Receptor
PDB id Resolution Class Description Source Keywords
3IOB 1.8 Å EC: 6.3.2.1 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PANTOTHENATE SYNTHETASE AT 1.80 ANG RESOLUTION IN COMPLEX WITH 5'-DEOXY-T HIOADENOSINE MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS PANTOTHENATE BIOSYNTHESIS ENZYMLIGASE INHIBITORS DRUG DESIGN FRAGMENT-BASED DYNAMIC COMBINATORIAL CHEMISTRY ATP-BINDING MAGNESIUM METAL-BINDNUCLEOTIDE-BINDING
Ref.: A FRAGMENT-BASED APPROACH TO PROBING ADENOSINE RECO SITES BY USING DYNAMIC COMBINATORIAL CHEMISTRY CHEMBIOCHEM V. 10 2772 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A4D A:301;
B:302;
Valid;
Valid;
none;
none;
Kd = 380 uM
283.307 C10 H13 N5 O3 S c1nc(...
EOH A:710;
A:711;
Invalid;
Invalid;
none;
none;
submit data
46.068 C2 H6 O CCO
GOL A:701;
A:705;
A:708;
B:706;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:703;
B:704;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
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: A4D; Similar ligands found: 263
No: Ligand ECFP6 Tc MDL keys Tc
1 A4D 1 1
2 XYA 0.796296 0.967742
3 ADN 0.796296 0.967742
4 RAB 0.796296 0.967742
5 5N5 0.767857 0.967742
6 5CD 0.754386 0.920635
7 EP4 0.716667 0.852941
8 DTA 0.704918 0.893939
9 M2T 0.704918 0.855072
10 MTA 0.693548 0.907692
11 3DH 0.671875 0.907692
12 A 0.651515 0.816901
13 ZAS 0.651515 0.84058
14 AMP 0.651515 0.816901
15 SRA 0.641791 0.797297
16 6RE 0.641791 0.830986
17 5AD 0.637931 0.854839
18 DSH 0.632353 0.869565
19 AOC 0.632353 0.878788
20 AMP MG 0.632353 0.794521
21 J7C 0.623188 0.842857
22 A3N 0.623188 0.923077
23 A2D 0.623188 0.819444
24 ABM 0.623188 0.794521
25 S4M 0.614286 0.789474
26 GJV 0.614286 0.819444
27 A12 0.605634 0.786667
28 AP2 0.605634 0.786667
29 MAO 0.605634 0.734177
30 BA3 0.605634 0.819444
31 7D7 0.6 0.846154
32 AP5 0.597222 0.819444
33 B4P 0.597222 0.819444
34 5AS 0.597222 0.714286
35 ADP 0.597222 0.819444
36 Y3J 0.596774 0.828125
37 A7D 0.589041 0.909091
38 AN2 0.589041 0.808219
39 SON 0.589041 0.763158
40 MHZ 0.581081 0.75641
41 AU1 0.581081 0.797297
42 ADP MG 0.581081 0.783784
43 ADX 0.581081 0.759494
44 M33 0.581081 0.808219
45 CA0 0.581081 0.797297
46 50T 0.573333 0.808219
47 ACP 0.573333 0.797297
48 ADP BEF 0.573333 0.763158
49 ATP 0.573333 0.819444
50 BEF ADP 0.573333 0.763158
51 5X8 0.573333 0.893939
52 SFG 0.573333 0.850746
53 APC 0.565789 0.786667
54 PRX 0.565789 0.773333
55 AR6 0.565789 0.819444
56 AQP 0.565789 0.819444
57 5FA 0.565789 0.819444
58 APR 0.565789 0.819444
59 3AM 0.565217 0.802817
60 TAT 0.564103 0.810811
61 A5D 0.558442 0.893939
62 SA8 0.558442 0.794521
63 AGS 0.558442 0.8
