Receptor
PDB id Resolution Class Description Source Keywords
2AG5 1.84 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HUMAN DHRS6 HOMO SAPIENS PROTEIN-CO-FACTOR COMPLEX STRUCTURAL GENOMICS STRUCTURAL GCONSORTIUM SGC OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF HUMAN DHRS6, AN ORPHAN SHORT CH DEHYDROGENASE/REDUCTASE ENZYME: A NOVEL, CYTOSOLIC R-BETA-HYDROXYBUTYRATE DEHYDROGENASE J.BIOL.CHEM. V. 281 10291 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:2001;
B:1001;
C:3001;
D:4001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 A:5001;
B:5003;
C:5002;
D:5004;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
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
2AG5 1.84 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HUMAN DHRS6 HOMO SAPIENS PROTEIN-CO-FACTOR COMPLEX STRUCTURAL GENOMICS STRUCTURAL GCONSORTIUM SGC OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF HUMAN DHRS6, AN ORPHAN SHORT CH DEHYDROGENASE/REDUCTASE ENZYME: A NOVEL, CYTOSOLIC R-BETA-HYDROXYBUTYRATE DEHYDROGENASE J.BIOL.CHEM. V. 281 10291 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
6 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1GEG - GLC C6 H12 O6 C([C@@H]1[....
12 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
20 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
21 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
22 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
23 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
25 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
26 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
27 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
28 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1IPE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 1IPF - TNE C8 H13 N O CN1[C@H]2C....
32 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
36 2ZAT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
42 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
43 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
44 5ICM - GLC C6 H12 O6 C([C@@H]1[....
45 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 3LQF - MRY C4 H10 O4 C([C@H]([C....
52 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
55 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
62 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
64 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
67 1UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
68 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
69 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
71 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
72 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
75 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
76 3O03 - GCO C6 H12 O7 C([C@H]([C....
77 2DTX - BMA C6 H12 O6 C([C@@H]1[....
78 5FEU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
79 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
81 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
