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: 297
No: Ligand ECFP6 Tc MDL keys Tc
1 A4D 1 1
2 ADN 0.796296 0.967742
3 XYA 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 M2T 0.704918 0.855072
9 DTA 0.704918 0.893939
10 MTA 0.693548 0.907692
11 3DH 0.671875 0.907692
12 ZAS 0.651515 0.84058
13 AMP 0.651515 0.816901
14 A 0.651515 0.816901
15 LMS 0.651515 0.7375
16 SRA 0.641791 0.797297
17 6RE 0.641791 0.830986
18 5AD 0.637931 0.854839
19 AOC 0.632353 0.878788
20 DSH 0.632353 0.869565
21 A3N 0.623188 0.923077
22 J7C 0.623188 0.842857
23 45A 0.623188 0.794521
24 ABM 0.623188 0.794521
25 A2D 0.623188 0.819444
26 GJV 0.614286 0.819444
27 S4M 0.614286 0.789474
28 AT4 0.611111 0.810811
29 MAO 0.605634 0.734177
30 BA3 0.605634 0.819444
31 A12 0.605634 0.786667
32 AP2 0.605634 0.786667
33 7D7 0.6 0.846154
34 AP5 0.597222 0.819444
35 B4P 0.597222 0.819444
36 5AS 0.597222 0.714286
37 ADP 0.597222 0.819444
38 Y3J 0.596774 0.828125
39 SON 0.589041 0.763158
40 ADP MG 0.589041 0.816901
41 AN2 0.589041 0.808219
42 A7D 0.589041 0.909091
43 AU1 0.581081 0.797297
44 M33 0.581081 0.808219
45 ADX 0.581081 0.759494
46 CA0 0.581081 0.797297
47 MHZ 0.581081 0.75641
48 SFG 0.573333 0.850746
49 KG4 0.573333 0.797297
50 50T 0.573333 0.808219
51 H1Q 0.573333 0.805556
52 ATP 0.573333 0.819444
53 HEJ 0.573333 0.819444
54 5X8 0.573333 0.893939
55 ACP 0.573333 0.797297
56 APC 0.565789 0.786667
57 APR 0.565789 0.819444
58 PRX 0.565789 0.773333
59 5FA 0.565789 0.819444
60 AQP 0.565789 0.819444
61 AR6 0.565789 0.819444
62 3AM 0.565217 0.802817
63 TAT 0.564103 0.810811
64 T99 0.564103 0.810811
65 AD9 0.558442 0.797297
66 ADP PO3 0.558442 0.816901
67 APC MG 0.558442 0.794521
68 SA8 0.558442 0.794521
69 SAP 0.558442 0.8
70 RBY 0.558442 0.786667
71 ADV 0.558442 0.786667
72 AGS 0.558442 0.8
73 ATP MG 0.558442 0.816901
74 A5D 0.558442 0.893939
75 G5A 0.551282 0.714286
76 SAI 0.551282 0.828571
77 SAH 0.551282 0.867647
78 5CA 0.548781 0.73494
79 ANP 0.544304 0.797297
80 SAM 0.544304 0.797297
81 ACQ 0.544304 0.797297
82 GAP 0.544304 0.797297
83 S7M 0.54321 0.797297
84 A3G 0.541667 0.909091
85 NEC 0.541667 0.876923
86 3AD 0.538462 0.920635
87 EEM 0.5375 0.773333
88 8LE 0.5375 0.753247
89 5AL 0.5375 0.783784
90 AAT 0.5375 0.84507
91 A5A 0.530864 0.719512
92 ADP ALF 0.530864 0.753247
93 ALF ADP 0.530864 0.753247
94 ATF 0.530864 0.786667
95 2AM 0.528571 0.816901
96 OVE 0.527778 0.808219
97 A3S 0.526316 0.923077
98 6YZ 0.52439 0.797297
99 SSA 0.52439 0.73494
100 SRP 0.52439 0.786667
101 8LH 0.52439 0.786667
102 VO4 ADP 0.52439 0.783784
103 SMM 0.52439 0.766234
104 ADP VO4 0.52439 0.783784
105 GEK 0.52381 0.830986
