Receptor
PDB id Resolution Class Description Source Keywords
2NAD 2.05 Å EC: 1.2.1.2 HIGH RESOLUTION STRUCTURES OF HOLO AND APO FORMATE DEHYDROGE PSEUDOMONAS SP. OXIDOREDUCTASE(ALDEHYDE(D)NAD+(A))
Ref.: HIGH RESOLUTION STRUCTURES OF HOLO AND APO FORMATE DEHYDROGENASE. J.MOL.BIOL. V. 236 759 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZI A:395;
B:395;
Invalid;
Invalid;
none;
none;
submit data
42.02 N3 [N-]=...
NAD A:394;
B:394;
Valid;
Valid;
none;
none;
Ki = 0.1 uM
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 A:396;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NAD 2.05 Å EC: 1.2.1.2 HIGH RESOLUTION STRUCTURES OF HOLO AND APO FORMATE DEHYDROGE PSEUDOMONAS SP. OXIDOREDUCTASE(ALDEHYDE(D)NAD+(A))
Ref.: HIGH RESOLUTION STRUCTURES OF HOLO AND APO FORMATE DEHYDROGENASE. J.MOL.BIOL. V. 236 759 1994
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2NAD Ki = 0.1 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XYE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4XYB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 2GSD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 2NAD Ki = 0.1 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XYE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4XYB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 5DN9 Kd = 92 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 2GSD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 2NAD Ki = 0.1 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 2NAD; Ligand: NAD; Similar sites found: 467
This union binding pocket(no: 1) in the query (biounit: 2nad.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VHW NAI 0.000001495 0.51605 1.06101
2 1U3U NAD 0.0002162 0.41227 1.06952
3 1U3U BNF 0.0002162 0.41227 1.06952
4 2C29 NAP 0.003215 0.40981 1.18694
5 1E5Q NDP 0.0002844 0.45104 1.27226
6 3G5S FAD 0.0009221 0.40739 1.27226
7 1U1I NAD 0.000149 0.44615 1.27551
8 2Q0L NAP 0.002138 0.45359 1.28617
9 1CER NAD 0.00003116 0.49663 1.51057
10 1VKO NAD 0.00003529 0.47553 1.52672
11 3ULK NDP 0.0005077 0.46188 1.52672
12 4A0S NAP 0.001186 0.42125 1.52672
13 2GVC FAD 0.001341 0.41411 1.52672
14 4TXI FAD 0.001743 0.41238 1.52672
15 3V1U NAD 0.004779 0.41085 1.52672
16 1VQW FAD 0.001807 0.40935 1.52672
17 2GV8 FAD 0.00197 0.40561 1.52672
18 1E3I CXF 0.0002541 0.43095 1.59574
19 2GZ3 NAP 0.0005344 0.4261 1.63934
20 1YJQ NAP 0.0001927 0.44503 1.65016
21 2BKA NDP 0.004886 0.40269 1.65289
22 5LD5 NAD 0.00004472 0.5031 1.67598
