Receptor
PDB id Resolution Class Description Source Keywords
4NBT 1.48 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF FABG FROM ACHOLEPLASMA LAIDLAWII ACHOLEPLASMA LAIDLAWII 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(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NBT 1.48 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF FABG FROM ACHOLEPLASMA LAIDLAWII ACHOLEPLASMA LAIDLAWII 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 12 families.
1 4NBT - 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 10 families.
1 4NBT - 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 : 4NBT; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4nbt.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4NBT; Ligand: NAD; Similar sites found: 379
This union binding pocket(no: 2) in the query (biounit: 4nbt.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2DC1 NAD 0.0008279 0.42147 None
2 1D1T NAD 0.002572 0.4099 1.25
3 1E7S NAP 0.0000001133 0.57815 1.66667
4 3OA2 NAD 0.0004614 0.43427 1.66667
5 3UOY FAD 0.01273 0.40916 1.66667
6 3UOY NAP 0.01273 0.40916 1.66667
7 4L8V NAP 0.00359 0.40169 1.66667
8 2DBZ NAP 0.002081 0.40935 1.79641
9 4GKV NAD 0.0004913 0.44043 2.08333
10 2TOH HBI 0.03188 0.40944 2.08333
11 4Q9N NAI 0.00000003103 0.59768 2.5
12 5MDH NAD 0.0001462 0.44914 2.5
13 4MDH NAD 0.0003093 0.44416 2.5
14 3A70 NPO 0.01251 0.42817 2.5
15 2VDV SAM 0.01008 0.41771 2.5
16 1HDR NAD 0.00002388 0.40428 2.5
17 4N14 WR7 0.03487 0.40204 2.5
18 1E1M FAD 0.01341 0.40034 2.5
19 1HDO NAP 0.000001744 0.49644 2.91262
20 1UDB NAD 0.00000009876 0.45762 2.91667
21 1I0Z NAI 0.0001409 0.44871 2.91667
22 1SAY PYR 0.0009431 0.4294 2.91667
23 5T9F TYR 0.001255 0.42822 2.91667
24 5T9F NAP 0.001569 0.42322 2.91667
25 2B4R NAD 0.00216 0.41151 2.91667
26 3MB5 SAM 0.0009228 0.40444 2.91667
27 5XVQ SAH 0.006741 0.40282 2.91667
28 4M52 FAD 0.007641 0.40216 2.91667
29 4OBW SAM 0.01371 0.40126 2.91667
30 1SB8 UD2 0.000000005112 0.66441 3.33333
31 1SB8 NAD 0.000000007975 0.6505 3.33333
32 2Q46 NAP 0.0000001788 0.56415 3.33333
33 1V6A TRE 0.0004395 0.51089 3.33333
34 1A5Z NAD 0.0001954 0.47095 3.33333
35 9LDT NAD 0.0001338 0.45797 3.33333
36 9LDB NAD 0.0001107 0.44753 3.33333
37 1P77 ATR 0.008338 0.43907 3.33333
38 2QRK AMP 0.002837 0.41533 3.33333
39 2CVQ NDP 0.001487 0.41492 3.33333
40 3WCS MAN NAG 0.0324 0.40766 3.33333
41 2OBF SAH 0.006566 0.40386 3.33333
42 2OBF F83 0.006566 0.40386 3.33333
43 5JWC FAD 0.004697 0.40336 3.33333
44 3GXO SAH 0.02102 0.4023 3.33333
45 1N4W FAD 0.008342 0.40153 3.33333
46 1JNR FAD 0.02434 0.40035 3.33333
47 2HMT NAI 0.0008245 0.40552 3.47222
48 1Y1P NMN AMP PO4 0.000001634 0.50407 3.75
49 1UXG NAD 0.00006819 0.47944 3.75
50 4RSL FAD 0.0004423 0.44483 3.75
51 2PV7 NAD 0.0004053 0.43962 3.75
52 1NYT NAP 0.001454 0.42412 3.75
53 5E8J SAH 0.008074 0.42236 3.75