64 RBY 0.558442 0.786667
65 AD9 0.558442 0.797297
66 ADP PO3 0.558442 0.816901
67 SAP 0.558442 0.8
68 ADV 0.558442 0.786667
69 SAH 0.551282 0.867647
70 G5A 0.551282 0.714286
71 SAI 0.551282 0.828571
72 ATP MG 0.551282 0.783784
73 5CA 0.548781 0.73494
74 SAM 0.544304 0.797297
75 ACQ 0.544304 0.797297
76 ANP 0.544304 0.797297
77 GAP 0.544304 0.797297
78 S7M 0.54321 0.797297
79 NEC 0.541667 0.876923
80 A3G 0.541667 0.909091
81 3AD 0.538462 0.920635
82 AAT 0.5375 0.84507
83 5AL 0.5375 0.783784
84 EEM 0.5375 0.773333
85 ADP ALF 0.530864 0.753247
86 ALF ADP 0.530864 0.753247
87 A5A 0.530864 0.719512
88 ATF 0.530864 0.786667
89 2AM 0.528571 0.816901
90 OVE 0.527778 0.808219
91 A3S 0.526316 0.923077
92 SMM 0.52439 0.766234
93 ANP MG 0.52439 0.753247
94 ADP VO4 0.52439 0.783784
95 SRP 0.52439 0.786667
96 VO4 ADP 0.52439 0.783784
97 SSA 0.52439 0.73494
98 GEK 0.52381 0.830986
99 CC5 0.52381 0.904762
100 A3P 0.52 0.791667
101 52H 0.518072 0.694118
102 VMS 0.518072 0.702381
103 54H 0.518072 0.702381
104 7D5 0.514286 0.756757
105 QQY 0.513889 0.767123
106 A3T 0.512821 0.9375
107 53H 0.511905 0.694118
108 DAL AMP 0.511905 0.783784
109 MAP 0.511905 0.776316
110 TSB 0.511905 0.731707
111 A22 0.511905 0.808219
112 8QN 0.505882 0.783784
113 5SV 0.505882 0.734177
114 OOB 0.505882 0.783784
115 25A 0.505882 0.794521
116 S8M 0.505882 0.830986
117 NSS 0.5 0.714286
118 LSS 0.5 0.678161
119 AMO 0.5 0.786667
120 4AD 0.5 0.776316
121 A1R 0.5 0.789474
122 QQX 0.5 0.756757
123 0UM 0.5 0.808219
124 ADQ 0.5 0.821918
125 DSZ 0.5 0.714286
126 PAJ 0.5 0.769231
127 BIS 0.494382 0.766234
128 JB6 0.494382 0.766234
129 3OD 0.494382 0.797297
130 00A 0.494253 0.74359
131 62X 0.494253 0.74359
132 DLL 0.494253 0.783784
133 AHX 0.494253 0.779221
134 NVA LMS 0.494253 0.678161
135 RP1 0.493151 0.77027
136 ACK 0.493151 0.785714
137 SP1 0.493151 0.77027
138 3L1 0.492537 0.878788
139 3D1 0.492537 0.878788
140 KB1 0.488889 0.783784
141 A6D 0.488636 0.786667
142 OAD 0.488636 0.797297
143 ADP BMA 0.488636 0.821918
144 3UK 0.488636 0.773333
145 K15 0.488636 0.763158
146 LEU LMS 0.488636 0.678161
147 2FA 0.485294 0.895522
148 26A 0.485294 0.865672
149 P5A 0.483146 0.681818
150 WAQ 0.483146 0.74359
151 GSU 0.483146 0.694118
152 A A 0.483146 0.794521
153 PR8 0.483146 0.7375
154 LAD 0.483146 0.746835
155 KAA 0.483146 0.689655
156 PAP 0.481481 0.805556
157 CMP 0.480519 0.8
158 2BA 0.480519 0.788732
159 A2P 0.480519 0.777778
160 5F1 0.478261 0.80597
161 SXZ 0.477778 0.797297
162 PTJ 0.477778 0.734177
163 ME8 0.477778 0.728395
164 1ZZ 0.477778 0.707317
165 NB8 0.477778 0.75641
166 TXA 0.477778 0.786667
167 FYA 0.477778 0.783784
