Receptor
PDB id Resolution Class Description Source Keywords
4NBW 2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF FABG FROM PLESIOCYSTIS PACIFICA PLESIOCYSTIS PACIFICA SIR-1 REDUCTASE OXIDOREDUCTASE
Ref.: BIOCHEMICAL AND STRUCTURAL STUDIES OF NADH-DEPENDEN USED TO INCREASE THE BACTERIAL PRODUCTION OF FATTY UNDER ANAEROBIC CONDITIONS. APPL.ENVIRON.MICROBIOL. V. 80 497 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD D:301;
B:301;
C:301;
A:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NBW 2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF FABG FROM PLESIOCYSTIS PACIFICA PLESIOCYSTIS PACIFICA SIR-1 REDUCTASE OXIDOREDUCTASE
Ref.: BIOCHEMICAL AND STRUCTURAL STUDIES OF NADH-DEPENDEN USED TO INCREASE THE BACTERIAL PRODUCTION OF FATTY UNDER ANAEROBIC CONDITIONS. APPL.ENVIRON.MICROBIOL. V. 80 497 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4NBW - 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 4NBW - 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 : 4NBW; Ligand: NAD; Similar sites found: 360
This union binding pocket(no: 1) in the query (biounit: 4nbw.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PNO NAP 0.004907 0.40029 1.11111
2 5FTW SAH 0.002308 0.42743 1.17188
3 4KXQ APR 0.002768 0.4207 1.55642
4 4I5I NAD 0.002724 0.40612 1.55642
5 2UYQ SAM 0.0004019 0.51051 1.94553
6 3H8V ATP 0.0006543 0.45924 1.94553
7 4N9Z V3L 0.005415 0.45276 1.94553
8 2VUT NAD 0.001901 0.43107 1.94553
9 3SSO SAH 0.003672 0.41875 1.94553
10 1F8F NAD 0.003369 0.40805 1.94553
11 2WK1 SAH 0.006966 0.40676 1.94553
12 1TI7 NAP 0.000867 0.40491 1.94553
13 3LCC SAH 0.0006748 0.46305 2.12766
14 1VE3 SAM 0.007526 0.41168 2.20264
15 4Z28 BTN 0.01293 0.41891 2.23881
16 1A5Z NAD 0.0000761 0.48657 2.33463
17 9LDT NAD 0.0001389 0.46086 2.33463
18 3OA2 NAD 0.0001274 0.45148 2.33463
19 1I0Z NAI 0.0001441 0.44472 2.33463
20 3EVG SAH 0.001415 0.44424 2.33463
21 9LDB NAD 0.0001328 0.44104 2.33463
22 3GGO ENO 0.001326 0.43457 2.33463
23 1G55 SAH 0.002437 0.42996 2.33463
24 4GKV NAD 0.0002485 0.41711 2.33463
25 3A4T SFG 0.003951 0.41417 2.33463
26 1CER NAD 0.002694 0.40907 2.33463
27 2G5C NAD 0.00157 0.40678 2.33463
28 2PWY SAH 0.001208 0.40668 2.33463
29 2A92 NAI 0.001043 0.40593 2.33463
30 5BW4 SAM 0.001621 0.40076 2.33463
31 2CDU ADP 0.01592 0.40014 2.33463
32 2D6M LBT 0.02591 0.40249 2.51572
33 1MV8 NAD 0.0004339 0.44018 2.72374
34 1P31 EPU 0.002029 0.43722 2.72374
35 5F8F SFG 0.00607 0.42307 2.72374
36 2YX1 SFG 0.007539 0.42244 2.72374
37 4DCM SAM 0.01211 0.40899 2.72374
38 5DN9 NAD 0.003501 0.40857 2.72374
39 4BUZ OAD 0.001439 0.40477 2.84553
40 4BUZ NAD 0.003437 0.40222 2.84553