54 1MV8 NAD 0.0007006 0.42083 3.75
55 1E5Q NDP 0.001062 0.42048 3.75
56 5JY6 NAD 0.004593 0.41726 3.75
57 5U5G NAP 0.001387 0.41606 3.75
58 4RDH AMP 0.01197 0.41055 3.75
59 1UXG FUM 0.01831 0.40926 3.75
60 2I3G NAP 0.001374 0.40825 3.75
61 3BPX SAL 0.04497 0.40047 4.05405
62 3WLE NAD 0.001806 0.42082 4.10557
63 2YY7 NAD 0.000000004027 0.63177 4.16667
64 1CER NAD 0.0002948 0.44839 4.16667
65 1MUU NAD 0.0007726 0.43514 4.16667
66 1O6Z NAD 0.0002505 0.42903 4.16667
67 5JE8 NAD 0.001335 0.42561 4.16667
68 4XB2 HSE 0.001335 0.42092 4.16667
69 2VHW NAI 0.001803 0.42084 4.16667
70 4XB2 NDP 0.0004035 0.41866 4.16667
71 3CIF NAD 0.001267 0.41756 4.16667
72 2CDU FAD 0.002863 0.41295 4.16667
73 3GFB NAD 0.002008 0.41269 4.16667
74 2RAB NAD 0.01277 0.4085 4.16667
75 2RAB FAD 0.005907 0.4085 4.16667
76 4KOA NDP 0.01206 0.40701 4.16667
77 3TWO NDP 0.004156 0.40545 4.16667
78 1LLU NAD 0.0007216 0.40483 4.16667
79 3KB6 NAD 0.002589 0.40257 4.16667
80 1Y8Q ATP 0.006164 0.40163 4.16667
81 5U8U FAD 0.01949 0.40006 4.16667
82 5J6Y GLC 0.03836 0.4059 4.25532
83 5J6Y BGC 0.03836 0.4059 4.25532
84 1ORR NAD 0.000000005797 0.63024 4.58333
85 1BXK NAD 0.00000001684 0.60321 4.58333
86 2GZ3 NAP 0.0005545 0.45401 4.58333
87 2P41 SAH 0.004779 0.42193 4.58333
88 3QV1 NAD 0.0008023 0.41327 4.58333
89 1RYI FAD 0.005803 0.40601 4.58333
90 1X7D ORN 0.004641 0.40579 4.58333
91 5HSA FAS 0.00621 0.40483 4.58333
92 1X7D NAD 0.002872 0.40402 4.58333
93 4BWL MN9 0.04151 0.40384 4.58333
94 4E13 NAD 0.0007648 0.40363 4.58333
95 2WPB ZZI 0.03993 0.40278 4.58333
96 4OHU NAD 0.000000003982 0.67315 5
97 4OHU 2TK 0.000000003982 0.67315 5
98 2C5A NAD 0.00000002444 0.4631 5
99 2C5A GDC 0.00000002444 0.4631 5
100 2F1K NAP 0.000517 0.43877 5
101 1OC2 NAD 0.0000003008 0.43076 5
102 1OC2 TDX 0.0000003008 0.43076 5
103 1H82 GZZ 0.007639 0.41544 5
104 1H82 FAD 0.006395 0.41519 5
105 3B1F NAD 0.0005607 0.41145 5
106 1B8U OAA 0.00324 0.40603 5
107 4E5N NAD 0.003215 0.40486 5
108 3H9E NAD 0.003771 0.40474 5
109 1XL8 152 0.04113 0.40283 5
110 1B8U NAD 0.0006512 0.40272 5
111 3I6I NDP 0.0003514 0.40267 5
112 4R1S NAP 0.00000000703 0.63053 5.41667
113 1N7G NDP 0.000001067 0.58449 5.41667
114 1RKX NAD 0.00000001963 0.58396 5.41667
115 1N7G GDR 0.0000008549 0.57624 5.41667
116 5MSO NAP 0.00000004853 0.57524 5.41667
117 4EUE NAI 0.0000007907 0.54556 5.41667
118 1GV0 NAD 0.00007509 0.46598 5.41667
119 1LTH NAD 0.00008535 0.44556 5.41667
120 3CMC NAD 0.002596 0.43795 5.41667
121 1BW9 NAD 0.002296 0.42559 5.41667
122 3V1Y NAD 0.001335 0.42253 5.41667
123 3BAZ NAP 0.00218 0.41706 5.41667
124 5DN9 NAD 0.002725 0.4102 5.41667
125 1C1X NAD 0.002889 0.40931 5.41667
126 2HQM FAD 0.00765 0.40214 5.41667
127 1DSS NAD 0.002038 0.40111 5.41667
128 5JCM NAD 0.02007 0.4001 5.41667
129 5JCM FAD 0.02007 0.4001 5.41667
130 5JCM ISD 0.02135 0.4001 5.41667