168 MYR AMP 0.472527 0.707317
169 25L 0.472527 0.808219
170 MTP 0.470588 0.852941
171 4UV 0.468085 0.753247
172 7D3 0.467532 0.76
173 9SN 0.467391 0.734177
174 PPS 0.464286 0.7375
175 1DA 0.463768 0.967742
176 6MD 0.463768 0.921875
177 NOC 0.462687 0.873016
178 ATP A A A 0.462366 0.805556
179 YAP 0.462366 0.753247
180 FA5 0.462366 0.763158
181 D3Y 0.45977 0.895522
182 XAH 0.457447 0.728395
183 TYR AMP 0.457447 0.763158
184 YSA 0.457447 0.694118
185 2VA 0.45679 0.909091
186 AMP DBH 0.452632 0.797297
187 V3L 0.452381 0.794521
188 2A5 0.451219 0.773333
189 7C5 0.447917 0.794521
190 G3A 0.447917 0.75641
191 NVA 2AD 0.445783 0.84058
192 ATR 0.445783 0.791667
193 7D4 0.444444 0.76
194 4UU 0.443299 0.753247
195 AFH 0.443299 0.769231
196 7MD 0.443299 0.75
197 AR6 AR6 0.443299 0.794521
198 G5P 0.443299 0.75641
199 ARJ 0.442857 0.828125
200 VRT 0.440476 0.869565
201 SO8 0.440476 0.895522
202 KH3 0.438776 0.776316
203 4YB 0.438776 0.678161
204 GTA 0.438776 0.728395
205 TAD 0.438776 0.769231
206 3NZ 0.434783 0.857143
207 LAQ 0.434343 0.728395
208 ARG AMP 0.434343 0.719512
209 AHZ 0.434343 0.728395
210 COD 0.433962 0.72619
211 A2R 0.431818 0.808219
212 UPA 0.431373 0.789474
213 LPA AMP 0.43 0.728395
214 YLP 0.43 0.710843
215 48N 0.43 0.75641
216 101 0.428571 0.756757
217 UP5 0.425743 0.776316
218 TXD 0.425743 0.766234
219 NXX 0.425743 0.786667
220 6V0 0.425743 0.75641
221 4UW 0.425743 0.725
222 NAI 0.425743 0.766234
223 DND 0.425743 0.786667
224 NAX 0.425743 0.7375
225 A A A 0.423913 0.783784
226 AFX 0.422535 0.742857
227 OMR 0.421569 0.719512
228 LA8 ALF 3PG 0.421569 0.725
229 649 0.421569 0.662921
230 ALF ADP 3PG 0.421569 0.725
231 WSA 0.421569 0.702381
232 AF3 ADP 3PG 0.421569 0.725
233 TXE 0.421569 0.766234
234 TYM 0.421569 0.763158
235 AP0 0.417476 0.75641
236 4TC 0.417476 0.75641
237 YLC 0.417476 0.728395
238 YLB 0.417476 0.710843
239 7MC 0.417476 0.731707
240 BS5 0.415094 0.693182
241 A4P 0.413462 0.714286
242 6CR 0.410959 0.882353
243 5J9 0.410526 0.75
244 IOT 0.409524 0.702381
245 AV2 0.409091 0.746667
246 PO4 PO4 A A A A PO4 0.408602 0.777778
247 V1N 0.408163 0.794521
248 BTX 0.407407 0.710843
249 139 0.40566 0.759494
250 YLA 0.40566 0.710843
251 T5A 0.40566 0.710843
252 ADJ 0.40566 0.719512
253 DA 0.405063 0.733333
254 D5M 0.405063 0.733333
255 BT5 0.40367 0.702381
256 DZD 0.40367 0.746835
257 IVH 0.402439 0.835616
258 3AT 0.402299 0.794521
259 AYB 0.401869 0.702381
260 CNA 0.401869 0.786667
261 0XU 0.4 0.823529
262 AS 0.4 0.717949
263 IMO 0.4 0.753425
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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