41 4Z3E GAL NGA GLA BGC GAL 0.03823 0.40072 3.0303
42 4PVD NDP 0.0000001017 0.57103 3.11284
43 2PZM UDP 0.000001327 0.55941 3.11284
44 2PZM NAD 0.000001327 0.55941 3.11284
45 1X87 NAD 0.0007081 0.44203 3.11284
46 2CVQ NDP 0.0002944 0.43781 3.11284
47 1RJD SAM 0.001408 0.43668 3.11284
48 3X0D SAH 0.003384 0.42369 3.11284
49 2VHW NAI 0.002071 0.42122 3.11284
50 1N7G GDR 0.0000007632 0.41847 3.11284
51 5GM1 SAH 0.00395 0.41109 3.11284
52 1VJT NAD 0.006708 0.41062 3.11284
53 4KRG SAH 0.01047 0.40851 3.11284
54 2PV7 NAD 0.002399 0.40825 3.11284
55 1OBB NAD 0.005084 0.40367 3.11284
56 4BLW AMP 0.005396 0.40232 3.11284
57 2PHU MAN MAN 0.02771 0.40713 3.1746
58 1Q8S MAN MMA 0.03198 0.40513 3.1746
59 1Q8Q MAN MMA 0.03307 0.40399 3.1746
60 1UKG MMA 0.02708 0.40233 3.1746
61 2PHT MAN MAN MAN 0.04113 0.40102 3.1746
62 1QAN SAH 0.003483 0.41648 3.27869
63 3LST SAH 0.002848 0.44268 3.50195
64 4N49 SAM 0.001032 0.44248 3.50195
65 1SQF SAM 0.002793 0.431 3.50195
66 3G2O SAM 0.00282 0.43081 3.50195
67 5LD5 NAD 0.001455 0.42908 3.50195
68 5T9F TYR 0.001531 0.42764 3.50195
69 3B1F NAD 0.002177 0.4251 3.50195
70 5T9F NAP 0.001739 0.42426 3.50195
71 1TZD ADP 0.02251 0.42097 3.50195
72 5K7U SAM 0.00478 0.42053 3.50195
73 1E5Q NDP 0.001705 0.40959 3.50195
74 2JHP SAH 0.01019 0.40904 3.50195
75 5T9E NAP 0.001864 0.40899 3.50195
76 4A6D SAM 0.007641 0.40813 3.50195
77 5UAV TFB 0.004553 0.40754 3.50195
78 5UAV NDP 0.004553 0.40754 3.50195
79 3LXI CAM 0.03451 0.40658 3.50195
80 3GXO SAH 0.01395 0.4061 3.50195
81 3WQQ IB3 0.006904 0.40538 3.50195
82 1NVM NAD 0.001009 0.40271 3.50195
83 3ORF NAD 0.0000001204 0.56575 3.58566
84 3MQ2 SAH 0.01157 0.40652 3.66972
85 5L95 AMP 0.0008265 0.4041 3.75
86 1RKX NAD 0.00000001619 0.58178 3.89105
87 1LDN NAD 0.0004614 0.44046 3.89105
88 4RSL FAD 0.0007103 0.43979 3.89105
89 1U1I NAD 0.00006051 0.43899 3.89105
90 2P41 SAH 0.00217 0.43592 3.89105
91 1HDG NAD 0.001367 0.42369 3.89105
92 1ZQ9 SAM 0.006855 0.4135 3.89105
93 4GQB 0XU 0.002917 0.41349 3.89105
94 5CDH TLA 0.01953 0.40533 3.89105
95 3OFK SAH 0.005854 0.4201 4.16667
96 2DC1 NAD 0.0005561 0.43272 4.23729
97 5IN4 6CK 0.000004017 0.6056 4.28016
98 5IN4 NAP 0.000004103 0.6056 4.28016
99 5IN4 GDP 0.00000481 0.60103 4.28016
100 1ORR NAD 0.000000003657 0.58636 4.28016
101 1Y1P NMN AMP PO4 0.000003306 0.53853 4.28016
102 1V6A TRE 0.0001773 0.52947 4.28016
103 5JAQ NAI 0.00002492 0.50212 4.28016
104 3ABI NAD 0.00005196 0.46081 4.28016
105 5E8J SAH 0.003394 0.43904 4.28016
106 1KYQ NAD 0.004481 0.42542 4.28016
107 1GAD NAD 0.001201 0.41684 4.28016
108 1F8G NAD 0.003481 0.41649 4.28016
109 2OOR NAD 0.003978 0.41404 4.28016
110 5THY SAH 0.005085 0.41265 4.28016