131 4U7W NDP 0.00000002685 0.58973 5.83333
132 4ZRN NAD 0.000000004374 0.58185 5.83333
133 1WVG APR 0.0000005872 0.52983 5.83333
134 1RPN NDP 0.0000001688 0.51641 5.83333
135 5JAQ NAI 0.00001225 0.51037 5.83333
136 4ZRN UPG 0.00000003057 0.47564 5.83333
137 2FZW NAD 0.005431 0.40906 5.83333
138 4C3Y FAD 0.005592 0.40666 5.83333
139 4C3Y ANB 0.009021 0.40276 5.83333
140 3A06 FOM 0.005444 0.40197 5.83333
141 2EG5 SAH 0.02523 0.40187 5.83333
142 5CAE SIN 0.004535 0.40161 5.83333
143 3A06 NDP 0.005265 0.40027 5.83333
144 5EZ7 FAD 0.007257 0.40016 5.83333
145 3KO0 TFP 0.01984 0.41406 5.94059
146 1GY8 NAD 0.00000003849 0.59408 6.25
147 4PVD NDP 0.00000009463 0.56318 6.25
148 5KKA 6V0 0.00003595 0.48154 6.25
149 2EXX NAP 0.0001912 0.4564 6.25
150 1SOW NAD 0.0002037 0.45245 6.25
151 4YCA NDP 0.001876 0.41671 6.25
152 1HYH NAD 0.001253 0.40914 6.25
153 2JHF NAD 0.0407 0.40808 6.25
154 3IP8 B85 0.02352 0.40705 6.25
155 2DT5 NAD 0.000627 0.4292 6.63507
156 3LU1 NAD 0.0000000006961 0.64513 6.66667
157 1UWK NAD 0.0004893 0.45328 6.66667
158 2BH9 NAP 0.002828 0.44003 6.66667
159 1HDG NAD 0.001238 0.42693 6.66667
160 4K28 NAD 0.00139 0.4249 6.66667
161 1VKO NAD 0.0004258 0.42172 6.66667
162 5JJR SAH 0.004839 0.42169 6.66667
163 1NVM NAD 0.002068 0.40181 6.66667
164 4QTU SAM 0.01056 0.40028 6.73077
165 3AD8 FAD 0.008693 0.41563 6.89655
166 3AD8 PYC 0.008693 0.41563 6.89655
167 1I2B NAD 0.0000005826 0.582 6.93069
168 1I2B USQ 0.001539 0.47056 6.93069
169 1I2B UPG 0.001539 0.47056 6.93069
170 1GUZ NAD 0.0002048 0.4477 7.08333
171 2WPF FAD 0.01132 0.42267 7.08333
172 2WPF WPF 0.01411 0.41973 7.08333
173 4X9M FAD 0.003185 0.41545 7.08333
174 2DFV NAD 0.001238 0.41448 7.08333
175 1WP4 NDP 0.002096 0.41197 7.08333
176 1J49 NAD 0.00333 0.40157 7.08333
177 2PZM UDP 0.00000184 0.54886 7.5
178 2PZM NAD 0.00000184 0.54886 7.5
179 4PLG NAI 0.0003185 0.45171 7.5
180 1U1I NAD 0.0004141 0.44333 7.5
181 3L4S 3PG 0.001885 0.41642 7.5
182 3L4S NAD 0.001747 0.4164 7.5
183 4J36 1HR 0.005974 0.40739 7.5
184 2E5V FAD 0.006945 0.40653 7.5
185 4TXI FAD 0.003339 0.40552 7.5
186 4J36 FAD 0.003641 0.40531 7.5
187 5LD5 NAD 0.001051 0.40453 7.5
188 2BRY FAD 0.004171 0.40302 7.5
189 1WDK NAD 0.001322 0.40046 7.5
190 1E6E FAD 0.00565 0.40133 7.8125
191 3JV7 NAD 0.00113 0.4152 7.91667
192 1V35 NAI 0.00000003341 0.61568 8.33333
193 1R37 NAD 0.001488 0.42168 8.33333
194 4OPC PGT 0.0331 0.40543 8.33333
195 4OPC FDA 0.02877 0.40543 8.33333
196 3G5S FAD 0.005625 0.40249 8.33333
197 1EK6 NAI 0.00000001276 0.64943 8.75
198 4GLL NAD 0.00000001077 0.61761 8.75
199 1EK6 UPG 0.0000001416 0.6087 8.75
200 2Q1W NAD 0.0000001846 0.54214 8.75
201 3GGO NAI 0.001212 0.43326 8.75
202 3GGO ENO 0.001212 0.43326 8.75
203 3SQP FAD 0.04278 0.41298 8.75
204 1U3U BNF 0.007107 0.40342 8.75
205 1U3U NAD 0.007107 0.40342 8.75
206 2G5C NAD 0.003731 0.40105 8.75
207 3TLJ SAH 0.009092 0.40019 8.75