23 2IZ1 ATR 0.0004504 0.51507 1.78117
24 1V8B NAD 0.000004047 0.4935 1.78117
25 4J36 FAD 0.0005138 0.4294 1.78117
26 1UA4 BGC 0.01426 0.42921 1.78117
27 1UA4 GLC 0.01426 0.42921 1.78117
28 4HXY NDP 0.0009856 0.4243 1.78117
29 5M67 NAD 0.0000196 0.42257 1.78117
30 5M67 ADE 0.00002081 0.4214 1.78117
31 5M67 3D1 0.00002647 0.41938 1.78117
32 1RM0 NAI 0.00005922 0.41822 1.78117
33 1RM0 D6P 0.00006114 0.40885 1.78117
34 3NGL NAP 0.001258 0.44839 1.81159
35 3OFK SAH 0.02124 0.40242 1.85185
36 1CDO NAD 0.0004814 0.44853 1.87166
37 2EV9 SKM 0.0009965 0.42144 1.90114
38 2EV9 NAP 0.0009965 0.42144 1.90114
39 4O1M NAD 0.00488 0.40029 1.90476
40 1GR0 NAD 0.00002887 0.4719 1.90736
41 5KKA 6V0 0.00003301 0.4766 1.92308
42 3LU1 NAD 0.00129 0.42256 1.92308
43 1X7D NAD 0.0001516 0.46173 2
44 1X7D ORN 0.0003764 0.42085 2
45 4JJF FE9 0.0007484 0.43763 2.03488
46 4JJF N2I 0.001076 0.42559 2.03488
47 2IXB NAD 0.00002538 0.48449 2.03562
48 1X87 NAD 0.0001519 0.48046 2.03562
49 3GD4 NAD 0.0005956 0.45514 2.03562
50 2IXB A2G 0.0000715 0.44039 2.03562
51 3S5W NAP 0.004615 0.43754 2.03562
52 3S5W FAD 0.001013 0.42385 2.03562
53 3O8M GLC 0.01655 0.4217 2.03562
54 3O8M BGC 0.01655 0.4217 2.03562
55 3SSO SAH 0.0066 0.41647 2.03562
56 1SQF SAM 0.01028 0.41405 2.03562
57 2RGJ FAD 0.001546 0.41183 2.03562
58 1CZA GLC 0.03531 0.40829 2.03562
59 4MP8 NAD 0.00005951 0.44803 2.0649
60 4GKV NAD 0.00003784 0.46765 2.08333
61 4B7X NAP 0.00004901 0.46685 2.08333
62 1L7E NAI 0.003641 0.41859 2.08333
63 1D1T NAD 0.00007956 0.46236 2.14477
64 1TB4 PEJ 0.001556 0.41943 2.15633
65 1T26 NAI 0.000006491 0.45881 2.17391
66 5TUF FAD 0.003621 0.40053 2.20049
67 4K28 NAD 0.00001176 0.51827 2.23048
68 1FWV SGA MAG FUC 0.002766 0.47798 2.23881
69 2YY7 NAD 0.0002165 0.44923 2.24359
70 4D3F NAP 0.000009391 0.53716 2.25806
71 1H5Q NAP 0.004271 0.40253 2.26415
72 1I36 NAP 0.00007163 0.41163 2.27273
73 3ABI NAD 0.000007483 0.50864 2.29008
74 1DJN ADP 0.00005999 0.49766 2.29008
75 1WDK NAD 0.00009134 0.48987 2.29008
76 1LVL NAD 0.001299 0.44776 2.29008
77 4U7W NDP 0.002407 0.41744 2.29008
78 4IDC 1XX 0.0007802 0.41246 2.29008
79 4IDC NDP 0.0007802 0.41246 2.29008
80 1P31 EPU 0.01132 0.41211 2.29008
81 2B4R NAD 0.0001318 0.45739 2.31884
82 2B4R AES 0.0003957 0.44232 2.31884
83 3KLJ FAD 0.0003256 0.43667 2.33766
84 3ICC NAP 0.002244 0.40829 2.35294
85 2Q46 NAP 0.001286 0.4254 2.37154
86 3SJ7 NDP 0.002207 0.41621 2.38095
87 4PLG NAI 0.000008165 0.47784 2.39521
88 4RQU NAD 0.00008914 0.47075 2.4
