFK Kd = 3.18 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
16 1N2B - PAF C6 H11 O4 CC(C)(CO)[....
17 1N2G - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
18 4DDH Kd = 0.48 mM MS0 C11 H10 O4 COc1ccc2c(....
19 3COZ Kd = 2.7 uM 54H C15 H23 N7 O7 S CC(C)[C@H]....
20 1N2H - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
21 3COW Kd = 0.125 uM 52H C16 H24 N6 O8 S CC(C)(C)[C....
22 3IOC Kd = 210 uM A5D C17 H19 N5 O3 S2 c1ccc(cc1)....
23 3IVC Kd = 76 uM FG4 C21 H17 N O6 COc1ccc2c(....
24 4EF6 Kd = 1.18 mM I2E C10 H10 O4 c1cc2c(cc1....
25 4DDK Kd = 5.13 mM 0HN C8 H6 O4 c1cc2c(cc1....
26 3IMG - BZ3 C9 H9 N O COc1ccc2c(....
27 4FZJ Kd = 0.74 mM 0W1 C8 H8 N2 O2 S Cc1c2cc(sc....
28 1N2I - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
29 3IUE Kd = 1.5 uM FG3 C18 H17 N3 O6 S Cc1ccc(nc1....
30 3IVX Kd = 1.8 uM FG6 C20 H16 N2 O7 S COc1ccc2c(....
31 2A7X - AMP C10 H14 N5 O7 P c1nc(c2c(n....
32 4DE5 Kd = 0.67 mM 0JD C9 H8 O4 c1ccc2c(c1....
33 1N2J - PAF C6 H11 O4 CC(C)(CO)[....
34 3IME Kd = 1000 uM BZ2 C9 H6 O3 c1ccc2c(c1....
35 4DDM Kd = 3.48 mM 0HO C7 H4 N2 O2 S c1cc2c(cc1....
36 3IOB Kd = 380 uM A4D C10 H13 N5 O3 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 52H; Similar ligands found: 243
No: Ligand ECFP6 Tc MDL keys Tc
1 52H 1 1
2 53H 0.821429 1
3 A5A 0.807229 0.963855
4 TSB 0.8 0.952381
5 VMS 0.788235 0.987952
6 54H 0.788235 0.987952
7 SSA 0.776471 0.908046
8 LSS 0.761364 0.953488
9 5CA 0.758621 0.908046
10 NVA LMS 0.752809 0.909091
11 LEU LMS 0.744444 0.953488
12 NSS 0.741573 0.908046
13 DSZ 0.741573 0.908046
14 G5A 0.729412 0.908046
15 GSU 0.717391 0.908046
16 KAA 0.717391 0.877778
17 5AS 0.698795 0.908046
18 YSA 0.680412 0.908046
19 P5A 0.645833 0.868132
20 WSA 0.628571 0.918605
21 4YB 0.590476 0.88764
22 SON 0.577778 0.772727
23 AMP 0.569767 0.776471
24 A 0.569767 0.776471
25 649 0.568807 0.868132
26 5AL 0.568421 0.811765
27 ABM 0.568182 0.77907
28 PAJ 0.565657 0.818182
29 AHX 0.56 0.766667
30 AMP MG 0.556818 0.738636
31 CA0 0.554348 0.781609
32 A2D 0.550562 0.77907
33 3DH 0.546512 0.697674
34 SRA 0.545455 0.802326
35 PTJ 0.543689 0.827586
36 TXA 0.543689 0.793103
37 8QN 0.54 0.811765
38 AOC 0.539326 0.697674
39 AP2 0.538462 0.752809
40 A12 0.538462 0.752809
41 BA3 0.538462 0.77907
42 M33 0.537634 0.790698
43 AU1 0.537634 0.781609
44 ADX 0.537634 0.894118
45 XYA 0.5375 0.694118
46 RAB 0.5375 0.694118
47 ADN 0.5375 0.694118
48 5CD 0.536585 0.682353
49 SLU 0.533898 0.897727
50 B4P 0.532609 0.77907
51 ADP 0.532609 0.77907
52 AP5 0.532609 0.77907
53 5X8 0.531915 0.689655
54 DAL AMP 0.53 0.790698
55 AN2 0.526882 0.790698
56 PRX 0.526316 0.761364
57 GAP 0.525773 0.761364
58 SRP 0.525253 0.772727
59 5N5 0.52439 0.674419
60 XAH 0.523364 0.741935
61 ADP MG 0.521277 0.75
62 AMO 0.519608 0.772727
63 A4D 0.518072 0.694118
64 EP4 0.517647 0.701149
65 BEF ADP 0.515789 0.733333
66 ADP BEF 0.515789 0.733333
67 ATP 0.515789 0.77907
68 ACP 0.515789 0.761364
69 50T 0.515789 0.75