111 1L7E NAI 0.004057 0.40766 4.28016
112 2DFV NAD 0.003194 0.40345 4.28016
113 3ZNN FAD 0.01556 0.40191 4.28016
114 2Q46 NAP 0.000000503 0.54236 4.34783
115 3HVJ 705 0.006777 0.40169 4.52489
116 3RDO BTN 0.01147 0.4137 4.57516
117 2Q1S NAI 0.0000006045 0.57339 4.66926
118 2Q1W NAD 0.0000005522 0.52001 4.66926
119 1SB8 NAD 0.00000000313 0.49902 4.66926
120 1SB8 UD2 0.000000002092 0.48509 4.66926
121 1ZGA SAH 0.001882 0.45128 4.66926
122 1I9G SAM 0.003047 0.42224 4.66926
123 2EXX NAP 0.0002578 0.42008 4.66926
124 1X14 NAD 0.01103 0.40747 4.66926
125 4AZT SAM 0.01022 0.4057 4.66926
126 4AZW SAM 0.009742 0.40348 4.66926
127 2PX8 SAH 0.008704 0.40884 4.83271
128 3LU1 NAD 0.0000000005894 0.64069 4.94506
129 1WVG APR 0.0000005537 0.55911 5.05837
130 2X6T NAP 0.0000003702 0.53923 5.05837
131 1EQ2 NAP 0.0000009821 0.5234 5.05837
132 1HYE NAP 0.00177 0.42555 5.05837
133 4QTU SAM 0.003295 0.4242 5.05837
134 3A27 SAM 0.00648 0.4146 5.05837
135 1P77 ATR 0.002349 0.46674 5.14706
136 1VM6 NAD 0.002277 0.40272 5.26316
137 3BXO SAM 0.006388 0.42589 5.43933
138 3KO8 NAD 0.0000000004259 0.62672 5.44747
139 4TQG NDP 0.000000005156 0.61667 5.44747
140 4ZRN NAD 0.000000001633 0.58917 5.44747
141 1E7S NAP 0.0000003634 0.5638 5.44747
142 1RPN NDP 0.00000006688 0.52328 5.44747
143 4ZRN UPG 0.000000009165 0.48225 5.44747
144 1LTH NAD 0.00008917 0.47508 5.44747
145 1LDM NAD 0.000245 0.43657 5.44747
146 1UXG NAD 0.00009545 0.4182 5.44747
147 2EG5 SAH 0.01129 0.41403 5.44747
148 2F1K NAP 0.003701 0.40365 5.44747
149 1FNZ A2G 0.02554 0.41236 5.48523
150 2DT5 NAD 0.002277 0.405 5.6872
151 1LSS NAD 0.00006775 0.49337 5.71429
152 1I2B USQ 0.001043 0.48118 5.83658
153 1I2B UPG 0.001043 0.48118 5.83658
154 2C29 DQH 0.0000009498 0.4554 5.83658
155 2C29 NAP 0.0000009588 0.45525 5.83658
156 1I2B NAD 0.0000002968 0.43212 5.83658
157 1LVL NAD 0.001929 0.43079 5.83658
158 4DMG SAM 0.009641 0.4212 5.83658
159 5IL1 SAM 0.005351 0.41833 5.83658
160 1YS4 NAP 0.003178 0.41816 5.83658
161 5JJR SAH 0.006001 0.4161 5.83658
162 4FGC PQ0 0.04268 0.40213 6.06061
163 5MSO NAP 0.00000009447 0.57265 6.22568
164 5ULP KB1 0.003418 0.41069 6.22568
165 3OND ADN 0.008272 0.40748 6.22568
166 1J5P NAD 0.00162 0.41483 6.32411
167 1FUT 2GP 0.03525 0.40682 6.60377
168 1V35 NAI 0.000001221 0.46635 6.61479
169 4RDH AMP 0.002486 0.44121 6.61479
170 2ZWA SAH 0.001318 0.4343 6.61479
171 3VPH NAD 0.0003141 0.41865 6.61479
172 4RPL FAD 0.0122 0.41036 6.61479
173 4RPL 3UC 0.01498 0.40831 6.61479
174 3VPH OXM 0.0005568 0.40322 6.61479
175 4D79 ATP 0.0004839 0.40229 6.61479
176 3EW2 BTN 0.01456 0.41631 6.66667
177 4U7W NDP 0.00000007662 0.58148 7.00389