106 CC5 0.52381 0.904762
107 N5O 0.520548 0.865672
108 A3P 0.52 0.791667
109 52H 0.518072 0.694118
110 HQG 0.518072 0.808219
111 54H 0.518072 0.702381
112 VMS 0.518072 0.702381
113 7D5 0.514286 0.756757
114 QQY 0.513889 0.767123
115 A3T 0.512821 0.9375
116 8LQ 0.511905 0.763158
117 TSB 0.511905 0.731707
118 MAP 0.511905 0.776316
119 A22 0.511905 0.808219
120 8X1 0.511905 0.689655
121 DAL AMP 0.511905 0.783784
122 53H 0.511905 0.694118
123 N5A 0.506667 0.863636
124 S8M 0.505882 0.830986
125 OOB 0.505882 0.783784
126 9ZA 0.505882 0.74359
127 OZV 0.505882 0.819444
128 5SV 0.505882 0.734177
129 8QN 0.505882 0.783784
130 9ZD 0.505882 0.74359
131 25A 0.505882 0.794521
132 ADQ 0.5 0.821918
133 AMO 0.5 0.786667
134 A1R 0.5 0.789474
135 A3R 0.5 0.789474
136 PAJ 0.5 0.769231
137 NSS 0.5 0.714286
138 0UM 0.5 0.808219
139 LSS 0.5 0.678161
140 DSZ 0.5 0.714286
141 QQX 0.5 0.756757
142 4AD 0.5 0.776316
143 3OD 0.494382 0.797297
144 JB6 0.494382 0.766234
145 BIS 0.494382 0.766234
146 AHX 0.494253 0.779221
147 DLL 0.494253 0.783784
148 00A 0.494253 0.74359
149 NVA LMS 0.494253 0.670455
150 62X 0.494253 0.74359
151 SP1 0.493151 0.77027
152 RP1 0.493151 0.77027
153 ACK 0.493151 0.785714
154 3D1 0.492537 0.878788
155 3L1 0.492537 0.878788
156 KB1 0.488889 0.783784
157 A6D 0.488636 0.786667
158 OAD 0.488636 0.797297
159 K15 0.488636 0.763158
160 LEU LMS 0.488636 0.670455
161 3UK 0.488636 0.773333
162 ADP BMA 0.488636 0.821918
163 9X8 0.488636 0.8
164 26A 0.485294 0.865672
165 2FA 0.485294 0.895522
166 WAQ 0.483146 0.74359
167 A A 0.483146 0.794521
168 PR8 0.483146 0.7375
169 GSU 0.483146 0.694118
170 KAA 0.483146 0.689655
171 B5V 0.483146 0.763158
172 LAD 0.483146 0.746835
173 P5A 0.483146 0.681818
174 PAP 0.481481 0.805556
175 2BA 0.480519 0.788732
176 CMP 0.480519 0.8
177 A2P 0.480519 0.777778
178 5F1 0.478261 0.80597
179 1ZZ 0.477778 0.707317
180 PTJ 0.477778 0.734177
181 ME8 0.477778 0.728395
182 SXZ 0.477778 0.797297
183 NB8 0.477778 0.75641
184 FYA 0.477778 0.783784
185 9K8 0.477778 0.670455
186 TXA 0.477778 0.786667
187 MYR AMP 0.472527 0.707317
188 25L 0.472527 0.808219
189 MTP 0.470588 0.852941
190 4UV 0.468085 0.753247
191 7D3 0.467532 0.76
192 9SN 0.467391 0.734177
193 PPS 0.464286 0.7375
194 1DA 0.463768 0.967742
195 6MD 0.463768 0.921875
196 NOC 0.462687 0.873016
197 8PZ 0.462366 0.714286
198 B5Y 0.462366 0.753247
199 ATP A A A 0.462366 0.805556
200 YAP 0.462366 0.753247
201 B5M 0.462366 0.753247
202 FA5 0.462366 0.763158
203 ATP A 0.462366 0.805556
204 D3Y 0.45977 0.895522
205 YSA 0.457447 0.694118
206 XAH 0.457447 0.728395
207 B1U 0.457447 0.655556
208 2VA 0.45679 0.909091
