Receptor
PDB id Resolution Class Description Source Keywords
3DHY 2 Å EC: 3.3.1.1 CRYSTAL STRUCTURES OF MYCOBACTERIUM TUBERCULOSIS S-ADENOSYL- HOMOCYSTEINE HYDROLASE IN TERNARY COMPLEX WITH SUBSTRATE ANI NHIBITORS MYCOBACTERIUM TUBERCULOSIS PROTEIN-SUBSTRATE COMPLEX DIMER OF DIMERS NAD BINDING DOMAAMINO ACID INSERTION SOLVENT ACCESS CHANNEL STRUCTURAL GETUBERCULOSIS STRUCTURAL GENOMICS CONSORTIUM TB STRUCTURAL CONSORTIUM TBSGC CYTOPLASM HYDROLASE NAD ONE-CARBON ME
Ref.: CRYSTAL STRUCTURES OF MYCOBACTERIUM TUBERCULOSIS S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE IN TERNARY COMP SUBSTRATE AND INHIBITORS. PROTEIN SCI. V. 17 2134 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3DH A:500;
B:500;
C:500;
D:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
311.36 C12 H17 N5 O3 S CCSC[...
NAD A:550;
B:550;
C:550;
D:550;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZJ1 2.01 Å EC: 3.3.1.1 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS S-ADENOSYL-L HOMOCYSTEINE HYDROLASE IN TERNARY COMPLEX WITH NAD AND 3'-KA RISTEROMYCIN MYCOBACTERIUM TUBERCULOSIS PROTEIN-SUBSTRATE COMPLEX DIMER OF DIMERS NAD BINDING DOMAAMINO ACID INSERTIONAL REGION HYDROLASE ONE-CARBON METABO
Ref.: CRYSTAL STRUCTURES OF MYCOBACTERIUM TUBERCULOSIS S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE IN TERNARY COMP SUBSTRATE AND INHIBITORS. PROTEIN SCI. V. 17 2134 2008
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3DHY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2ZJ0 ic50 = 66 uM 2FA C10 H12 F N5 O4 c1nc2c(nc(....
3 2ZJ1 ic50 = 0.2 uM ARJ C11 H13 N5 O3 c1nc(c2c(n....
4 3CE6 ic50 ~ 500 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
5 2ZIZ ic50 = 20 uM AD3 C11 H14 N4 O4 c1cnc(c2c1....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3ONE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 3ONF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3OND ic50 = 67 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
4 6EXI - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 5M5K - ADN C10 H13 N5 O4 c1nc(c2c(n....
6 5M65 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5M67 - ADE C5 H5 N5 c1[nH]c2c(....
8 5M66 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 3DHY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 2ZJ0 ic50 = 66 uM 2FA C10 H12 F N5 O4 c1nc2c(nc(....
11 2ZJ1 ic50 = 0.2 uM ARJ C11 H13 N5 O3 c1nc(c2c(n....
12 3CE6 ic50 ~ 500 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
13 2ZIZ ic50 = 20 uM AD3 C11 H14 N4 O4 c1cnc(c2c1....
14 1V8B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3ONE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 3OND ic50 = 67 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
3 6EXI - ADN C10 H13 N5 O4 c1nc(c2c(n....
4 5M5K - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 5M67 - ADE C5 H5 N5 c1[nH]c2c(....
6 5M66 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 3X2F - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
8 3DHY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 2ZJ0 ic50 = 66 uM 2FA C10 H12 F N5 O4 c1nc2c(nc(....
10 3CE6 ic50 ~ 500 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
11 2ZIZ ic50 = 20 uM AD3 C11 H14 N4 O4 c1cnc(c2c1....