70 NB8 0.514286 0.766667
71 DTA 0.511628 0.709302
72 M2T 0.511628 0.724138
73 5FA 0.510417 0.77907
74 APR 0.510417 0.77907
75 APC 0.510417 0.752809
76 AQP 0.510417 0.77907
77 AR6 0.510417 0.77907
78 ANP 0.510204 0.781609
79 MTA 0.505747 0.697674
80 SA8 0.505155 0.645161
81 SAP 0.505155 0.804598
82 AD9 0.505155 0.761364
83 AGS 0.505155 0.804598
84 RBY 0.505155 0.752809
85 ADV 0.505155 0.752809
86 ADP PO3 0.505155 0.776471
87 4AD 0.504854 0.764045
88 DLL 0.5 0.790698
89 ATP MG 0.5 0.75
90 ME8 0.5 0.76087
91 ATF 0.5 0.752809
92 48N 0.495575 0.766667
93 7MD 0.495495 0.741935
94 3UK 0.495238 0.781609
95 OAD 0.495238 0.802326
96 OOB 0.495146 0.790698
97 ANP MG 0.49505 0.764045
98 TAT 0.494949 0.793103
99 ACQ 0.494949 0.761364
100 6RE 0.494505 0.634409
101 9SN 0.490741 0.747253
102 LAD 0.490566 0.73913
103 1ZZ 0.485981 0.741935
104 3OD 0.485981 0.802326
105 BIS 0.485981 0.736264
106 00A 0.485714 0.755556
107 MAP 0.485437 0.764045
108 A22 0.485437 0.770115
109 ADP ALF 0.485149 0.725275
110 ALF ADP 0.485149 0.725275
111 SAH 0.484848 0.674157
112 SFG 0.484536 0.659091
113 A3T 0.484536 0.717647
114 J7C 0.483871 0.641304
115 A3N 0.483871 0.651685
116 COD 0.483333 0.776596
117 7MC 0.482759 0.744681
118 MYR AMP 0.481481 0.723404
119 5SV 0.480769 0.728261
120 25A 0.480769 0.77907
121 S7M 0.480392 0.666667
122 SMM 0.480392 0.680851
123 ADP VO4 0.480392 0.770115
124 VO4 ADP 0.480392 0.770115
125 SAM 0.48 0.666667
126 A7D 0.479167 0.681818
127 GJV 0.478723 0.62766
128 S4M 0.478723 0.628866
129 AMP DBH 0.477477 0.722222
130 WAQ 0.476636 0.755556
131 PR8 0.476636 0.731183
132 A1R 0.47619 0.736264
133 ADQ 0.47619 0.761364
134 EEM 0.475248 0.631579
135 MAO 0.473684 0.691489
136 ARG AMP 0.473684 0.697917
137 NEC 0.473118 0.655172
138 DSH 0.473118 0.641304
139 FA5 0.472727 0.772727
140 YAP 0.472727 0.764045
141 JB6 0.472222 0.775281
142 FYA 0.472222 0.75
143 SAI 0.47 0.648352
144 YLP 0.469565 0.726316
145 TYR AMP 0.468468 0.752809
146 ZAS 0.467391 0.674157
147 ADP BMA 0.46729 0.741573
148 A3S 0.463918 0.689655
149 0UM 0.462264 0.638298
150 LA8 ALF 3PG 0.461538 0.72043
151 ALF ADP 3PG 0.461538 0.72043
152 LAQ 0.46087 0.76087
153 7C5 0.460177 0.7
154 MHZ 0.459184 0.639175
155 SXZ 0.458716 0.703297
156 5AD 0.457831 0.650602
157 YLB 0.457627 0.726316
158 YLC 0.457627 0.741935
159 A3G 0.457447 0.681818
160 LPA AMP 0.456897 0.741935
161 4UU 0.45614 0.764045
162 25L 0.454545 0.770115
163 K15 0.453704 0.625
164 4UW 0.452991 0.758242
165 TAD 0.452174 0.758242
166 4UV 0.451327 0.764045
167 A A 0.449541 0.758621
168 AF3 ADP 3PG 0.449153 0.72043
169 TYM 0.449153 0.772727
170 TXE 0.449153 0.755556
171 OMR 0.449153 0.734043
172 AHZ 0.448276 0.741935
173 A5D 0.445545 0.709302
174 62X 0.444444 0.645833
175 AFH 0.443478 0.72043
176 AYB 0.442623 0.71875
177 3AM 0.44086 0.744186
178 TXD 0.440678 0.755556
179 NAX 0.440678 0.731183
180 DND 0.440678 0.772727
181 6V0 0.440678 0.747253
182 NXX 0.440678 0.772727
183 2VA 0.44 0.741176