89 1HDG NAD 0.0001168 0.47723 2.40964
90 4JBI NDP 0.002722 0.42093 2.43243
91 1NVT NAP 0.0003488 0.46129 2.43902
92 2JL1 NAP 0.006746 0.41303 2.43902
93 5GZ6 NDP 0.0002541 0.47913 2.45399
94 5GZ6 7C3 0.0004092 0.46209 2.45399
95 2PK3 A2R 0.001555 0.448 2.49221
96 3CIF NAD 0.00008109 0.43202 2.50696
97 3CIF G3H 0.0008278 0.41673 2.50696
98 1K3T BRZ 0.001447 0.41289 2.50696
99 1WVG APR 0.008669 0.40017 2.50696
100 1EBF NAD 0.000002148 0.4652 2.51397
101 5VN0 NAI 0.0009117 0.4373 2.54453
102 5VN0 FAD 0.001254 0.40288 2.54453
103 3GGO ENO 0.000304 0.40946 2.54777
104 3GGO NAI 0.000304 0.40946 2.54777
105 1GUZ NAD 0.0000152 0.45775 2.58065
106 1HYH NAD 0.000004727 0.51213 2.589
107 5AYV NAP 0.00001454 0.43509 2.589
108 5AYV KPL 0.0003246 0.4312 2.589
109 1LLU NAD 0.00002477 0.47431 2.63158
110 1O6Z NAD 0.00001391 0.51991 2.64026
111 5DOZ NDP 0.001973 0.40795 2.66272
112 3V1Y NAD 0.00005182 0.48769 2.67062
113 1I0Z NAI 0.000006233 0.5117 2.7027
114 1DSS NAD 0.00007228 0.48581 2.7027
115 1LDM NAD 0.000005195 0.51474 2.73556
116 1WP4 NDP 0.00002181 0.49871 2.76817
117 2CVZ NDP 0.0001246 0.47227 2.76817
118 2XZ9 PYR 0.03865 0.40984 2.77778
119 1H2B NAJ 0.00003417 0.4726 2.78552
120 3OJO NAD 0.00001435 0.52414 2.79898
121 2NVK NAP 0.003282 0.46817 2.79898
122 1ZMD NAI 0.0002145 0.46637 2.79898
123 1V59 NAD 0.002384 0.46018 2.79898
124 4XQC NAD 0.00002118 0.43824 2.79898
125 4XQC 13D 0.00002454 0.43281 2.79898
126 1OBB NAD 0.002225 0.42757 2.79898
127 3SQP FAD 0.04011 0.40414 2.79898
128 2G5C NAD 0.0001101 0.4637 2.84698
129 1KEV NDP 0.00004551 0.46476 2.849
130 3KO8 NAD 0.00175 0.41232 2.88462
131 3H9E NAD 0.0001931 0.46458 2.89017
132 3WXL ADP 0.02712 0.41804 2.89575
133 1GV0 NAD 0.00001575 0.49621 2.90323
134 5AX9 4KT 0.008619 0.42095 2.92208
135 5T9E NAP 0.00006567 0.48353 2.95203
136 5T9F NAP 0.00009665 0.44523 2.95203
137 5T9F TYR 0.0000863 0.44226 2.95203
138 5JE8 NAD 0.000003637 0.53924 2.98013
139 1Z82 NDP 0.00115 0.43021 2.98507
140 1XHC FAD 0.001211 0.40702 2.99728
141 4KOA NDP 0.00727 0.42444 3.003
142 2CDU ADP 0.00004841 0.52672 3.05344
143 1U8X NAD 0.004268 0.41015 3.05344
144 2JK0 ASP 0.04484 0.40574 3.07692
145 1LTH NAD 0.00000534 0.53732 3.1348
146 4TSK NDP 0.0006456 0.44337 3.14286
147 4FN4 NAD 0.00413 0.40309 3.14961
148 1RP0 AHZ 0.0007618 0.40831 3.16901
149 1ORR NAD 0.002629 0.40336 3.17003
150 3ORF NAD 0.0003502 0.4475 3.18725
151 2YYY NAP 0.0006471 0.43707 3.207
152 2EWM NAD 0.003114 0.40536 3.21285