209 DQV 0.453608 0.808219
210 AMP DBH 0.452632 0.797297
211 TYR AMP 0.452632 0.753247
212 V3L 0.452381 0.794521
213 2A5 0.451219 0.773333
214 G3A 0.447917 0.75641
215 7C5 0.447917 0.794521
216 NVA 2AD 0.445783 0.857143
217 ATR 0.445783 0.791667
218 7D4 0.444444 0.76
219 ARG AMP 0.443299 0.719512
220 AR6 AR6 0.443299 0.794521
221 4UU 0.443299 0.753247
222 7MD 0.443299 0.75
223 AFH 0.443299 0.769231
224 G5P 0.443299 0.75641
225 GA7 0.443299 0.810811
226 ARJ 0.442857 0.828125
227 SO8 0.440476 0.895522
228 VRT 0.440476 0.869565
229 TAD 0.438776 0.769231
230 KH3 0.438776 0.776316
231 4YB 0.438776 0.678161
232 GTA 0.438776 0.728395
233 N37 0.435644 0.802817
234 3NZ 0.434783 0.857143
235 LAQ 0.434343 0.728395
236 HZ2 0.434343 0.821918
237 AHZ 0.434343 0.728395
238 ERJ 0.434211 0.920635
239 COD 0.433962 0.72619
240 A2R 0.431818 0.808219
241 UPA 0.431373 0.789474
242 YLP 0.43 0.710843
243 KOY 0.43 0.828571
244 LPA AMP 0.43 0.728395
245 OZP 0.43 0.794521
246 48N 0.43 0.75641
247 101 0.428571 0.756757
248 UP5 0.425743 0.776316
249 NAI 0.425743 0.766234
250 HY8 0.425743 0.821918
251 NXX 0.425743 0.786667
252 DND 0.425743 0.786667
253 NAX 0.425743 0.7375
254 4UW 0.425743 0.725
255 TXD 0.425743 0.766234
256 6V0 0.425743 0.75641
257 A A A 0.423913 0.783784
258 AFX 0.422535 0.742857
259 OMR 0.421569 0.719512
260 AF3 ADP 3PG 0.421569 0.725
261 TYM 0.421569 0.763158
262 649 0.421569 0.662921
263 TXE 0.421569 0.766234
264 WSA 0.421569 0.702381
265 J4G 0.419355 0.753247
266 8Q2 0.417476 0.689655
267 7MC 0.417476 0.731707
268 F0P 0.417476 0.794521
269 YLB 0.417476 0.710843
270 YLC 0.417476 0.728395
271 4TC 0.417476 0.75641
272 AP0 0.417476 0.75641
273 BS5 0.415094 0.693182
274 A4P 0.413462 0.714286
275 6CR 0.410959 0.882353
276 5J9 0.410526 0.75
277 IOT 0.409524 0.702381
278 AV2 0.409091 0.746667
279 PO4 PO4 A A A A PO4 0.408602 0.777778
280 V1N 0.408163 0.794521
281 BTX 0.407407 0.710843
282 AMP NAD 0.407407 0.783784
283 ADJ 0.40566 0.719512
284 139 0.40566 0.759494
285 T5A 0.40566 0.710843
286 YLA 0.40566 0.710843
287 D5M 0.405063 0.733333
288 DA 0.405063 0.733333
289 DZD 0.40367 0.746835
290 BT5 0.40367 0.702381
291 IVH 0.402439 0.835616
292 3AT 0.402299 0.794521
293 AYB 0.401869 0.702381
294 CNA 0.401869 0.786667
295 AS 0.4 0.717949
296 0XU 0.4 0.823529
297 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 with APoc: 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 Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3COW; Ligand: 52H; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3cow.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
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