184 GTA 0.439655 0.741935
185 GEK 0.439252 0.688889
186 NAD IBO 0.439024 0.804598
187 IOT 0.438017 0.701031
188 Y3J 0.436782 0.616279
189 YLA 0.434426 0.708333
190 ATP A A A 0.433628 0.767442
191 AP0 0.433333 0.747253
192 AR6 AR6 0.431034 0.758621
193 CNA 0.430894 0.772727
194 NAI 0.428571 0.755556
195 A3D 0.428571 0.802326
196 A3P 0.428571 0.776471
197 A2P 0.428571 0.764706
198 VRT 0.427184 0.677778
199 SO8 0.427184 0.712644
200 3NZ 0.423423 0.688889
201 T5A 0.422764 0.726316
202 G3A 0.422414 0.747253
203 594 0.421875 0.795918
204 BT5 0.420635 0.71875
205 DZD 0.420635 0.73913
206 7D5 0.419355 0.707865
207 AAT 0.419048 0.62766
208 G5P 0.418803 0.747253
209 YLY 0.418605 0.71875
210 7D7 0.418605 0.632184
211 NVA 2AD 0.417476 0.655556
212 D3Y 0.416667 0.674157
213 UP5 0.416667 0.764045
214 FB0 0.416058 0.7
215 KB1 0.415929 0.621053
216 3AD 0.41573 0.682353
217 KH3 0.415254 0.618557
218 2AM 0.414894 0.735632
219 A6D 0.414414 0.677419
220 S8M 0.412844 0.688889
221 4TA 0.412698 0.715789
222 NAD 0.412698 0.790698
223 NAQ 0.412214 0.786517
224 ADJ 0.41129 0.697917
225 4TC 0.409836 0.747253
226 UPA 0.409836 0.755556
227 6IA 0.409524 0.73913
228 V3L 0.409524 0.77907
229 BS5 0.408 0.762887
230 67D 0.408 0.866667
231 A4P 0.406504 0.693878
232 PPS 0.40566 0.872093
233 NAE 0.40458 0.784091
234 PAP 0.403846 0.767442
235 ATR 0.403846 0.755814
236 NAJ PZO 0.403101 0.747253
237 CC5 0.402299 0.690476
238 OVE 0.402062 0.75
239 2SA 0.401869 0.752809
240 BTX 0.401575 0.726316
241 DCA 0.4 0.75
242 ETB 0.4 0.757895
243 139 0.4 0.731183
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3COW; Ligand: 52H; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3cow.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3COW; Ligand: 52H; Similar sites found: 28
This union binding pocket(no: 2) in the query (biounit: 3cow.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3JRX S1A 0.03478 0.40027 1.66113
2 3ZIU LSS 0.00000576 0.41197 1.99336
3 2PID YSA 0.00001517 0.41256 2.24719
4 1PFY MSP 0.000009007 0.41365 2.32558
5 2YLN CYS 0.03763 0.41859 3.18021
6 3C8Z 5CA 0.00001508 0.55124 3.32226
7 4E2J MOF 0.01038 0.41359 3.6
8 5UFS 1TA 0.02043 0.40034 3.62903
9 1G27 BB1 0.0266 0.40308 4.16667
10 4GQY AMP 0.02535 0.42033 4.24242
11 3R9V DXC 0.002825 0.42978 4.31894
12 1R6T TYM 0.0001066 0.4568 4.65116
13 4J75 TYM 0.000005874 0.43172 4.88998
14 4IZY 1J2 0.02476 0.40178 5.31561
15 1R4W GSH 0.03057 0.41247 5.75221
16 2QTR NXX 0.0001706 0.407 5.82011
17 1S9D AFB 0.03721 0.41143 6.40394
18 2X1L ADN 0.00006608 0.5435 6.97674
19 3ND6 ATP 0.0001626 0.40209 7.30897
20 3HUN ZZ7 0.03785 0.41468 8.30565
21 2XG5 EC5 0.01024 0.45217 8.7156
22 2XG5 EC2 0.01024 0.45217 8.7156
23 5BXV MGP 0.02564 0.42693 9.09091
24 3KFL ME8 0.0000005149 0.44981 9.63455
25 1WS1 BB2 0.03719 0.40174 12.8205
26 3KP6 SAL 0.008535 0.45594 13.245
27 3HL4 CDC 0.001182 0.46333 14.4068
28 1N1D C2G 0.003558 0.42834 17.0543
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