178 1GY8 NAD 0.00000003154 0.56998 7.00389
179 4NEC SAH 0.001427 0.45248 7.00389
180 1VKO NAD 0.00004748 0.45076 7.00389
181 5MPT SAH 0.001477 0.44341 7.00389
182 1PL6 NAD 0.001564 0.43471 7.00389
183 1BW9 NAD 0.003918 0.41432 7.00389
184 1WP4 NDP 0.003038 0.40429 7.00389
185 1J0X NAD 0.008312 0.40394 7.00389
186 1C1X NAD 0.003851 0.40297 7.00389
187 4L8V NAP 0.00421 0.40158 7.00389
188 3G89 SAM 0.007615 0.42223 7.22892
189 1HDO NAP 0.000002499 0.48718 7.28155
190 5M67 3D1 0.007872 0.40919 7.393
191 5M67 NAD 0.008035 0.40882 7.393
192 5M67 ADE 0.008047 0.4088 7.393
193 1X7D NAD 0.002363 0.4043 7.393
194 3CIF G3H 0.00571 0.40017 7.393
195 1UWK NAD 0.0004142 0.45942 7.7821
196 4C4A SAH 0.001983 0.43389 7.7821
197 4OOE NDP 0.001911 0.41492 8.17121
198 1YBH P22 0.02461 0.4048 8.17121
199 5CAE COA 0.005788 0.40137 8.17121
200 2XYQ SAH 0.003631 0.42589 8.19672
201 2HMT NAI 0.0001375 0.47574 8.33333
202 1EJ0 SAM 0.001242 0.44677 8.33333
203 1R6D NAD 0.00000008154 0.62175 8.56031
204 1R6D DAU 0.0000002841 0.59773 8.56031
205 5KKA 6V0 0.000008942 0.50917 8.56031
206 1EZ4 NAD 0.0001538 0.45027 8.56031
207 1UP7 NAD 0.001151 0.41389 8.56031
208 1R37 NAD 0.003086 0.41196 8.56031
209 4D1J DGJ 0.02775 0.40966 8.56031
210 3UCL NAP 0.01587 0.4078 8.56031
211 3LKZ SFG 0.004173 0.41969 8.72274
212 2C5A GDC 0.00000000493 0.47493 8.94942
213 2C5A NAD 0.00000000493 0.47493 8.94942
214 2YY7 NAD 0.000000003074 0.64285 8.97436
215 1WDK NAD 0.003915 0.41125 9.33852
216 4KRI SAH 0.01016 0.40267 9.33852
217 3QV1 NAD 0.003965 0.40247 9.7561
218 5MDH NAD 0.00004879 0.47345 10.1167
219 4MDH NAD 0.00007596 0.46604 10.1167
220 1MUU NAD 0.0009475 0.43005 10.1167
221 4OBW SAM 0.00837 0.40961 10.1167
222 4GGZ BTN 0.02596 0.40001 10.4348
223 1KEW TYD 0.0000001829 0.60314 10.5058
224 1KEW NAD 0.0000005994 0.58292 10.5058
225 2BH9 NAP 0.004155 0.43077 10.5058
226 3GU3 SAH 0.007959 0.42951 10.5058
227 3NJ4 NAD 0.03978 0.40655 10.5058
228 4GLL NAD 0.00000000448 0.63878 11.284
229 4M73 SAH 0.002682 0.41673 11.284
230 3GDH SAH 0.004399 0.40623 11.6183
231 2HK9 ATR 0.006326 0.43451 11.6732
232 1V59 NAD 0.02542 0.40046 11.6732
233 1Y8Q ATP 0.001172 0.4296 12.0623
234 3GFB NAD 0.003194 0.40345 12.0623
235 2FR1 NDP 0.000000000445 0.62517 12.4514
236 5HJM MTA 0.007474 0.40855 12.4514
237 3MB5 SAM 0.0005873 0.44539 12.549
238 1KYZ SAH 0.004139 0.42334 12.8405
239 1U8X NAD 0.002565 0.4099 12.8405
240 3CMC NAD 0.01669 0.40568 12.8405
241 3C3Y SAH 0.008279 0.4066 13.5021
242 2BKA NDP 0.00000136 0.52585 13.6187
243 4M37 SAH 0.002679 0.42815 14.0078
244 4M38 SAH 0.002572 0.42541 14.0078
245 1OC2 TDX 0.0000002634 0.42804 14.3969
246 1OC2 NAD 0.0000002634 0.42804 14.3969