208 5IN4 6CK 0.000006397 0.59164 9.16667
209 5IN4 NAP 0.000006532 0.59164 9.16667
210 5IN4 GDP 0.000007448 0.5877 9.16667
211 2BKA NDP 0.000001629 0.52762 9.16667
212 3ABI NAD 0.00001001 0.49113 9.16667
213 1T26 NAI 0.0007317 0.44311 9.16667
214 4NEC SAH 0.01198 0.41052 9.16667
215 2GSD NAD 0.003275 0.4095 9.16667
216 2V6G NAP 0.0000005388 0.55003 9.58333
217 4W6Z 8ID 0.001387 0.42532 9.58333
218 3B1J NAD 0.0009287 0.41826 9.58333
219 2A92 NAI 0.001943 0.41461 9.58333
220 5H81 NAP 0.005225 0.41042 9.58333
221 2NAD NAD 0.003584 0.40797 9.58333
222 2C29 NAP 0.0000006184 0.56793 10
223 2C29 DQH 0.000002456 0.54381 10
224 1LDN NAD 0.0003642 0.44125 10
225 2Y6Q FAD 0.002576 0.40988 10
226 2Y6Q I7T 0.006035 0.40988 10
227 1X87 NAD 0.0006963 0.4087 10
228 2NVK FAD 0.005268 0.4077 10
229 4RQU NAD 0.002677 0.40518 10
230 2HJR APR 0.00001988 0.50813 10.4167
231 4XQC 13D 0.001195 0.43659 10.4167
232 4XQC NAD 0.001221 0.4352 10.4167
233 3T31 DCQ 0.004951 0.42057 10.4167
234 3T31 FAD 0.004559 0.42057 10.4167
235 4ZGS NAD 0.000581 0.41562 10.4167
236 4D3F NAP 0.0005877 0.40782 10.4167
237 1GPE FAD 0.007291 0.40567 10.4167
238 1YB5 NAP 0.004307 0.40368 10.4167
239 3L9W AMP 0.003549 0.40321 10.4167
240 3KO8 NAD 0.0000000009186 0.6589 10.8333
241 1KEW TYD 0.0000002032 0.59586 10.8333
242 1KEW NAD 0.000000501 0.58106 10.8333
243 4B1X LAB 0.02292 0.41153 10.8333
244 1J5P NAD 0.002263 0.41068 10.8333
245 4EIP K2C 0.008361 0.40411 10.8333
246 4EIP FAD 0.008361 0.40411 10.8333
247 4YSX FAD 0.007608 0.40129 10.8974
248 2PT9 2MH 0.004645 0.40239 11.25
249 4OOE NDP 0.002695 0.4105 11.6667
250 4J7U NAP 0.0000000002008 0.7065 12.5
251 4J7U YTZ 0.0000000002008 0.7065 12.5
252 1Z6Z NAP 0.000000000116 0.68829 12.5
253 2Q1S NAI 0.0000007606 0.56431 12.9167
254 5L4L NAP 0.000003021 0.50188 12.9167
255 5L4L 7OX 0.00004187 0.48645 12.9167
256 1LDM NAD 0.0002265 0.44119 12.9167
257 1GR0 NAD 0.005033 0.40103 12.9167
258 3A3B RBF 0.03158 0.40427 13.6842
259 5UAV NDP 0.000942 0.43193 13.75
260 5UAV TFB 0.000942 0.43193 13.75
261 1J0X NAD 0.006364 0.40628 13.75
262 2JL1 NAP 0.0003396 0.4172 14.1667
263 5KMS NAD 0.01336 0.40321 14.1667
264 4HXY NDP 0.0000000001216 0.6902 15
265 4D42 W0I 0.00000001213 0.64605 15.4167
266 4D42 NAP 0.00000001213 0.64605 15.4167
267 3OJF IMJ 0.000000006427 0.64432 15.4167
268 3OJF NDP 0.000000006022 0.63389 15.4167
269 3CGB FAD 0.003935 0.40862 15.4167
270 1PZG A3D 0.000415 0.40351 15.8333
271 1H9A NAP 0.004366 0.40344 15.8333
272 3VPH NAD 0.0002645 0.42512 16.25
273 1QG6 TCL 0.0000000226 0.62581 16.6667
274 1QG6 NAD 0.0000000226 0.62581 16.6667
275 5CG1 NAD BBN 0.0000002515 0.60404 16.6667
276 5F5N NAD 0.000002795 0.50776 16.6667
277 4DPL NAP 0.001872 0.4073 17.0833
278 1EQ2 NAP 0.0000007481 0.54255 17.5
279 1Z45 NAD 0.0000000201 0.5914 17.9167
280 1SQF SAM 0.00686 0.41485 17.9167