82 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
84 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
88 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
89 1XHL - TNE C8 H13 N O CN1[C@H]2C....
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 : 2AG5; Ligand: NAD; Similar sites found: 363
This union binding pocket(no: 1) in the query (biounit: 2ag5.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HDO NAP 0.000007983 0.47814 None
2 5T9E NAP 0.0005976 0.43781 None
3 1BW9 NAD 0.00366 0.41836 None
4 3N8K D1X 0.0155 0.41748 None
5 1C1X NAD 0.003124 0.40935 None
6 5T9F TYR 0.0003903 0.40641 None
7 1EZ4 NAD 0.003954 0.40529 None
8 5T9F NAP 0.000722 0.40197 None
9 1VBO MAN MAN MAN 0.03935 0.40032 None
10 1I0Z NAI 0.00248 0.40524 0.813008
11 2Q46 NAP 0.000000524 0.54847 1.21951
12 3G2Y GF4 0.03622 0.41444 1.21951
13 3BXO SAM 0.003919 0.43882 1.25523
14 4GLL NAD 0.0000007734 0.5411 1.62602
15 3RFV NAI 0.000002036 0.53063 1.62602
16 3RFV 15L 0.00002979 0.48938 1.62602
17 2X6T NAP 0.00002361 0.48131 1.62602
18 1EQ2 NAP 0.00002585 0.47983 1.62602
19 3W6G FLC 0.03245 0.40881 1.85185
20 4PVD NDP 0.0000004746 0.53118 2.03252
21 2JJQ SAH 0.002874 0.44531 2.03252
22 3G2O SAM 0.002461 0.43631 2.03252
23 1UDB NAD 0.000001914 0.43176 2.03252
24 1V59 NAD 0.007988 0.42786 2.03252
25 1GUZ NAD 0.001079 0.41594 2.03252
26 2VN9 GVD 0.03327 0.40823 2.03252
27 5AHO TLA 0.02707 0.40352 2.03252
28 1EJ0 SAM 0.002283 0.43779 2.22222
29 2FR1 NDP 0.00000002078 0.57992 2.43902
30 1R6D NAD 0.000002417 0.55075 2.43902
31 1R6D DAU 0.000002524 0.54884 2.43902
32 3QV1 NAD 0.002221 0.41814 2.43902
33 1J5P NAD 0.001696 0.41696 2.43902
34 5CDH TLA 0.02157 0.40717 2.43902
35 2PT9 S4M 0.004165 0.40713 2.43902
36 1QAN SAH 0.001725 0.43228 2.45902
37 1WVG APR 0.00001707 0.50336 2.84553
38 2PZM NAD 0.00003099 0.49566 2.84553
39 2PZM UDP 0.00003099 0.49566 2.84553
40 1V6A TRE 0.005114 0.45268 2.84553
41 3MB5 SAM 0.001081 0.4374 2.84553
42 1U1I NAD 0.0001503 0.43282 2.84553
43 5BW4 SAM 0.006144 0.42184 2.84553
44 5XVK SAH 0.002993 0.4189 2.84553
45 1GV0 NAD 0.00128 0.41606 2.84553
46 3B20 NAD 0.002511 0.41599 2.84553
47 2D2I NAP 0.003159 0.41489 2.84553
48 1ZGA SAH 0.01348 0.41289 2.84553
49 1P7T PYR 0.04152 0.40604 2.84553
50 1D1T NAD 0.001762 0.40296 2.84553
51 2VUT NAD 0.01066 0.40137 2.84553
52 1RKX NAD 0.0000006838 0.53252 3.25203
53 4NEC SAH 0.001305 0.45724 3.25203
54 3V1Y NAD 0.0006353 0.43676 3.25203
55 4N49 SAM 0.004226 0.41888 3.25203
56 1G60 SAM 0.005317 0.41778 3.25203
57 4M00 SUC 0.02238 0.40679 3.25203
58 1KYZ SAH 0.01137 0.40621 3.25203
59 4AT0 FAD 0.007056 0.40564 3.25203
60 1IXI 2HP 0.04657 0.40198 3.25203
61 1ZH8 NAP 0.002286 0.40056 3.25203
62 3LU1 NAD 0.00000009705 0.57109 3.65854
63 5JGL SAM 0.001276 0.45335 3.65854
64 1SB8 NAD 0.0000008228 0.45008 3.65854
65 5E9W SAH 0.002994 0.44891 3.65854
66 1SB8 UD2 0.000000571 0.44021 3.65854
67 1HDG NAD 0.000676 0.43897 3.65854
68 3CIF G3H 0.0008164 0.43021 3.65854
69 1DSS NAD 0.001115 0.43021 3.65854
70 3CIF NAD 0.0004538 0.42993 3.65854