247 3MJE NDP 0.0000000001786 0.68849 14.7177
248 1Z45 NAD 0.00000001055 0.59573 14.786
249 4EUE NAI 0.000003956 0.49164 14.786
250 3DXY SAM 0.003401 0.44338 15.1376
251 3OJO NAD 0.002285 0.42094 15.5642
252 2IZ1 ATR 0.008842 0.43325 16.3424
253 4OHU 2TK 0.0000002287 0.43127 16.3424
254 4OHU NAD 0.0000002287 0.43127 16.3424
255 2WYV NAD 0.000003562 0.50512 16.7315
256 1GUZ NAD 0.0001666 0.45458 16.7315
257 4II2 ATP 0.001144 0.44056 16.8675
258 2JJQ SAH 0.01404 0.40948 17.1206
259 1QG6 TCL 0.0000003854 0.58139 17.5097
260 3OIG NAD 0.0000007718 0.54283 17.5097
261 1D7O NAD 0.00000126 0.48097 17.5097
262 1QG6 NAD 0.0000003854 0.46898 17.5097
263 2PXX SAH 0.002004 0.43368 17.5097
264 5CG1 NAD BBN 0.0000007689 0.40885 17.5097
265 4O1M NAD 0.0000002667 0.54681 17.8988
266 3OJF NDP 0.0000002842 0.51329 17.8988
267 3OJF IMJ 0.0000002982 0.48054 17.8988
268 2VDV SAM 0.002394 0.44628 18.2879
269 4D42 NAP 0.0000001769 0.60374 19.0661
270 4D42 W0I 0.0000001769 0.60374 19.0661
271 5JE8 NAD 0.001531 0.42174 19.0661
272 2D2I NAP 0.00592 0.4038 19.8444
273 4PIV NDP 0.00000008042 0.58742 20.6226
274 3H9E NAD 0.00345 0.40485 21.7899
275 1SOW NAD 0.0002424 0.42757 22.5681
276 4HXY NDP 0.0000000001114 0.65779 22.6027
277 5L4S 6KX 0.0000000005882 0.68481 25.1572
278 5L4S NAP 0.0000000005882 0.68481 25.1572
279 1BXK NAD 0.00000001866 0.59578 25.6809
280 1O6Z NAD 0.0004698 0.44574 25.6809
281 3RFV NAI 0.00000002168 0.60261 28.7938
282 3RFV 15L 0.000001424 0.53757 28.7938
283 3A4V NAD 0.0000000003193 0.59621 31.5175
284 3A4V PYR 0.0000000003193 0.59621 31.5175
285 1GV0 NAD 0.0001257 0.4474 31.5175
286 4K26 NDP 0.0000000001903 0.6483 31.9066
287 4K26 SFF 0.000000000596 0.56426 31.9066
288 1EK6 NAI 0.00000001239 0.46583 31.9066
289 1EK6 UPG 0.00000008083 0.44096 31.9066
290 3CH6 NAP 0.000000002337 0.69614 32.2957
291 4J1Q NDP 0.000000003971 0.63101 32.2957
292 1Z6Z NAP 0.000000001746 0.62399 32.2957
293 3RJ5 NAD 0.0000000005619 0.57438 32.2957
294 3CH6 311 0.000000002337 0.45167 32.2957
295 4J7U NAP 0.000000009774 0.64501 32.6848
296 4J7U YTZ 0.000000009774 0.64501 32.6848
297 5L53 NAP 0.00000000116 0.61395 32.6848
298 1XSE NDP 0.00000000009016 0.57931 33.0739
299 1HDR NAD 0.00000787 0.41324 33.0739
300 4Q9N NAI 0.0000007138 0.52499 33.463
301 2PD4 DCN 0.0000002769 0.51378 33.463
302 2PD4 NAD 0.0000003235 0.51128 33.463
303 1OAA OAA 0.000000002307 0.52416 34.6304
304 2BD0 NAP 0.000000000004042 0.69637 35.2459
305 1WMA AB3 0.000000002802 0.52495 36.965
306 1WMA NDP 0.000000002802 0.52495 36.965
307 1W8D NAP 0.00000000004295 0.73182 37.0861
308 1W73 NAP 0.00000000004771 0.72996 37.0861
309 1W6U NAP 0.00000000001799 0.74717 37.7483
