Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARJ A:500;
B:500;
C:500;
D:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 0.2 uM
263.253 C11 H13 N5 O3 c1nc(...
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 6 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 (13)
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 3ONF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3OND ic50 = 67 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
4 3DHY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 2ZJ0 ic50 = 66 uM 2FA C10 H12 F N5 O4 c1nc2c(nc(....
6 2ZJ1 ic50 = 0.2 uM ARJ C11 H13 N5 O3 c1nc(c2c(n....
7 3CE6 ic50 ~ 500 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
8 2ZIZ ic50 = 20 uM AD3 C11 H14 N4 O4 c1cnc(c2c1....
9 5M5K - ADN C10 H13 N5 O4 c1nc(c2c(n....
10 5M65 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 5M67 - ADE C5 H5 N5 c1[nH]c2c(....
12 5M66 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 1V8B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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 3X2F - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
5 3DHY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 2ZJ0 ic50 = 66 uM 2FA C10 H12 F N5 O4 c1nc2c(nc(....
7 2ZJ1 ic50 = 0.2 uM ARJ C11 H13 N5 O3 c1nc(c2c(n....
8 3CE6 ic50 ~ 500 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
9 2ZIZ ic50 = 20 uM AD3 C11 H14 N4 O4 c1cnc(c2c1....
10 5M5K - ADN C10 H13 N5 O4 c1nc(c2c(n....
11 5M65 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 5M67 - ADE C5 H5 N5 c1[nH]c2c(....
13 5M66 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1V8B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3NJ4 ic50 = 0.48 uM AFX C11 H10 F N5 O3 c1nc(c2c(n....
16 5W49 ic50 = 8 uM 9W1 C20 H22 N6 O3 Cc1cc(cc(n....
17 1LI4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARJ; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 ARJ 1 1
2 NOC 0.571429 0.948276
3 AFX 0.478261 0.857143
4 3AD 0.463768 0.870968
5 3D1 0.463768 0.830769
6 3L1 0.463768 0.830769
7 5N5 0.449275 0.828125
8 7D7 0.447761 0.796875
9 A4D 0.442857 0.828125
10 ADN 0.441176 0.857143
11 XYA 0.441176 0.857143
12 RAB 0.441176 0.857143
13 5AD 0.432836 0.774194
14 MTA 0.432432 0.776119
15 5F1 0.430556 0.757576
16 CC5 0.426471 0.825397
17 S4M 0.425 0.701299
18 EP4 0.424658 0.753623
19 101 0.423077 0.736111
20 5CD 0.422535 0.8125
21 2AM 0.421053 0.746479
22 3DH 0.421053 0.776119
23 M2T 0.418919 0.732394
24 DSH 0.417722 0.771429
25 D5M 0.417722 0.712329
26 DA 0.417722 0.712329
27 3AM 0.415584 0.757143
28 103 0.410256 0.671233
29 ACK 0.410256 0.73913
30 QQY 0.410256 0.69863
31 7D5 0.407895 0.712329
32 OVE 0.405063 0.716216
33 DAT 0.4 0.693333
34 DTA 0.4 0.764706
35 NEC 0.4 0.8
36 A3G 0.4 0.861538