12 1V8B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 1LI4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 6F3N Kd = 1.2 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3DH; Similar ligands found: 271
No: Ligand ECFP6 Tc MDL keys Tc
1 3DH 1 1
2 DTA 0.790323 0.867647
3 MTA 0.777778 0.938462
4 DSH 0.761194 0.84507
5 A7D 0.708333 0.882353
6 RAB 0.704918 0.878788
7 XYA 0.704918 0.878788
8 ADN 0.704918 0.878788
9 5X8 0.689189 0.895522
10 5N5 0.68254 0.878788
11 A4D 0.671875 0.907692
12 5CD 0.671875 0.892308
13 EP4 0.666667 0.882353
14 SAH 0.662338 0.869565
15 M2T 0.656716 0.884058
16 A 0.633803 0.794521
17 LMS 0.633803 0.719512
18 AMP 0.633803 0.794521
19 5AS 0.626667 0.717647
20 SXZ 0.609195 0.824324
21 ABM 0.608108 0.821918
22 J7C 0.608108 0.794521
23 A5D 0.607595 0.867647
24 S8M 0.607143 0.833333
25 SRA 0.60274 0.776316
26 6RE 0.60274 0.783784
27 AOC 0.594595 0.880597
28 5AD 0.59375 0.857143
29 ZAS 0.589041 0.816901
30 A3N 0.586667 0.867647
31 A2D 0.586667 0.773333
32 AAT 0.585366 0.797297
33 S4M 0.578947 0.815789
34 GJV 0.578947 0.773333
35 PRX 0.575 0.8
36 NEC 0.573333 0.850746
37 MAO 0.571429 0.782051
38 A12 0.571429 0.74359
39 BA3 0.571429 0.773333
40 AP2 0.571429 0.74359
41 ADX 0.56962 0.719512
42 AU1 0.56962 0.753247
43 M33 0.56962 0.786667
44 MHZ 0.56962 0.782051
45 AP5 0.564103 0.773333
46 ADP 0.564103 0.773333
47 B4P 0.564103 0.773333
48 G5A 0.560976 0.678161
49 A5A 0.559524 0.722892
50 AT4 0.556962 0.766234
51 SON 0.556962 0.74359
52 AN2 0.556962 0.763158
53 NVA LMS 0.556818 0.693182
54 CA0 0.55 0.753247
55 54H 0.546512 0.705882
56 VMS 0.546512 0.705882
57 52H 0.546512 0.697674
58 HEJ 0.54321 0.773333
59 ACP 0.54321 0.753247
60 50T 0.54321 0.763158
61 ATP 0.54321 0.773333
62 TSB 0.54023 0.714286
63 53H 0.54023 0.697674
64 8X1 0.54023 0.655556
65 7D7 0.537313 0.794118
66 5FA 0.536585 0.773333
67 AQP 0.536585 0.773333
68 APC 0.536585 0.74359
69 APR 0.536585 0.773333
70 AR6 0.536585 0.773333
71 Y3J 0.536232 0.80303
72 ANP 0.535714 0.753247
73 T99 0.535714 0.766234
74 TAT 0.535714 0.766234
75 S7M 0.534884 0.875
76 SSA 0.534884 0.678161
77 A6D 0.533333 0.766234
78 LEU LMS 0.533333 0.674157
79 ADP PO3 0.53012 0.794521
80 RBY 0.53012 0.74359
81 SA8 0.53012 0.847222
82 ADV 0.53012 0.74359
83 AGS 0.53012 0.75641
84 AD9 0.53012 0.753247
85 SAP 0.53012 0.75641
86 EEM 0.529412 0.824324
87 5AL 0.529412 0.786667
88 0UM 0.52809 0.810811
89 NSS 0.52809 0.678161
90 LSS 0.52809 0.681818
91 SFG 0.52439 0.826087
92 5CA 0.522727 0.678161
93 GAP 0.517647 0.753247
94 ACQ 0.517647 0.753247
95 SAM 0.517647 0.849315
96 SMM 0.517241 0.815789
97 5SV 0.516854 0.782051
98 8QN 0.516854 0.786667
99 9ZA 0.516854 0.746835
100 9ZD 0.516854 0.746835
101 K15 0.516484 0.837838
102 3AM 0.513158 0.756757
103 A3G 0.512821 0.828571
104 DSZ 0.511111 0.678161
105 SAI 0.505882 0.830986
106 ALF ADP 0.505747 0.734177
107 ATF 0.505747 0.74359
108 ADP ALF 0.505747 0.734177
109 MAP 0.505618 0.734177
110 DAL AMP 0.505618 0.786667
111 AHX 0.505495 0.716049
112 VO4 ADP 0.5 0.763158
113 25A 0.5 0.773333
114 ADP VO4 0.5 0.763158
115 SRP 0.5 0.74359
116 6YZ 0.5 0.753247
117 TAD 0.494949 0.728395
118 KAA 0.494624 0.655556
119 WAQ 0.494624 0.725
120 P5A 0.494624 0.648352
121 GSU 0.494624 0.678161
122 4AD 0.494505 0.734177
123 PAJ 0.494505 0.728395
124 TT8 0.494382 0.871429
125 NVA 2AD 0.494118 0.833333
126 A3P 0.493827 0.77027
127 9K8 0.489362 0.693182
128 TXA 0.489362 0.766234
129 1ZZ 0.489362 0.753086
130 ME8 0.489362 0.775
131 62X 0.48913 0.792208
132 DLL 0.48913 0.763158
133 A22 0.488889 0.763158
134 A3T 0.488095 0.880597
135 7D5 0.486842 0.714286
136 3AD 0.486111 0.863636
137 MYR AMP 0.484211 0.753086
138 OAD 0.483871 0.776316
139 9X8 0.483871 0.779221
140 OOB 0.483516 0.763158
141 GEK 0.483516 0.833333
142 A3S 0.481928 0.84058
143 2AM 0.480519 0.746667
144 6MD 0.479452 0.865672
145 ADQ 0.478261 0.753247
146 AMO 0.478261 0.74359
147 A3R 0.478261 0.725
148 A1R 0.478261 0.725
149 8PZ 0.474227 0.678161
150 3OD 0.473684 0.776316
151 PTJ 0.473684 0.7375
152 NB8 0.473684 0.716049
153 00A 0.473118 0.725
154 CC5 0.471429 0.876923