71 4C4A SAH 0.004216 0.42225 3.65854
72 3GU3 SAH 0.01249 0.42223 3.65854
73 1GAD NAD 0.0006885 0.41794 3.65854
74 2AWN ADP 0.02456 0.41287 3.65854
75 1MUU NAD 0.003965 0.40799 3.65854
76 1LVL NAD 0.008 0.40681 3.65854
77 2HYV UAP SGN IDS SGN IDS 0.04023 0.4053 3.65854
78 2DKH FAD 0.004306 0.40003 3.65854
79 3DXY SAM 0.0143 0.41534 3.66972
80 3OFK SAH 0.01112 0.40991 3.7037
81 3EW2 BTN 0.03314 0.40065 3.7037
82 3LCC SAH 0.001624 0.44852 3.82979
83 4ZRN NAD 0.000000134 0.53823 4.06504
84 5MSO NAP 0.000004698 0.52114 4.06504
85 1EK6 NAI 0.0000001338 0.45229 4.06504
86 4ZRN UPG 0.0000006083 0.45027 4.06504
87 1YS4 NAP 0.001577 0.43394 4.06504
88 3G89 SAM 0.005513 0.43167 4.06504
89 1EK6 UPG 0.0000009257 0.42658 4.06504
90 1RJD SAM 0.002941 0.42572 4.06504
91 1MV8 NAD 0.001217 0.42558 4.06504
92 5H81 NAP 0.004552 0.41431 4.06504
93 4DMG SAM 0.01507 0.41421 4.06504
94 1WP4 NDP 0.002423 0.41093 4.06504
95 4KRI SAH 0.008846 0.40797 4.06504
96 1OMO NAD 0.005189 0.40603 4.06504
97 5E9H MLI 0.04326 0.40238 4.06504
98 2VYN NAD 0.003508 0.40208 4.06504
99 1QO8 FAD 0.007222 0.40084 4.06504
100 3S6X SIA GAL BGC 0.04692 0.40043 4.06504
101 3C3Y SAH 0.009532 0.40652 4.21941
102 2DC1 NAD 0.00177 0.41624 4.23729
103 4GGZ BTN 0.02871 0.40027 4.34783
104 1E7S NAP 0.000004038 0.51384 4.47154
105 1LTH NAD 0.0005578 0.44581 4.47154
106 4OBW SAM 0.002022 0.44017 4.47154
107 1KYQ NAD 0.002825 0.43742 4.47154
108 1R37 NAD 0.0008473 0.42831 4.47154
109 4M37 SAH 0.004247 0.42211 4.47154
110 4M38 SAH 0.005323 0.41452 4.47154
111 5JSQ 6MS 0.027 0.40161 4.62963
112 1Z45 NAD 0.000001376 0.52776 4.87805
113 2Q1S NAI 0.000006511 0.52252 4.87805
114 2VDV SAM 0.0008527 0.47074 4.87805
115 4D3F NAP 0.001964 0.42988 4.87805
116 1ZQ9 SAM 0.003534 0.42921 4.87805
117 4GKV NAD 0.0007766 0.4072 4.87805
118 2G5C NAD 0.002748 0.40357 4.87805
119 5GZ6 NDP 0.005789 0.41293 4.90798
120 2UYQ SAM 0.000573 0.50343 5.16129
121 4Z28 BTN 0.02717 0.40506 5.22388
122 3MJE NDP 0.0000000837 0.5735 5.28455
123 1BXK NAD 0.0000001437 0.56996 5.28455
124 1KEW NAD 0.000005197 0.53498 5.28455
125 1KEW TYD 0.000004917 0.5348 5.28455
126 2Q1W NAD 0.000004272 0.49767 5.28455
127 5MPT SAH 0.000291 0.4782 5.28455
128 1RPN NDP 0.000006576 0.47092 5.28455
129 2BH9 NAP 0.001741 0.45135 5.28455
130 3H8V ATP 0.001767 0.44282 5.28455
131 5L95 AMP 0.001696 0.43978 5.28455
132 1VKO NAD 0.0002617 0.43231 5.28455
133 3X0D SAH 0.005218 0.41814 5.28455
134 2F1K NAP 0.002129 0.41595 5.28455
135 5D4V SAH 0.006692 0.40717 5.28455
136 4NV0 MG7 0.02215 0.4059 5.28455
137 3TLJ SAH 0.006448 0.40495 5.28455
138 1HYE NAP 0.007078 0.40325 5.28455
139 2Q28 ADP 0.01186 0.4023 5.28455
140 4QTU SAM 0.001539 0.44165 5.28846
141 5N53 8NB 0.0364 0.4062 5.64103
142 4J1Q NDP 0.0000001153 0.55873 5.69106
143 4U7W NDP 0.000001728 0.5334 5.69106
144 1X87 NAD 0.001392 0.43281 5.69106
145 1WDK NAD 0.003566 0.41572 5.69106
146 5HJM MTA 0.006418 0.41416 5.69106
147 4N9Z V3L 0.01785 0.41312 5.69106
148 2CVQ NDP 0.001929 0.41203 5.69106
149 3A25 SAM 0.009895 0.40895 5.69106