153 4QED NAP 0.003986 0.40368 3.22581
154 5BSH PRO 0.0008518 0.42398 3.2491
155 3WBF NAP 0.00003068 0.48888 3.27869
156 3WBF API 0.00009874 0.45569 3.27869
157 2BD0 NAP 0.001739 0.41242 3.27869
158 1JAY NAP 0.0002053 0.47896 3.30189
159 2BH9 NAP 0.0007185 0.47631 3.30789
160 4QS9 BGC 0.0177 0.42425 3.30789
161 1QMG APX 0.003838 0.42061 3.30789
162 4EIP K2C 0.002973 0.40821 3.30789
163 4EIP FAD 0.00299 0.40629 3.30789
164 9LDB NAD 0.000003476 0.51718 3.31325
165 9LDT NAD 0.000004226 0.51397 3.31325
166 5VKT NAP 0.000976 0.42723 3.31492
167 2DT5 NAD 0.000002975 0.52851 3.31754
168 1VI2 NAD 0.001891 0.43707 3.33333
169 1GAD NAD 0.0002005 0.41158 3.33333
170 3Q3C NAD 0.00009175 0.48559 3.34448
171 2WIC GNP 0.03506 0.40132 3.37079
172 2A92 NAI 0.00001358 0.49099 3.42679
173 1F06 NDP 0.0008477 0.41885 3.4375
174 1F06 2NP 0.0008477 0.41885 3.4375
175 3A06 NDP 0.000565 0.42522 3.45745
176 3A06 FOM 0.0007913 0.4138 3.45745
177 1NPD NAD 0.002602 0.42471 3.47222
178 3H4V NAP 0.002392 0.41224 3.47222
179 1F8F NAD 0.000271 0.46219 3.50404
180 1P1C SAH 0.002935 0.42558 3.51759
181 2WSB NAD 0.00326 0.40099 3.54331
182 1Z6Z NAP 0.002445 0.41187 3.5461
183 4XDY NAI 0.0008067 0.43945 3.5503
184 1YQD NAP 0.0003944 0.43362 3.55191
185 2QRK AMP 0.00009014 0.4382 3.56234
186 4K5S FAD 0.0009156 0.42019 3.56234
187 3WMX NAD 0.000609 0.44439 3.63128
188 2D2I NAP 0.0003058 0.46368 3.68421
189 1SQK LAR 0.01881 0.41883 3.71353
190 5D4V SAH 0.0008224 0.45278 3.73134
191 1O94 ADP 0.00008521 0.48693 3.75
192 3OA2 NAD 0.0001439 0.46261 3.77358
193 3B1F NAD 0.00001288 0.5312 3.7931
194 4OOE NDP 0.001832 0.42504 3.81679
195 1JJ7 ADP 0.01725 0.43601 3.84615
196 4XB2 HSE 0.00001948 0.46377 3.8806
197 4XB2 NDP 0.00000203 0.46055 3.8806
198 1EJ0 SAM 0.007105 0.42146 3.88889
199 1XG5 NAP 0.001037 0.42345 3.94265
200 1B8U NAD 0.0002018 0.48357 3.95137
201 1B8U OAA 0.001435 0.41553 3.95137
202 1SOW NAD 0.000005765 0.50485 3.96341
203 1BDB NAD 0.0008217 0.42191 3.97112
204 2CVQ NDP 0.00007025 0.4748 3.97554
205 1KOL NAD 0.00005483 0.45408 4.0201
206 1P0F NAP 0.0001498 0.45212 4.02145
207 4W6Z 8ID 0.000113 0.4489 4.03458
208 2JAH NDP 0.001729 0.41505 4.04858
209 2JAP NDP 0.001998 0.41267 4.04858
210 1NYT NAP 0.0008164 0.44247 4.05904
211 1GQ2 NAP 0.00004298 0.48315 4.07125
212 5MSO NAP 0.002296 0.42107 4.07125
213 1Z45 NAD 0.001973 0.41545 4.07125
214 1GY8 NAD 0.001767 0.41469 4.07125
215 4D7E FAD 0.001311 0.4061 4.07125
216 2ZFI ADP 0.04059 0.40145 4.09836
217 3B20 NAD 0.000153 0.47628 4.12979
