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: 277
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 54H 0.788235 0.987952
6 VMS 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 0.898876
11 LEU LMS 0.744444 0.942529
12 DSZ 0.741573 0.908046
13 NSS 0.741573 0.908046
14 G5A 0.729412 0.908046
15 KAA 0.717391 0.877778
16 GSU 0.717391 0.908046
17 5AS 0.698795 0.908046
18 8X1 0.681319 0.877778
19 YSA 0.680412 0.908046
20 LMS 0.646341 0.939759
21 P5A 0.645833 0.868132
22 8PZ 0.636364 0.908046
23 WSA 0.628571 0.918605
24 B1U 0.613861 0.858696
25 8Q2 0.592593 0.877778
26 4YB 0.590476 0.88764
27 SON 0.577778 0.772727
28 AMP 0.569767 0.776471
29 A 0.569767 0.776471
30 649 0.568807 0.868132
31 5AL 0.568421 0.811765
32 ABM 0.568182 0.77907
33 45A 0.568182 0.77907
34 PAJ 0.565657 0.818182
35 AHX 0.56 0.766667
36 CA0 0.554348 0.781609
37 8LE 0.552083 0.847059
38 A2D 0.550562 0.77907
39 KG4 0.548387 0.781609
40 3DH 0.546512 0.697674
41 SRA 0.545455 0.802326
42 8LQ 0.545455 0.793103
43 TXA 0.543689 0.793103
44 PTJ 0.543689 0.827586
45 8LH 0.540816 0.793103
46 9ZA 0.54 0.816092
47 9ZD 0.54 0.816092
48 8QN 0.54 0.811765
49 AOC 0.539326 0.697674
50 BA3 0.538462 0.77907
51 AP2 0.538462 0.752809
52 A12 0.538462 0.752809
53 AU1 0.537634 0.781609
54 M33 0.537634 0.790698
55 ADX 0.537634 0.894118
56 ADN 0.5375 0.694118
57 RAB 0.5375 0.694118
58 XYA 0.5375 0.694118
59 5CD 0.536585 0.682353
60 SLU 0.533898 0.897727
61 B4P 0.532609 0.77907
62 ADP 0.532609 0.77907
63 AP5 0.532609 0.77907
64 5X8 0.531915 0.689655
65 DAL AMP 0.53 0.790698
66 AN2 0.526882 0.790698
67 AT4 0.526882 0.793103
68 ADP MG 0.526882 0.776471
69 PRX 0.526316 0.761364
70 GAP 0.525773 0.761364
71 SRP 0.525253 0.772727
72 5N5 0.52439 0.674419
73 XAH 0.523364 0.741935
74 AMO 0.519608 0.772727
75 A4D 0.518072 0.694118
76 EP4 0.517647 0.701149
77 HEJ 0.515789 0.77907
78 ATP 0.515789 0.77907
79 50T 0.515789 0.75
80 ACP 0.515789 0.761364
81 NB8 0.514286 0.766667
82 9K8 0.514286 0.778947
83 DTA 0.511628 0.709302
84 M2T 0.511628 0.724138
85 AR6 0.510417 0.77907
86 5FA 0.510417 0.77907
87 APR 0.510417 0.77907
88 AQP 0.510417 0.77907
89 APC 0.510417 0.752809
90 ANP 0.510204 0.781609
91 MTA 0.505747 0.697674
92 AD9 0.505155 0.761364
93 APC MG 0.505155 0.758621
94 ADV 0.505155 0.752809
95 SAP 0.505155 0.804598
96 ATP MG 0.505155 0.776471
97 SA8 0.505155 0.645161
98 ADP PO3 0.505155 0.776471
99 RBY 0.505155 0.752809
100 AGS 0.505155 0.804598
101 4AD 0.504854 0.764045
102 ATF 0.5 0.752809
103 DLL 0.5 0.790698
104 H1Q 0.5 0.767442
105 ME8 0.5 0.76087
106 48N 0.495575 0.766667
107 7MD 0.495495 0.741935
108 3UK 0.495238 0.781609
109 OAD 0.495238 0.802326
110 OOB 0.495146 0.790698
111 T99 0.494949 0.793103
112 ACQ 0.494949 0.761364
113 TAT 0.494949 0.793103
114 6RE 0.494505 0.634409
115 9SN 0.490741 0.747253
116 LAD 0.490566 0.73913
117 BIS 0.485981 0.736264
118 3OD 0.485981 0.802326
119 1ZZ 0.485981 0.741935
120 00A 0.485714 0.755556
121 MAP 0.485437 0.764045
122 A22 0.485437 0.770115
123 ADP ALF 0.485149 0.725275
124 ALF ADP 0.485149 0.725275
125 SAH 0.484848 0.674157
126 A3T 0.484536 0.717647
127 SFG 0.484536 0.659091
128 A3N 0.483871 0.651685
129 J7C 0.483871 0.641304
130 COD 0.483333 0.776596
131 7MC 0.482759 0.744681
132 MYR AMP 0.481481 0.723404
133 9X8 0.481132 0.804598
134 5SV 0.480769 0.728261
135 25A 0.480769 0.77907
136 SMM 0.480392 0.680851
137 6YZ 0.480392 0.761364
138 S7M 0.480392 0.666667
139 VO4 ADP 0.480392 0.770115
140 ADP VO4 0.480392 0.770115
141 SAM 0.48 0.666667
142 A7D 0.479167 0.681818
143 S4M 0.478723 0.628866
144 GJV 0.478723 0.62766