150 1H9A NAP 0.003943 0.4027 5.69106
151 1OC2 TDX 0.00001396 0.40047 5.69106
152 1OC2 NAD 0.00001396 0.40047 5.69106
153 2DFV NAD 0.003921 0.40279 5.76369
154 5E1M SAH 0.01004 0.40252 5.80913
155 3MQ2 SAH 0.01568 0.40298 5.9633
156 3A4T SFG 0.001748 0.43204 6.09756
157 1A5Z NAD 0.002907 0.42262 6.09756
158 5JE8 NAD 0.002804 0.41406 6.09756
159 1TZD ADP 0.03627 0.41096 6.09756
160 5L4S 6KX 0.000000001348 0.58128 6.50407
161 5L4S NAP 0.000000001348 0.58128 6.50407
162 2IZ1 ATR 0.002379 0.46858 6.50407
163 5JAQ NAI 0.00003309 0.43695 6.50407
164 4D79 ATP 0.00241 0.43673 6.50407
165 5XVQ SAH 0.002684 0.42089 6.50407
166 4RDH AMP 0.009147 0.41735 6.50407
167 3LST SAH 0.01884 0.40583 6.50407
168 4AZW SAM 0.01002 0.40556 6.50407
169 4RDI ATP 0.01212 0.40496 6.50407
170 4AZT SAM 0.01248 0.40437 6.50407
171 2VHW NAI 0.004426 0.40306 6.50407
172 4LUS TCE 0.04862 0.40078 6.50407
173 4JLS 3ZE 0.04717 0.40111 6.57895
174 1O6Z NAD 0.0009463 0.43639 6.60066
175 4YEF 4CQ 0.02209 0.41915 6.74157
176 1GY8 NAD 0.000000197 0.55223 6.91057
177 2C29 DQH 0.000004677 0.44459 6.91057
178 2C29 NAP 0.000004715 0.44447 6.91057
179 1CER NAD 0.001101 0.42729 6.91057
180 2B4R AES 0.0008606 0.42255 6.91057
181 3EVG SAH 0.005214 0.42156 6.91057
182 2PV7 NAD 0.001756 0.41638 6.91057
183 1F6D UDP 0.01767 0.41459 6.91057
184 3LKZ SFG 0.006771 0.41312 6.91057
185 2B4R NAD 0.001272 0.41212 6.91057
186 4ONQ SFG 0.008813 0.41123 6.91057
187 5UAV TFB 0.0007194 0.40678 6.91057
188 2P41 SAH 0.01311 0.40341 6.91057
189 5ULP KB1 0.006099 0.40314 6.91057
190 5UAV NDP 0.001319 0.40092 6.91057
191 4R2I ANP 0.0463 0.40047 7.14286
192 5L53 NAP 0.00000000145 0.69095 7.31707
193 1V35 NAI 0.0000003609 0.4877 7.31707
194 5FA5 MTA 0.0005564 0.47469 7.31707
195 3BGD SAH 0.001375 0.43303 7.31707
196 1E5Q NDP 0.0008946 0.4248 7.31707
197 4GQB 0XU 0.00193 0.42368 7.31707
198 1Y8Q ATP 0.003031 0.41563 7.31707
199 4PNE SAH 0.005652 0.40734 7.31707
200 5JJR SAH 0.01078 0.40727 7.31707
201 5KOK SAH 0.01109 0.40359 7.31707
202 1LDM NAD 0.002858 0.40292 7.31707
203 5M58 SAH 0.008901 0.40785 7.3913
204 2PXX SAH 0.003376 0.42653 7.44186
205 3ABI NAD 0.00001013 0.49513 7.72358
206 3OA2 NAD 0.0002092 0.44895 7.72358
207 3B1F NAD 0.001723 0.4323 7.72358
208 1YQT ADP 0.02181 0.42097 7.72358
209 3A27 SAM 0.01125 0.40641 7.72358
210 1CDO NAD 0.004405 0.40343 7.72358
211 1LDN NAD 0.003417 0.40133 7.72358
212 1VE3 SAM 0.004469 0.42459 7.92952
213 3EGI ADP 0.00518 0.45136 8.13008
214 1P31 EPU 0.006329 0.41775 8.13008
215 3GDH SAH 0.00388 0.41122 8.13008
216 4XZ3 COA 0.008187 0.4006 8.13008
217 3O26 NDP 0.00000000009416 0.68445 8.53659
218 4X1Z FUC GAL NDG 0.002003 0.47915 8.53659
219 3H9E NAD 0.0004022 0.44462 8.53659
220 1NVM NAD 0.001227 0.41254 8.53659
221 9LDT NAD 0.001731 0.4125 8.53659
222 9LDB NAD 0.001448 0.40999 8.53659
223 1I2B NAD 0.00001259 0.40286 8.53659
224 4PIV NDP 0.000003498 0.51439 8.94309
225 2HK9 ATR 0.002227 0.46011 8.94309
226 1SQF SAM 0.001027 0.45347 8.94309
227 1PL6 NAD 0.0007026 0.45273 8.94309
228 2EXX NAP 0.000359 0.4208 8.94309