310 3WXB NDP 0.00000000002703 0.67826 38.9105
311 3HB5 NAP 0.0000000001639 0.52639 40.4669
312 3O26 NDP 0.00000000005419 0.70865 40.856
313 1UDB NAD 0.00000002981 0.46425 40.856
314 1N5D NDP 0.0000000003983 0.63759 41.2451
315 2DKN NAI 0.000000000003667 0.73361 43.5798
316 1YXM ADE 0.00000009351 0.71683 44.358
317 1A27 NAP 0.0000000009378 0.63456 44.358
318 1GZ6 NAI 0.00000000002228 0.68036 44.7471
319 2AE2 PTO 0.00000000001169 0.75991 45.5253
320 2AE2 NAP 0.00000000001169 0.75991 45.5253
321 1ZBQ NAD 0.00000000002836 0.66526 45.5253
322 1FK8 NAD 0.00000000001323 0.74357 46.6926
323 3H4V DVP 0.00000000915 0.64618 46.6926
324 3H4V NAP 0.00000004202 0.61752 46.6926
325 3OID NDP 0.0000000006066 0.61384 47.4708
326 3OID TCL 0.03979 0.40165 47.4708
327 3D3W NAP 0.00000000003155 0.72594 47.9508
328 3AI3 SOL 0.01311 0.42734 48.249
329 4FC7 COA 0.00000000001537 0.75938 48.6381
330 2VZ0 D64 0.00000006636 0.6476 48.6381
331 2VZ0 NAP 0.00000006636 0.6476 48.6381
332 4CM9 NAP 0.00000000552 0.63052 48.6381
333 4CME NAP 0.00000001018 0.61775 48.6381
334 3JQ7 NAP 0.00000001119 0.61367 48.6381
335 4CLO NAP 0.00000001622 0.60746 48.6381
336 4CLR NAP 0.00000002155 0.60514 48.6381
337 3JQF NAP 0.000000007837 0.60062 48.6381
338 3BMQ NAP 0.000000008376 0.59962 48.6381
339 3JQ8 NAP 0.000000008491 0.59931 48.6381
340 3BMN NAP 0.00000000875 0.59873 48.6381
341 4CM8 NAP 0.00000001591 0.59825 48.6381
342 4CM4 NAP 0.00000001627 0.59786 48.6381
343 3JQA NAP 0.00000003274 0.59571 48.6381
344 3BMO NAP 0.00000001948 0.59499 48.6381
345 3JQG NAP 0.00000003639 0.59394 48.6381
346 3JQB NAP 0.00000004434 0.59064 48.6381
347 2WD7 NAP 0.00000002553 0.59064 48.6381
348 4CMI NAP 0.00000002805 0.58913 48.6381
349 4FC7 NAP 0.00000000001537 0.58543 48.6381
350 3JQ9 NAP 0.00000002242 0.58438 48.6381
351 2WD7 VGD 0.00573 0.43805 48.6381
352 3JQB DX6 0.008321 0.43777 48.6381
353 3BMO AX4 0.01088 0.43657 48.6381
354 4CM4 4NR 0.009792 0.43557 48.6381
355 3JQ9 AX1 0.007632 0.43493 48.6381
356 4CMI M4V 0.01736 0.40504 48.6381
357 1ZEM NAD 0.00000000001168 0.73698 49.4163
358 3ZV6 NAD 0.000000000004146 0.61171 49.4163
359 3ZV6 4HB 0.000000000004692 0.6027 49.4163
360 1E3W NAD 0.00000000000003131 0.79438 49.8054
Pocket No.: 2; Query (leader) PDB : 4NBW; 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: 4nbw.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4NBW; 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: 4nbw.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4NBW; 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: 4nbw.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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