218 1U7T NAD 0.004282 0.40748 4.21456
219 1E3W NAD 0.004632 0.40117 4.21456
220 4PLT OXM 0.000021 0.40911 4.22961
221 4PLT NAI 0.00002242 0.40329 4.22961
222 1E6W NAD 0.004853 0.40039 4.23077
223 4RL4 PPV 0.03922 0.40363 4.24528
224 1DIG L37 0.001906 0.40849 4.24837
225 1DIG NAP 0.002478 0.40668 4.24837
226 2OKL BB2 0.009989 0.41793 4.32432
227 1LJ8 NAD 0.001679 0.43931 4.3257
228 1M2W NAD 0.003395 0.42288 4.3257
229 1EZ4 NAD 0.00001254 0.51262 4.40252
230 3A4V PYR 0.001011 0.41084 4.4164
231 3A4V NAD 0.001011 0.41084 4.4164
232 5CAE COA 0.00006489 0.49189 4.47284
233 5CAE SIN 0.000372 0.43455 4.47284
234 1BW9 NAD 0.00000248 0.56227 4.49438
235 1BXG NAD 0.000001295 0.5525 4.49438
236 1IY8 NAD 0.002822 0.40698 4.49438
237 1C1X NAD 0.000001235 0.55334 4.50704
238 4RVU NDP 0.001027 0.41584 4.51807
239 1YS4 NAP 0.0003884 0.46694 4.51977
240 1ZQ9 SAM 0.00261 0.44153 4.5614
241 3OND NAD 0.00001007 0.43405 4.58015
242 3OND ADN 0.00001007 0.43405 4.58015
243 3TN7 NJP 0.0009224 0.42539 4.58015
244 2YVF NAD 0.007535 0.40293 4.58015
245 2YVF FAD 0.007475 0.40239 4.58015
246 1R37 NAD 0.0002341 0.43347 4.61095
247 3U4C NDP 0.004943 0.40249 4.62633
248 2VT3 ATP 0.000001589 0.40671 4.65116
249 1J5P NAD 0.000002126 0.53893 4.74308
250 4L8V NAP 0.00008237 0.43448 4.74777
251 4R1S NAP 0.007401 0.40046 4.74777
252 2X6T NAP 0.0013 0.42243 4.7619
253 1PL6 NAD 0.00002183 0.52631 4.77528
254 1PL6 572 0.0002856 0.44167 4.77528
255 1G8S MET 0.03299 0.41415 4.78261
256 4ZRN NAD 0.00281 0.40003 4.80769
257 3ICT ADP 0.00003942 0.54947 4.83461
258 3ICS ADP 0.00004364 0.54726 4.83461
259 1MV8 NAD 0.0000245 0.50085 4.83461
260 1MUU NAD 0.00004448 0.49449 4.83461
261 2Y6Q FAD 0.0008228 0.42454 4.83461
262 2WPF FAD 0.007302 0.41831 4.83461
263 2WPF WPF 0.008173 0.41766 4.83461
264 1RM4 NDP 0.0001852 0.41594 4.83461
265 1NV8 MEQ 0.006176 0.40113 4.92958
266 2PT9 S4M 0.00606 0.40659 4.98442
267 1ZH8 NAP 0.0001033 0.42345 5
268 1FK8 NAD 0.006115 0.40643 5.05837
269 4DCM SAM 0.01228 0.41707 5.06667
270 5MQ6 NDP 0.00012 0.48482 5.08906
271 3L9W AMP 0.0008952 0.42588 5.08906
272 4DMG SAM 0.01267 0.42372 5.08906
273 3L9W GSH 0.001457 0.42328 5.08906
274 1FEC FAD 0.001495 0.41931 5.08906
275 1Q19 SSC 0.04733 0.40256 5.08906
276 1YKF NAP 0.00008513 0.468 5.11364
277 1DRV A3D 0.00009531 0.49344 5.12821
278 1WPQ NAD 0.0008877 0.44775 5.15759
279 4XZ3 COA 0.003407 0.42281 5.21739
280 3RFV NAI 0.0005385 0.44332 5.24345
281 3RFV 15L 0.001375 0.43008 5.24345