Ligand no: 2; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZJ1; Ligand: ARJ; Similar sites found: 159
This union binding pocket(no: 1) in the query (biounit: 2zj1.bio1) has 51 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WQQ NDP 0.0001501 0.40871 1.02459
2 3WQQ IB3 0.0001501 0.40871 1.02459
3 4KP7 NAP 0.0004357 0.40562 1.17096
4 4KP7 1UQ 0.0003587 0.40138 1.17096
5 1OMO NAD 0.0000006885 0.41538 1.5528
6 2A92 NAI 0.00002853 0.40776 1.86916
7 2IVD FAD 0.00245 0.41265 1.88285
8 1GUZ NAD 0.00000402 0.41925 1.93548
9 1YJQ NAP 0.00003556 0.40318 1.9802
10 2I3G NAP 0.0006488 0.44722 1.98864
11 1PZG A3D 0.00001416 0.42849 2.1148
12 2JHF NAD 0.00007658 0.47584 2.13904
13 1U3U NAD 0.000001188 0.47093 2.13904
14 1U3U BNF 0.000001188 0.47093 2.13904
15 5JCM FAD 0.001848 0.40079 2.21729
16 5JCM ISD 0.002032 0.40079 2.21729
17 5JCM NAD 0.001848 0.40079 2.21729
18 1GQ2 NAP 0.000006565 0.41009 2.22222
19 1GET NAP 0.001862 0.40201 2.22222
20 3O9Z AKG 0.0004902 0.42036 2.24359
21 3O9Z NAD 0.0006867 0.41351 2.24359
22 1GEG NAD 0.004681 0.41531 2.34375
23 1D1T NAD 0.0000002917 0.45601 2.41287
24 2FZW NAD 0.000004701 0.45489 2.41287
25 4CMI NAP 0.003397 0.42348 2.43056
26 3JQG NAP 0.004302 0.42178 2.43056
27 5JCJ NAP 0.003843 0.42127 2.43056
28 4CM4 NAP 0.004486 0.4185 2.43056
29 5AYV KPL 0.00007111 0.40188 2.589
30 4OPC PGT 0.006009 0.4007 2.64901
31 4L8V NAP 0.00002287 0.40234 2.67062
32 3L4S 3PG 0.00003466 0.40323 2.67857
33 1Z82 NDP 0.0001942 0.47803 2.68657
34 4ZVV GN0 0.00002035 0.43037 2.71084
35 4ZVV NAD 0.00002035 0.43037 2.71084
36 3A28 NAD 0.01084 0.40049 2.71318
37 5EVY FAD 0.008599 0.41941 2.73973
38 3OA2 NAD 0.00009941 0.48657 2.83019
39 3HAD NAD 0.0005626 0.40308 2.92208
40 2IU8 UD1 0.03755 0.40312 2.94118
41 1Q1R FAD 0.001281 0.42083 3.01624
42 5AWQ GLC GLC 0.003906 0.48024 3.0303
43 3W25 XYP XYP 0.02802 0.4226 3.27381
44 2DT5 NAD 0.00000439 0.54229 3.31754
45 5UAV NDP 0.00001519 0.42201 3.41615
46 5UAV TFB 0.00001519 0.42201 3.41615
47 2EV9 NAP 0.000001442 0.43621 3.42205
48 2EV9 SKM 0.000001442 0.43621 3.42205
49 3QJ4 FAD 0.003731 0.40187 3.50877
50 1NVM NAD 0.000009926 0.41692 3.52564
51 3KB6 NAD 0.000004626 0.41147 3.59281
52 5VN0 NAI 0.0006062 0.46057 3.63636
53 5VN0 FAD 0.0004484 0.43507 3.63636
54 1M2W NAD 0.002117 0.44665 3.65112
55 2HJR APR 0.000002553 0.40166 3.65854
56 1E3I CXF 0.000000435 0.55169 3.7234
57 2DFV NAD 0.0000004501 0.43612 3.7464
58 3JV7 NAD 0.00001603 0.40515 3.76812
59 1E3W NAD 0.003099 0.42258 3.83142
60 3ABI NAD 0.0000003902 0.44323 3.83562
61 1E6W NAD 0.004931 0.41439 3.84615
62 5TUF FAD 0.0006994 0.44315 3.91198
63 1U8X NAD 0.001436 0.44467 4.02542
64 3WLE NAD 0.000002342 0.4456 4.10557
65 5DOZ NDP 0.001613 0.42641 4.14201
66 4GKV NAD 0.0000004672 0.45838 4.16667