229 3KO8 NAD 0.00000006339 0.56271 9.34959
230 5F8F SFG 0.00405 0.43406 9.34959
231 2BZG SAH 0.006544 0.41709 9.48276
232 1F8F NAD 0.002168 0.41857 9.7561
233 2ZJ5 ADP 0.02783 0.41542 9.7561
234 1G55 SAH 0.001971 0.43689 10.1626
235 2DT5 NAD 0.002376 0.40856 10.4265
236 4TQG NDP 0.00000004223 0.59031 10.5691
237 3OJO NAD 0.006645 0.4044 10.5691
238 5MGZ SAH 0.01116 0.40348 10.5932
239 5KEW 6SB 0.01854 0.41756 10.6383
240 5THY SAH 0.001246 0.44192 10.9756
241 5LD5 NAD 0.001116 0.43682 10.9756
242 1BC5 SAH 0.002018 0.42606 10.9756
243 1X9I G6Q 0.02729 0.40138 10.9756
244 5IN4 NAP 0.0001123 0.5304 11.3821
245 5IN4 6CK 0.0001103 0.5304 11.3821
246 5IN4 GDP 0.0001324 0.526 11.3821
247 1X7D NAD 0.001805 0.41313 11.3821
248 4RSL FAD 0.0008007 0.40052 11.3821
249 2A14 SAH 0.006505 0.40769 11.7886
250 5O4J 9KH 0.003307 0.40563 11.7886
251 5O4J SAH 0.003307 0.40563 11.7886
252 5O4J PJL 0.003103 0.40547 11.7886
253 2ZWA SAH 0.001609 0.43357 12.1951
254 4DCM SAM 0.0126 0.41076 12.1951
255 1NYT NAP 0.003943 0.40808 12.1951
256 3T2W BTN 0.006189 0.43769 12.2951
257 3KYQ DPV 0.01592 0.4254 12.5628
258 4EUE NAI 0.000003886 0.49867 13.0081
259 3ORF NAD 0.0000008245 0.54094 13.4146
260 2BKA NDP 0.000002428 0.52299 13.4146
261 5K7U SAM 0.007278 0.415 13.4146
262 3L4S NAD 0.001138 0.41001 13.4146
263 5IL1 SAM 0.01041 0.40795 13.4146
264 3L4S 3PG 0.001233 0.40501 13.4146
265 3CMC NAD 0.004723 0.42448 13.8211
266 1ORR NAD 0.0000001284 0.54479 14.2276
267 2C5A NAD 0.000000157 0.45021 14.2276
268 2C5A GDC 0.000000157 0.45021 14.2276
269 1XL8 152 0.02972 0.41116 15.0407
270 4HXY NDP 0.00000001211 0.59695 15.7534
271 4HXY ACA 0.0141 0.41129 15.7534
272 2HMT NAI 0.0004398 0.45756 16.6667
273 5MDH NAD 0.0007383 0.43103 16.6667
274 4MDH NAD 0.0009723 0.42638 16.6667
275 1Y1P NMN AMP PO4 0.000005418 0.53351 17.0732
276 2YX1 SFG 0.008754 0.42197 17.0732
277 5DP2 NAP 0.003782 0.40339 17.4797
278 5FTW SAH 0.0006937 0.45297 17.8862
279 1DCP HBI 0.02784 0.41563 18.2692
280 1N5D NDP 0.000000001051 0.63487 18.2927
281 2YY7 NAD 0.0000000006553 0.65531 19.5122
282 2DKN NAI 0.00000000005697 0.70011 19.9187
283 4II2 ATP 0.003154 0.4244 20.4819
284 1LSS NAD 0.0003505 0.46584 20.7143
285 1HDR NAD 0.00002749 0.40396 22.1311
286 3A4V PYR 0.000000005685 0.56906 22.7642
287 3A4V NAD 0.000000005685 0.56906 22.7642
288 1WMA AB3 0.000000002003 0.5371 23.9837
289 1WMA NDP 0.000000002003 0.5371 23.9837
290 5E8J SAH 0.002475 0.44844 25
291 1P77 ATR 0.003323 0.4616 25.3676
292 1W73 NAP 0.000000001019 0.68123 26.0163
293 1W8D NAP 0.000000001097 0.67991 26.0163
294 1W6U NAP 0.0000000005231 0.69311 26.8293
295 4Q9N NAI 0.0000001586 0.56518 27.6423
296 1D7O NAD 0.000001873 0.48231 29.2683
297 4O1M NAD 0.00000002867 0.59101 29.6748
298 3H4V DVP 0.0000002147 0.48365 30.8943
299 3H4V NAP 0.0000007944 0.472 30.8943
300 5KKA 6V0 0.0001494 0.44134 31.3008
301 1Z6Z NAP 0.00000000477 0.62032 32.9268
302 3RJ5 NAD 0.000000000623 0.58762 33.3333
303 4J7U NAP 0.000000008077 0.5282 33.7398
304 4J7U YTZ 0.000000008077 0.5282 33.7398