282 5DP2 NAP 0.005481 0.4032 5.26316
283 1O0S NAI 0.0001059 0.48713 5.34351
284 3IHG FAD 0.003646 0.40518 5.34351
285 5KVA SAM 0.008979 0.40762 5.39568
286 1V6A TRE 0.0002427 0.53283 5.42169
287 5O4J PJL 0.002113 0.40685 5.47445
288 5O4J SAH 0.0026 0.40125 5.47445
289 5O4J 9KH 0.0026 0.40125 5.47445
290 1EQ2 NAP 0.001177 0.42409 5.48387
291 2YVJ NAI 0.0002654 0.48723 5.50459
292 5BXQ GDP 0.0251 0.4087 5.51181
293 2AGC DAO 0.04991 0.40022 5.55556
294 1LUA NAP 0.0005507 0.46427 5.57491
295 1A5Z NAD 0.000004552 0.55081 5.64263
296 1G0N NDP 0.002012 0.40646 5.65371
297 1G0N PHH 0.003 0.40332 5.65371
298 2VYN NAD 0.0001775 0.45906 5.68862
299 3QWB NDP 0.002057 0.41219 5.68862
300 2HJR APR 0.000003239 0.55172 5.79268
301 2BCG GER 0.02943 0.41252 5.82524
302 4DPL NAP 0.00008203 0.46862 5.84958
303 5UAV NDP 0.00001773 0.47096 5.90062
304 5UAV TFB 0.00001773 0.47096 5.90062
305 2I3G NAP 0.00001657 0.4915 5.96591
306 3QV1 NAD 0.00002257 0.50661 6.09756
307 5U5G NAP 0.000008054 0.5116 6.1017
308 2FR1 NDP 0.001102 0.41981 6.10687
309 2ZJ1 ARJ 0.0000293 0.41111 6.10687
310 2ZJ1 NAD 0.00003728 0.40959 6.10687
311 5FI3 NAP 0.0001161 0.46281 6.16247
312 2GAG NAD 0.001379 0.40171 6.19048
313 1F8G NAD 0.001537 0.44098 6.25
314 4BVA NDP 0.0005976 0.41064 6.26866
315 3QWI NAP 0.002566 0.40611 6.2963
316 3LZW FAD 0.001082 0.40194 6.3253
317 4E13 NAD 0.0001349 0.49131 6.36042
318 5E4R NAP 0.002114 0.41695 6.36132
319 1O8B ABF 0.02777 0.41386 6.39269
320 4YCA NDP 0.0001614 0.46773 6.46258
321 3H8V ATP 0.00003875 0.52568 6.50685
322 1LK7 DER 0.03192 0.4034 6.55022
323 3GFB NAD 0.000009425 0.5132 6.57143
324 1PS9 FAD 0.002636 0.40537 6.61578
325 2DFV NAD 0.00003138 0.49243 6.62824
326 2Q1S NAI 0.0005134 0.43348 6.6313
327 1JNR FAD 0.003671 0.42202 6.66667
328 4OSP NAP 0.004816 0.40294 6.84411
329 2DM6 IMN 0.0001584 0.42669 6.90691
330 2DM6 NAP 0.0006323 0.41096 6.90691
331 2HK9 ATR 0.000094 0.53704 6.90909
332 2HK9 NAP 0.0008529 0.43847 6.90909
333 2HMT NAI 0.00009546 0.49341 6.94444
334 1W73 NAP 0.004211 0.41594 6.95364
335 1W8D NAP 0.004346 0.41537 6.95364
336 2HIM ASP 0.03246 0.41208 7.26257
337 2CUL FAD 0.0005727 0.42243 7.32759
338 3UCL NAP 0.001425 0.43506 7.37913
339 3UCL CYH 0.003962 0.41574 7.37913
340 3UCL FAD 0.003962 0.41574 7.37913
341 5TUK FAD 0.005514 0.4031 7.37913
342 1OMO NAD 0.000009859 0.52617 7.45342
343 3VYW SAM 0.01504 0.40056 7.46753
344 5KVS NAP 0.006375 0.40838 7.53247
345 3NJ4 NAD 0.0000885 0.50543 7.58621
346 3NJ4 AFX 0.0001993 0.49073 7.58621