67 1RPN NDP 0.008422 0.40063 4.1791
68 4RQU NAD 0.000000657 0.43683 4.26667
69 3TWO NDP 0.00001996 0.41861 4.31034
70 2RAB NAD 0.001132 0.40764 4.31965
71 4DMG SAM 0.02487 0.42177 4.3257
72 3LU1 NAD 0.005148 0.41363 4.3956
73 5T9F NAP 0.00004278 0.41278 4.42804
74 5T9F TYR 0.0000507 0.41223 4.42804
75 2ZXI FAD 0.00135 0.42 4.44444
76 3CIF NAD 0.000006468 0.40905 4.45682
77 3CIF G3H 0.00007665 0.40062 4.45682
78 1CER NAD 0.000007242 0.54221 4.53172
79 1MV8 NAD 0.000002335 0.41076 4.58716
80 1MUU NAD 0.000002647 0.40971 4.58716
81 1LLU NAD 0.000002506 0.43832 4.67836
82 5U5G NAP 0.000007491 0.40815 4.74576
83 1KEV NDP 0.000005126 0.43195 4.8433
84 1QMG APX 0.002299 0.44505 4.84848
85 2B4R NAD 0.000021 0.40446 4.92754
86 2G5C NAD 0.000009733 0.4058 4.98221
87 1P0F NAP 0.000001763 0.43633 5.09383
88 5BVA FAD 0.0002896 0.40526 5.13447
89 4PLT OXM 0.00005252 0.4326 5.13595
90 4PLT NAI 0.00003815 0.43106 5.13595
91 4OOE NDP 0.001866 0.43983 5.19802
92 1VL8 NAP 0.002631 0.41817 5.24345
93 4J4H NAI 0.000003796 0.46445 5.40541
94 4J4H 1J1 0.000003796 0.46445 5.40541
95 4JK3 NAD 0.0000001875 0.43944 5.40541
96 3GFB NAD 0.000000422 0.58929 5.42857
97 3VPH OXM 0.000003217 0.43631 5.48387
98 3VPH NAD 0.000004932 0.42508 5.48387
99 1DIG NAP 0.00004495 0.40107 5.55556
100 1DIG L37 0.00005583 0.40107 5.55556
101 2AHR NAP 0.003067 0.4203 5.79151
102 3VYW SAM 0.004417 0.43858 5.84416
103 3WMX NAD 0.003499 0.42822 5.86592
104 4XQC NAD 0.00003224 0.43124 5.89474
105 4XQC 13D 0.00008899 0.42008 5.89474
106 5H81 NAP 0.00001218 0.55175 5.9126
107 4XB2 HSE 0.00004036 0.4005 5.97015
108 2NAD NAD 0.0000293 0.41111 6.10687
109 4XYB NDP 0.00004365 0.4838 6.13811
110 1XHC FAD 0.00005358 0.40745 6.26703
111 1J0X NAD 0.00007497 0.41855 6.3253
112 1Y8Q ATP 0.0004221 0.47424 6.35838
113 1C1X NAD 0.000007535 0.40267 6.76056
114 5TS5 FAD 0.001224 0.41302 6.81818
115 1LDN NAD 0.000002135 0.42862 7.27848
116 3QIN P1Y 0.03639 0.42154 7.33333
117 5DN9 NAD 0.00001129 0.4164 7.41758
118 1EZ4 NAD 0.000003167 0.41246 7.54717
119 4GV8 DUP 0.04445 0.40228 7.69231
120 2NPX FAD 0.002548 0.40991 8.05369
121 4DPL NAP 0.003058 0.42281 8.07799
122 1UWK NAD 0.0002733 0.40732 8.08081
123 1UWK URO 0.0002733 0.40732 8.08081
124 1PL6 572 0.0000001296 0.46382 8.14607
125 1PL6 NAD 0.00000005117 0.42733 8.14607
126 3RC1 TLO 0.003287 0.41219 8.28571
127 3RC1 NAP 0.003046 0.40707 8.28571
128 2O4C NAD 0.0000227 0.40644 8.42105
129 1F06 NDP 0.00002667 0.40246 8.4375
130 3EGV SAH 0.03757 0.40311 8.66142
131 4OBW SAM 0.02784 0.40672 8.94942
132 4XXH T6P 0.02033 0.41048 9.01961
133 5N53 8NB 0.005454 0.47201 9.23077
134 3OFK SAH 0.00757 0.42475 9.25926
135 5JE8 NAD 0.000001431 0.57728 9.60265
136 2VYN NAD 0.000006373 0.40672 9.88024