305 1GZ6 NAI 0.000000005614 0.60839 36.1789
306 2WYV NAD 0.000003185 0.51404 36.1789
307 2BD0 NAP 0.00000000000415 0.71139 37.3984
308 3WXB NDP 0.0000000002559 0.65718 37.8049
309 1ZBQ NAD 0.00000000776 0.59463 37.8049
310 3CH6 NAP 0.000000001185 0.46994 38.2114
311 3CH6 311 0.000000001185 0.46994 38.2114
312 1OAA OAA 0.00000000608 0.52555 38.6179
313 1XSE NDP 0.00000000008307 0.59564 39.0244
314 1A27 NAP 0.0000000005779 0.6548 39.8374
315 4D42 NAP 0.00000006641 0.61028 39.8374
316 4D42 W0I 0.00000006641 0.61028 39.8374
317 3HB5 NAP 0.0000000007857 0.52097 39.8374
318 4K26 NDP 0.0000000002899 0.65566 40.2439
319 4K26 SFF 0.0000000002685 0.5882 40.2439
320 3RKR NAP 0.00000567 0.59092 41.0569
321 1FK8 NAD 0.0000000008113 0.67756 43.9024
322 4FC7 NAP 0.0000000001983 0.57325 44.3089
323 4FC7 COA 0.0000000001983 0.57325 44.3089
324 1YXM ADE 0.000002931 0.63847 44.7154
325 1QG6 TCL 0.0000001153 0.49119 45.122
326 1QG6 NAD 0.0000001153 0.49119 45.122
327 3OJF IMJ 0.0000000772 0.59567 45.5285
328 3OJF NDP 0.00000005876 0.58965 45.5285
329 4OHU NAD 0.0000000525 0.4548 45.5285
330 4OHU 2TK 0.0000000525 0.4548 45.5285
331 5CG1 NAD BBN 0.0000006962 0.41465 45.5285
332 1E3W NAD 0.000000000001447 0.75268 45.935
333 3V1U NAD 0.00000000001442 0.74809 46.3415
334 1G0N PHH 0.00000000001119 0.74681 46.3415
335 1G0N NDP 0.00000000001105 0.7403 46.3415
336 2PD4 DCN 0.00000004996 0.54663 47.1545
337 2PD4 NAD 0.00000005739 0.54474 47.1545
338 3OIG NAD 0.0000001393 0.57595 47.561
339 3ZV6 NAD 0.00000000004259 0.59793 47.9675
340 3ZV6 4HB 0.00000000004801 0.58942 47.9675
341 3NUG NAD 0.0000000000006305 0.76936 48.7805
342 2AE2 NAP 0.00000000000253 0.76996 49.187
343 2AE2 PTO 0.00000000000253 0.64146 49.187
344 3BMQ NAP 0.0000001287 0.56647 49.187
345 4CME NAP 0.0000001928 0.56508 49.187
346 3JQ7 NAP 0.0000002653 0.56507 49.187
347 3BMN NAP 0.000000144 0.56463 49.187
348 4CM9 NAP 0.0000001529 0.56365 49.187
349 3JQF NAP 0.0000001605 0.56286 49.187
350 3JQ8 NAP 0.0000001628 0.56264 49.187
351 4CLO NAP 0.0000003118 0.56234 49.187
352 3JQ9 NAP 0.0000002429 0.55609 49.187
353 3BMO NAP 0.000000352 0.55508 49.187
354 4CM8 NAP 0.0000003824 0.5537 49.187
355 4CM4 NAP 0.0000003887 0.55343 49.187
356 4CLR NAP 0.0000004 0.55296 49.187
357 2WD7 NAP 0.0000005122 0.54885 49.187
358 3JQG NAP 0.0000007152 0.54831 49.187
359 3JQA NAP 0.0000008019 0.54638 49.187
360 4CMI NAP 0.0000006069 0.54603 49.187
361 3JQB NAP 0.0000009795 0.543 49.187
362 3AFN NAP 0.0000000005655 0.66263 49.5935
363 3OID NDP 0.000000001862 0.60966 49.5935
364 3D3W NAP 0.0000000002923 0.63568 50
Pocket No.: 2; Query (leader) PDB : 2AG5; 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: 2ag5.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2AG5; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2ag5.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2AG5; Ligand: NAD; 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: 2ag5.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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