347 2AG8 NAP 0.0001145 0.49446 7.60456
348 5GT9 NAP 0.0009712 0.42454 7.60456
349 3WLE NAD 0.00008003 0.44827 7.62463
350 1BZL FAD 0.00573 0.42307 7.63359
351 2VOH CIT 0.0227 0.43547 7.64331
352 2ZAT NAP 0.002838 0.40937 7.69231
353 3TWO NDP 0.00008283 0.45232 7.75862
354 4XDZ NDP 0.00146 0.43207 7.87172
355 2B4Q NAP 0.004621 0.40121 7.97101
356 4II2 ATP 0.0005014 0.46607 7.97546
357 5X20 NAD 0.00004358 0.49485 8.01282
358 1UXG NAD 0.00001418 0.46523 8.09062
359 1Y8Q ATP 0.000654 0.44985 8.09249
360 1MO9 KPC 0.002342 0.43266 8.14249
361 3FG2 FAD 0.002545 0.40388 8.14249
362 1PZG A3D 0.00002863 0.45928 8.1571
363 1GEG NAD 0.001692 0.41802 8.20312
364 1YB5 NAP 0.0004781 0.42785 8.26211
365 1W6U NAP 0.004699 0.41394 8.27815
366 1JA9 NDP 0.00298 0.40369 8.39416
367 1RKX NAD 0.002021 0.41248 8.40336
368 3JV7 NAD 0.0001758 0.45589 8.4058
369 1P77 ATR 0.00001739 0.59078 8.45588
370 4RDH AMP 0.0001678 0.5066 8.68056
371 4RDI ATP 0.0004051 0.47878 8.68056
372 5L95 AMP 0.0001063 0.50059 8.75
373 4R5M NAP 0.002487 0.41418 8.7766
374 4R5M 4NO 0.002474 0.40915 8.7766
375 4CJX NAP 0.002555 0.42206 8.77743
376 1SAY PYR 0.00005001 0.46328 8.86427
377 5H81 NAP 0.00002219 0.52093 8.90585
378 1X14 NAD 0.0002991 0.48958 8.90585
379 1VJT NAD 0.0003964 0.4748 8.90585
380 4D79 ATP 0.00006913 0.51412 9.05797
381 4K26 NDP 0.002434 0.40941 9.05797
382 1N9G NAP 0.002002 0.42643 9.06736
383 1R6D NAD 0.005537 0.40306 9.19881
384 1R6D DAU 0.005736 0.4017 9.19881
385 3VPH NAD 0.00002676 0.4765 9.35484
386 3VPH OXM 0.00005828 0.45775 9.35484
387 1C3V NDP 0.0001007 0.46182 9.38776
388 5ITV NAI 0.002298 0.41036 9.41177
389 5JWC FAD 0.001314 0.40959 9.41476
390 1ZEM NAD 0.0005581 0.44593 9.54198
391 4UP3 NDP 0.005063 0.41846 9.55414
392 4NBT NAD 0.003584 0.40797 9.58333
393 2DKN NAI 0.00204 0.41755 9.80392
394 1LSS NAD 0.0001751 0.48629 10
395 1VBO MAN MAN MAN 0.03655 0.40702 10.0671
396 2Q1W NAD 0.001725 0.41255 10.2102
397 5N2I NAP 0.0002374 0.48044 10.3448
398 4CQM NAP 0.002249 0.41327 10.3448
399 3L4S NAD 0.0002187 0.44599 10.4167
400 3L4S 3PG 0.0002526 0.44072 10.4167
401 2ZB3 NDP 0.001468 0.42315 10.4816
402 2PV7 NAD 0.0000218 0.49872 10.7383
403 4MDH NAD 0.0002512 0.45649 10.7784
404 5MDH NAD 0.0003335 0.4516 10.8108
405 2AHR NAP 0.0009673 0.42738 10.8108
406 1A4R GNH 0.02233 0.4014 10.9948
407 3WV8 ATP 0.000008905 0.54918 11.0092
408 3AD8 NAD 0.0008233 0.4141 11.1111
409 1HYE NAP 0.0002895 0.4685 11.1821
410 4NBU NAI 0.002751 0.4074 11.2