137 4RL4 PPV 0.02578 0.43433 9.90566
138 3GGO ENO 0.00001145 0.43778 11.1465
139 3GGO NAI 0.00001145 0.43778 11.1465
140 5KKA 6V0 0.00001113 0.41435 11.5385
141 4QTU SAM 0.02117 0.40965 11.5385
142 1YKF NAP 0.000002666 0.42696 11.6477
143 4K28 NAD 0.0000001018 0.62683 12.2677
144 1J49 NAD 0.00001227 0.40184 12.3123
145 1X7D ORN 0.000008399 0.43292 12.5714
146 1X7D NAD 0.000005518 0.41081 12.5714
147 1HYH NAD 0.000002625 0.42763 12.6214
148 4YCA NDP 0.00002707 0.5179 12.9252
149 3GDH SAH 0.02085 0.40211 13.6929
150 4E5N NAD 0.000003018 0.42345 14.2424
151 3SJU NDP 0.004238 0.41468 14.3369
152 1CDO NAD 0.0000004578 0.43246 15.7754
153 2JAP NDP 0.005102 0.41146 16.5992
154 2CDC XYP 0.0003513 0.42324 17.4863
155 2CDC XYS 0.000374 0.42237 17.4863
156 2CDC NAP 0.000374 0.42237 17.4863
157 2VHW NAI 0.000000657 0.45911 18.0371
158 2HK9 NAP 0.000001735 0.41411 18.5455
159 1NPD NAD 0.00002169 0.53082 22.5694
Pocket No.: 2; Query (leader) PDB : 2ZJ1; Ligand: ARJ; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ZJ1; Ligand: NAD; Similar sites found: 172
This union binding pocket(no: 3) in the query (biounit: 2zj1.bio1) has 51 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WQQ NDP 0.0001711 0.40711 1.02459
2 3WQQ IB3 0.0001711 0.40711 1.02459
3 4KP7 NAP 0.000431 0.40567 1.17096
4 4KP7 1UQ 0.0003504 0.40199 1.17096
5 1OMO NAD 0.0000008138 0.41418 1.5528
6 5AOA PPI 0.03389 0.40197 1.74825
7 2A92 NAI 0.00003104 0.40718 1.86916
8 1XDS SAM 0.01808 0.42547 1.87166
9 2IVD FAD 0.001993 0.41598 1.88285
10 1GUZ NAD 0.000003313 0.42094 1.93548
11 1YJQ NAP 0.00003984 0.40243 1.9802
12 2I3G NAP 0.0007054 0.44577 1.98864
13 1PZG A3D 0.00001562 0.42745 2.1148
14 2JHF NAD 0.0000772 0.47571 2.13904
15 1U3U BNF 0.000001243 0.47018 2.13904
16 1U3U NAD 0.000001243 0.47018 2.13904
17 5JCM ISD 0.001647 0.40374 2.21729
18 5JCM NAD 0.001563 0.40313 2.21729
19 5JCM FAD 0.001563 0.40313 2.21729
20 1GQ2 NAP 0.000007518 0.40941 2.22222
21 1GET FAD 0.001186 0.40699 2.22222
22 5BUK FAD 0.0003304 0.40077 2.22222
23 3O9Z AKG 0.0006042 0.41734 2.24359
24 3O9Z NAD 0.0006635 0.414 2.24359
25 5U8U FAD 0.001858 0.40002 2.2869
26 1GEG NAD 0.004274 0.41691 2.34375
27 1D1T NAD 0.0000003058 0.45484 2.41287
28 2FZW NAD 0.000006282 0.45221 2.41287
29 4CMI NAP 0.003601 0.42243 2.43056
30 3JQG NAP 0.004411 0.42133 2.43056
31 5JCJ NAP 0.004213 0.41962 2.43056
32 4CM4 NAP 0.004744 0.4175 2.43056
33 5AYV KPL 0.00006547 0.40367 2.589
34 4OPC PGT 0.00474 0.40426 2.64901
35 4OPC FDA 0.004737 0.40116 2.64901
36 4L8V NAP 0.00002098 0.4031 2.67062
37 3L4S 3PG 0.00003795 0.40307 2.67857
38 1Z82 NDP 0.0001005 0.48998 2.68657
39 4ZVV NAD 0.00002016 0.43041 2.71084
40 4ZVV GN0 0.00002016 0.43041 2.71084
41 3A28 NAD 0.01005 0.40183 2.71318
42 5EVY FAD 0.008208 0.42031 2.73973