145 AMP DBH 0.477477 0.722222
146 WAQ 0.476636 0.755556
147 PR8 0.476636 0.731183
148 B5V 0.476636 0.772727
149 ADQ 0.47619 0.761364
150 A1R 0.47619 0.736264
151 HQG 0.475728 0.770115
152 EEM 0.475248 0.631579
153 MAO 0.473684 0.691489
154 NEC 0.473118 0.655172
155 DSH 0.473118 0.641304
156 FA5 0.472727 0.772727
157 B5M 0.472727 0.784091
158 YAP 0.472727 0.764045
159 B5Y 0.472727 0.784091
160 FYA 0.472222 0.75
161 JB6 0.472222 0.775281
162 SAI 0.47 0.648352
163 YLP 0.469565 0.726316
164 ARG AMP 0.469027 0.697917
165 ZAS 0.467391 0.674157
166 ADP BMA 0.46729 0.741573
167 OZV 0.466667 0.77907
168 TYR AMP 0.464286 0.744444
169 A3S 0.463918 0.689655
170 0UM 0.462264 0.638298
171 A3R 0.462264 0.736264
172 LAQ 0.46087 0.76087
173 7C5 0.460177 0.7
174 MHZ 0.459184 0.639175
175 SXZ 0.458716 0.703297
176 5AD 0.457831 0.650602
177 YLC 0.457627 0.741935
178 YLB 0.457627 0.726316
179 A3G 0.457447 0.681818
180 LPA AMP 0.456897 0.741935
181 GA7 0.45614 0.752809
182 4UU 0.45614 0.764045
183 25L 0.454545 0.770115
184 K15 0.453704 0.625
185 4UW 0.452991 0.758242
186 DQV 0.452174 0.790698
187 TAD 0.452174 0.758242
188 4UV 0.451327 0.764045
189 F2R 0.45082 0.708333
190 A A 0.449541 0.758621
191 OMR 0.449153 0.734043
192 TXE 0.449153 0.755556
193 AF3 ADP 3PG 0.449153 0.72043
194 TYM 0.449153 0.772727
195 AHZ 0.448276 0.741935
196 EO7 0.447917 0.896552
197 A5D 0.445545 0.709302
198 KOY 0.444444 0.704545
199 62X 0.444444 0.645833
200 AFH 0.443478 0.72043
201 AYB 0.442623 0.71875
202 N5O 0.442105 0.651685
203 3AM 0.44086 0.744186
204 6V0 0.440678 0.747253
205 NXX 0.440678 0.772727
206 NAX 0.440678 0.731183
207 DND 0.440678 0.772727
208 TXD 0.440678 0.755556
209 2VA 0.44 0.741176
210 GTA 0.439655 0.741935
211 GEK 0.439252 0.688889
212 IOT 0.438017 0.701031
213 Y3J 0.436782 0.616279
214 J4G 0.436364 0.764045
215 YLA 0.434426 0.708333
216 ATP A 0.433628 0.767442
217 ATP A A A 0.433628 0.767442
218 AP0 0.433333 0.747253
219 N5A 0.43299 0.629214
220 NVA 2AD 0.431373 0.67033
221 AR6 AR6 0.431034 0.758621
222 CNA 0.430894 0.772727
223 NAI 0.428571 0.755556
224 A2P 0.428571 0.764706
225 A3P 0.428571 0.776471
226 A3D 0.428571 0.802326
227 SO8 0.427184 0.712644
228 VRT 0.427184 0.677778
229 3NZ 0.423423 0.688889
230 T5A 0.422764 0.726316
231 G3A 0.422414 0.747253
232 594 0.421875 0.795918
233 BT5 0.420635 0.71875
234 DZD 0.420635 0.73913
235 7D5 0.419355 0.707865
236 AAT 0.419048 0.62766
237 G5P 0.418803 0.747253
238 YLY 0.418605 0.71875
239 7D7 0.418605 0.632184
240 6MZ 0.418367 0.767442
241 80F 0.417323 0.726316
242 UP5 0.416667 0.764045
243 D3Y 0.416667 0.674157
244 FB0 0.416058 0.7
245 KB1 0.415929 0.621053
246 3AD 0.41573 0.682353
247 KH3 0.415254 0.618557
248 2AM 0.414894 0.735632
249 A6D 0.414414 0.677419
250 S8M 0.412844 0.688889
251 AMP NAD 0.412698 0.770115
252 NAD 0.412698 0.790698
253 4TA 0.412698 0.715789
254 NAQ 0.412214 0.786517
255 HZ2 0.411765 0.631579
256 ADJ 0.41129 0.697917
257 UPA 0.409836 0.755556
258 4TC 0.409836 0.747253
259 V3L 0.409524 0.77907
260 6IA 0.409524 0.73913
261 BS5 0.408 0.762887
262 67D 0.408 0.866667
263 A4P 0.406504 0.693878
264 PPS 0.40566 0.872093
265 HY8 0.404959 0.631579
266 NAE 0.40458 0.784091
267 ATR 0.403846 0.755814
268 PAP 0.403846 0.767442
269 NAJ PZO 0.403101 0.747253
270 CC5 0.402299 0.690476
271 OVE 0.402062 0.75
272 2SA 0.401869 0.752809
273 BTX 0.401575 0.726316
274 COA FLC 0.401515 0.757895
275 139 0.4 0.731183
276 DCA 0.4 0.75
277 ETB 0.4 0.757895
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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