411 1BXK NAD 0.0009104 0.43127 11.2676
412 3QJ4 FAD 0.0009243 0.4036 11.4035
413 1LDN NAD 0.000004372 0.48428 12.0253
414 2XYQ SAH 0.01156 0.4117 12.2951
415 1O5I NAD 0.005994 0.42153 12.4498
416 2DC1 NAD 0.00002535 0.49611 12.7119
417 1CF2 NAP 0.00002925 0.43908 13.0564
418 2NU8 COA 0.0001706 0.46675 13.1944
419 4CLO NAP 0.002054 0.42018 13.5417
420 3JQG NAP 0.002347 0.41787 13.5417
421 4CME NAP 0.002132 0.41681 13.5417
422 5JDC NAP 0.002147 0.41668 13.5417
423 5JCJ NAP 0.002247 0.41591 13.5417
424 5JDI NAP 0.002253 0.41586 13.5417
425 3JQA NAP 0.002676 0.4156 13.5417
426 4CMI NAP 0.002297 0.41554 13.5417
427 3BMO NAP 0.00235 0.41515 13.5417
428 4CM8 NAP 0.002368 0.41502 13.5417
429 3BMQ NAP 0.002157 0.41396 13.5417
430 4CLR NAP 0.002538 0.41384 13.5417
431 3JQB NAP 0.003015 0.41354 13.5417
432 4CM4 NAP 0.002675 0.41294 13.5417
433 3JQF NAP 0.002447 0.41185 13.5417
434 4CM9 NAP 0.002457 0.41178 13.5417
435 3JQ8 NAP 0.002978 0.40856 13.5417
436 3BMN NAP 0.00315 0.40763 13.5417
437 3JQ9 NAP 0.003401 0.40634 13.5417
438 3A28 NAD 0.002387 0.41227 13.5659
439 1NVM NAD 0.0001331 0.45723 13.913
440 2F1K NAP 0.00003411 0.49504 13.9785
441 1UJ5 5RP 0.01123 0.42636 14.5374
442 3F8D FAD 0.01 0.4025 14.5511
443 2WD7 NAP 0.002618 0.41331 14.5522
444 4JK3 NAD 0.000000397 0.57327 14.6718
445 4J4H NAI 0.0000134 0.43299 14.6718
446 4J4H 1J1 0.0000134 0.43299 14.6718
447 3RJ5 NAD 0.001026 0.40231 16.1417
448 2VUT NAD 0.01445 0.40133 16.2791
449 4O0L NDP 0.001574 0.41659 16.7273
450 1KYQ NAD 0.000004961 0.57319 17.8832
451 2OOR NAD 0.001675 0.43936 18.3908
452 3LN9 FLC 0.0317 0.41265 19.4245
453 1VM6 NAD 0.0002808 0.40492 20.1754
454 3B1J NAD 0.00003542 0.48266 24
455 2O4C NAD 0.000000001329 0.6009 27.3684
456 1SC6 NAD 0.0000001322 0.56596 30.5344
457 1DXY NAD 0.000000001397 0.67253 31.5315
458 1J49 NAD 0.00000000009705 0.70402 32.4324
459 2GCG NDP 0.000000009609 0.62595 33.0303
460 4ZGS NAD 0.00000000004901 0.60539 33.1606
461 3BAZ NAP 0.0000000001676 0.71771 33.9339
462 1HKU NAD 0.00000000004299 0.70304 37.7095
463 4E5N NAD 0.000000000000497 0.77639 38.1818
464 3KB6 NAD 0.00000000001246 0.74703 41.018
465 5OFW 9TW 0.00001414 0.60522 43.0493
466 2DBZ NAP 0.00000000009565 0.62601 45.2096
467 5N53 8NB 0.00002736 0.58527 49.2308
Pocket No.: 2; Query (leader) PDB : 2NAD; Ligand: NAD; 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: 2nad.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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