43 3OA2 NAD 0.0001429 0.4801 2.83019
44 2CH5 NAG 0.01143 0.43952 2.88184
45 2BKX F6R 0.04137 0.40688 2.89256
46 3HAD NAD 0.0006175 0.40185 2.92208
47 2IU8 UD1 0.04033 0.40157 2.94118
48 1Q1R FAD 0.001349 0.42001 3.01624
49 5AWQ GLC GLC 0.00923 0.43962 3.0303
50 1YKJ FAD 0.001654 0.40024 3.04569
51 1YKJ PHB 0.001654 0.40024 3.04569
52 3W25 XYP XYP 0.03283 0.41888 3.27381
53 2DT5 NAD 0.000004699 0.54108 3.31754
54 5UAV TFB 0.00001982 0.4192 3.41615
55 5UAV NDP 0.00001982 0.4192 3.41615
56 2EV9 SKM 0.000001368 0.43771 3.42205
57 2EV9 NAP 0.000001368 0.43771 3.42205
58 3QJ4 FAD 0.004147 0.40021 3.50877
59 1NVM NAD 0.00001203 0.41669 3.52564
60 3KB6 NAD 0.000005639 0.41051 3.59281
61 5VN0 NAI 0.0006144 0.46033 3.63636
62 5VN0 FAD 0.0004709 0.4343 3.63636
63 1M2W NAD 0.002059 0.44719 3.65112
64 2HJR APR 0.00000237 0.40237 3.65854
65 1E3I CXF 0.0000004778 0.55018 3.7234
66 2DFV NAD 0.0000004597 0.43728 3.7464
67 3JV7 NAD 0.00001748 0.40422 3.76812
68 1E3W NAD 0.002994 0.42318 3.83142
69 3ABI NAD 0.000000446 0.44196 3.83562
70 1E6W NAD 0.004975 0.41424 3.84615
71 5TUF FAD 0.0005721 0.44657 3.91198
72 1U8X NAD 0.001357 0.4457 4.02542
73 3WLE NAD 0.00000254 0.4446 4.10557
74 5DOZ NDP 0.001837 0.42421 4.14201
75 4GKV NAD 0.0000005077 0.45758 4.16667
76 1RPN NDP 0.008721 0.40003 4.1791
77 4RQU NAD 0.0000005699 0.438 4.26667
78 3TWO NDP 0.00002331 0.41545 4.31034
79 2RAB NAD 0.000409 0.42187 4.31965
80 4DMG SAM 0.0342 0.41445 4.3257
81 4EMI NAD 0.001175 0.40349 4.39024
82 3LU1 NAD 0.005403 0.41278 4.3956
83 5T9F TYR 0.00005001 0.41295 4.42804
84 5T9F NAP 0.00004252 0.41294 4.42804
85 2ZXI FAD 0.001096 0.42332 4.44444
86 3CIF NAD 0.000005992 0.41111 4.45682
87 3CIF G3H 0.00006223 0.40318 4.45682
88 1CER NAD 0.000006336 0.54468 4.53172
89 1MV8 NAD 0.000003312 0.40754 4.58716
90 1MUU NAD 0.000003709 0.40685 4.58716
91 4EDF UPG 0.0004167 0.40553 4.65587
92 1LLU NAD 0.00000303 0.43642 4.67836
93 5U5G NAP 0.000009583 0.40625 4.74576
94 1KEV NDP 0.000005603 0.43139 4.8433
95 1QMG APX 0.00182 0.44958 4.84848
96 2B4R NAD 0.00001993 0.40495 4.92754
97 2G5C NAD 0.000008779 0.40645 4.98221
98 3CGD COA 0.002713 0.40158 5
99 3CGD NAD 0.002713 0.40158 5
100 3CGD FAD 0.002713 0.40158 5
101 1P0F NAP 0.000002337 0.43382 5.09383
102 5BVA FAD 0.000228 0.40743 5.13447
103 4PLT OXM 0.00006232 0.43041 5.13595
104 4PLT NAI 0.00004033 0.43039 5.13595
105 4OOE NDP 0.002296 0.436 5.19802
106 1VL8 NAP 0.002238 0.4209 5.24345
107 4J4H NAI 0.000003434 0.46637 5.40541
108 4J4H 1J1 0.000003434 0.46637 5.40541
109 4JK3 NAD 0.0000002261 0.43809 5.40541
110 3GFB NAD 0.0000004461 0.58828 5.42857
111 3VPH OXM 0.000003749 0.43483 5.48387
112 3VPH NAD 0.000005532 0.42382 5.48387
113 1DIG L37 0.0000513 0.40341 5.55556