155 SO8 0.471264 0.869565
156 VRT 0.471264 0.84507
157 2VA 0.470588 0.855072
158 XAH 0.469388 0.690476
159 YSA 0.469388 0.678161
160 3UK 0.468085 0.753247
161 ADP BMA 0.468085 0.753247
162 3L1 0.465753 0.8
163 MTP 0.465753 0.802817
164 3D1 0.465753 0.8
165 AMP DBH 0.464646 0.753247
166 LAD 0.463158 0.707317
167 PR8 0.463158 0.698795
168 B5V 0.463158 0.74359
169 A A 0.463158 0.773333
170 OVE 0.4625 0.74026
171 26A 0.459459 0.84058
172 B5Y 0.459184 0.75641
173 B5M 0.459184 0.75641
174 BIS 0.458333 0.725
175 FYA 0.458333 0.763158
176 NOC 0.458333 0.791045
177 JB6 0.458333 0.746835
178 A2P 0.457831 0.756757
179 YLP 0.456311 0.714286
180 QQX 0.455696 0.714286
181 ARG AMP 0.455446 0.682353
182 25L 0.453608 0.763158
183 KB1 0.453608 0.786667
184 5F1 0.453333 0.782609
185 4YB 0.45098 0.662921
186 KH3 0.45098 0.826667
187 QQY 0.45 0.723684
188 SP1 0.45 0.75
189 RP1 0.45 0.75
190 TYR AMP 0.45 0.734177
191 ACK 0.45 0.739726
192 9SN 0.44898 0.716049
193 OMR 0.447619 0.743902
194 AHZ 0.446602 0.753086
195 PPS 0.444444 0.698795
196 FA5 0.444444 0.74359
197 ATP A A A 0.444444 0.783784
198 YAP 0.444444 0.734177
199 YLB 0.443396 0.714286
200 PAP 0.443182 0.76
201 7MD 0.441176 0.690476
202 GA7 0.441176 0.766234
203 2BA 0.440476 0.767123
204 CMP 0.440476 0.777778
205 2FA 0.44 0.816901
206 DQV 0.436893 0.763158
207 GTA 0.436893 0.710843
208 4UV 0.435644 0.734177
209 649 0.433962 0.648352
210 WSA 0.433962 0.686047
211 V3L 0.433333 0.773333
212 LAQ 0.432692 0.710843
213 7C5 0.431373 0.773333
214 G3A 0.431373 0.716049
215 AP0 0.429907 0.759494
216 7MC 0.429907 0.694118
217 YLC 0.429907 0.710843
218 8Q2 0.429907 0.655556
219 J1A 0.429825 0.740741
220 48N 0.428571 0.7375
221 LPA AMP 0.428571 0.710843
222 7D3 0.428571 0.696203
223 J1B 0.42735 0.688889
224 AYB 0.427273 0.705882
225 AFH 0.427184 0.707317
226 AR6 AR6 0.427184 0.773333
227 4UU 0.427184 0.734177
228 G5P 0.427184 0.716049
229 D3Y 0.425532 0.816901
230 NAI 0.424528 0.725
231 UP5 0.424528 0.734177
232 4UW 0.424528 0.728395
233 IOT 0.422018 0.666667
234 D5M 0.421687 0.714286
235 DA 0.421687 0.714286
236 ARJ 0.421053 0.776119
237 1DA 0.421053 0.878788
238 TXE 0.420561 0.725
239 IVH 0.418605 0.837838
240 3NZ 0.418367 0.808219
241 IMO 0.416667 0.733333
242 J1C 0.416667 0.67033
243 UPA 0.416667 0.725
244 4TC 0.416667 0.716049
245 2A5 0.41573 0.708861
246 CNA 0.414414 0.74359
247 MTH 0.4125 0.923077
248 EO7 0.411765 0.686047
249 NXX 0.411215 0.74359
250 6V0 0.411215 0.716049
251 NAX 0.411215 0.698795
252 DND 0.411215 0.74359
253 TXD 0.411215 0.746835
254 ATR 0.411111 0.746667
255 F2R 0.410714 0.674419
256 7D4 0.409091 0.696203
257 A A A 0.408163 0.763158
258 TYM 0.407407 0.74359
259 AF3 ADP 3PG 0.407407 0.707317
260 COD 0.40708 0.689655
261 T5A 0.405405 0.694118
262 ADJ 0.405405 0.702381
263 139 0.405405 0.698795
264 YLA 0.405405 0.674419
265 F0P 0.40367 0.797297
266 6IA 0.402174 0.728395
267 BS5 0.401786 0.641304
268 80F 0.4 0.694118
269 A4P 0.4 0.659091
270 AS 0.4 0.7
271 A2R 0.4 0.763158
Ligand no: 2; Ligand: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZJ1; Ligand: ARJ; 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: 2zj1.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2ZJ1; Ligand: ARJ; 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: 2zj1.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ZJ1; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2zj1.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2ZJ1; Ligand: ARJ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2zj1.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2ZJ1; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2zj1.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2ZJ1; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2zj1.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2ZJ1; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2zj1.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2ZJ1; Ligand: ARJ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2zj1.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
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