114 1DIG NAP 0.00004135 0.40339 5.55556
115 2AHR NAP 0.003194 0.41959 5.79151
116 3VYW SAM 0.006007 0.43239 5.84416
117 3WMX NAD 0.00316 0.43011 5.86592
118 4XQC NAD 0.00003639 0.4296 5.89474
119 4XQC 13D 0.00008839 0.42041 5.89474
120 5H81 NAP 0.00001322 0.55013 5.9126
121 2NAD NAD 0.00003728 0.40959 6.10687
122 4XYB NDP 0.00005005 0.48154 6.13811
123 1XHC FAD 0.00005281 0.40791 6.26703
124 1J0X NAD 0.00006441 0.42069 6.3253
125 1Y8Q ATP 0.0004925 0.47129 6.35838
126 1C1X NAD 0.000008581 0.40179 6.76056
127 5TS5 FAD 0.001155 0.41389 6.81818
128 1LDN NAD 0.000001934 0.43 7.27848
129 5DN9 NAD 0.00001438 0.41411 7.41758
130 1EZ4 NAD 0.000002936 0.41287 7.54717
131 4GV8 DUP 0.03539 0.40732 7.69231
132 2NPX FAD 0.002775 0.40855 8.05369
133 4DPL NAP 0.003517 0.42035 8.07799
134 1UWK NAD 0.000261 0.40793 8.08081
135 1UWK URO 0.000261 0.40793 8.08081
136 1PL6 572 0.0000001399 0.463 8.14607
137 1PL6 NAD 0.00000005828 0.42652 8.14607
138 3RC1 TLO 0.003411 0.41158 8.28571
139 3RC1 NAP 0.003099 0.4068 8.28571
140 3QV1 NAD 0.000006335 0.40024 8.30861
141 2O4C NAD 0.00002547 0.40559 8.42105
142 1F06 2NP 0.00007432 0.40016 8.4375
143 1F06 NDP 0.00007432 0.40016 8.4375
144 3EGV SAH 0.03115 0.40717 8.66142
145 4OBW SAM 0.02514 0.40887 8.94942
146 4XXH T6P 0.02045 0.41036 9.01961
147 5N53 8NB 0.007763 0.4631 9.23077
148 3OFK SAH 0.007392 0.42522 9.25926
149 5JE8 NAD 0.000002022 0.5708 9.60265
150 2VYN NAD 0.000005666 0.40864 9.88024
151 4RL4 PPV 0.03155 0.43052 9.90566
152 3GGO NAI 0.0000103 0.43913 11.1465
153 3GGO ENO 0.0000103 0.43913 11.1465
154 5KKA 6V0 0.00001378 0.41273 11.5385
155 4QTU SAM 0.01869 0.41222 11.5385
156 1YKF NAP 0.000003124 0.42551 11.6477
157 4K28 NAD 0.0000001185 0.62398 12.2677
158 1J49 NAD 0.00001375 0.40091 12.3123
159 1X7D ORN 0.000009854 0.43099 12.5714
160 1X7D NAD 0.000006388 0.40924 12.5714
161 1HYH NAD 0.000002229 0.42886 12.6214
162 4YCA NDP 0.0000342 0.51359 12.9252
163 4E5N NAD 0.000004151 0.4205 14.2424
164 3SJU NDP 0.004382 0.4141 14.3369
165 1CDO NAD 0.0000004609 0.43199 15.7754
166 2JAP NDP 0.005148 0.41131 16.5992
167 2CDC NAP 0.000302 0.42535 17.4863
168 2CDC XYS 0.000302 0.42535 17.4863
169 2CDC XYP 0.0003157 0.42473 17.4863
170 2VHW NAI 0.0000007646 0.45754 18.0371
171 2HK9 NAP 0.000002381 0.41146 18.5455
172 1NPD NAD 0.00002275 0.52991 22.5694
Pocket No.: 4; Query (leader) PDB : 2ZJ1; Ligand: ARJ; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2ZJ1; Ligand: NAD; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2ZJ1; Ligand: NAD; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2ZJ1; Ligand: NAD; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2ZJ1; Ligand: ARJ; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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