281 2F5Z FAD 0.004432 0.41263 17.9167
282 2QZZ EMF 0.005272 0.40466 17.9167
283 2QZZ NAP 0.004956 0.40466 17.9167
284 2X6T NAP 0.0000002997 0.55775 18.3333
285 1PL6 572 0.002905 0.40786 18.3333
286 1PL6 NAD 0.0007321 0.40036 18.3333
287 1VL0 NAI 0.00000000491 0.60523 18.75
288 1R6D NAD 0.0000000606 0.62145 19.1667
289 1R6D DAU 0.0000001405 0.60507 19.1667
290 3CGD FAD 0.01906 0.40652 19.1667
291 3CGD COA 0.01906 0.40652 19.1667
292 3CGD NAD 0.01906 0.40652 19.1667
293 1EZ4 NAD 0.0001567 0.44479 19.5833
294 4PIV NDP 0.0000001065 0.57709 22.5
295 4TQG NDP 0.00000001515 0.60496 23.3333
296 3A4V PYR 0.0000000003634 0.60117 24.5833
297 3A4V NAD 0.0000000003634 0.60117 24.5833
298 3NJ4 AFX 0.04933 0.40033 25.4167
299 3RJ5 NAD 0.000000000002599 0.6501 26.25
300 3ORF NAD 0.0000003483 0.55313 26.6667
301 5GT9 NAP 0.0000000001889 0.68285 28.3333
302 3O26 NDP 0.000000000000008549 0.84639 30.4167
303 4O1M NAD 0.00000001384 0.60884 30.4167
304 5L4S NAP 0.0000000000004351 0.80123 31.1321
305 5L4S 6KX 0.0000000000004351 0.80123 31.1321
306 3RFV NAI 0.0000001147 0.56679 31.25
307 3RFV 15L 0.000007648 0.49477 31.25
308 3WMX NAD 0.000000009561 0.62527 32.9167
309 2PK3 A2R 0.00000002663 0.54311 33.3333
310 1NNU NAD 0.03205 0.42273 33.3333
311 1NNU TCT 0.03205 0.42273 33.3333
312 4M38 SAH 0.007777 0.40604 33.3333
313 1N5D NDP 0.0000000000009958 0.77042 35.8333
314 1XSE NDP 0.00000000001267 0.75036 35.8333
315 3CH6 311 0.0000000003676 0.72328 35.8333
316 3CH6 NAP 0.0000000003676 0.72328 35.8333
317 1OAA OAA 0.00000000004411 0.73493 36.25
318 4K26 NDP 0.00000000007667 0.66983 36.25
319 4K26 SFF 0.0000000002186 0.58381 36.25
320 3WXB NDP 0.00000000000008193 0.7757 37.0833
321 1SNY NAP 0.0000000001159 0.67108 37.0833
322 5L53 NAP 0.00000000001612 0.66112 37.5
323 1W73 NAP 0.00000000005871 0.72924 38.0795
324 1W8D NAP 0.00000000003059 0.67433 38.0795
325 1WMA NDP 0.000000000003447 0.77952 38.3333
326 1WMA AB3 0.000000000003447 0.77952 38.3333
327 2JAH NDP 0.00000000000006062 0.81715 38.75
328 4YAG NAI 0.000000000007385 0.76408 39.1667
329 1W6U NAP 0.00000000001854 0.68189 39.404
330 2JAP NDP 0.00000000000004874 0.7836 40
331 3TN7 NJP 0.0000000000001502 0.80199 40.4167
332 2PD4 DCN 0.00000002244 0.61154 41.8182
333 2PD4 NAD 0.00000002486 0.6098 41.8182
334 1FK8 NAD 0.000000000008857 0.75362 43.3333
335 2BD0 NAP 0.00000000000003841 0.77454 44.1667
336 4ITU NAI 0.00000000000002165 0.76819 44.2379
337 4ITU 1HS 0.00000000000009059 0.65278 44.2379
338 2DKN NAI 0.00000000000003719 0.81851 45
339 1A27 NAP 0.000000000007433 0.73395 45
340 3HB5 NAP 0.00000000001519 0.55459 45
341 3H4V DVP 0.000000002225 0.66458 46.25
342 3H4V NAP 0.00000001148 0.63424 46.25
343 3U4C NDP 0.0000000005763 0.65901 46.6667
344 3OIG NAD 0.00000001922 0.59596 47.0833
345 1D7O NAD 0.0000001583 0.51236 47.0833
346 4O0L NDP 0.0000000000002146 0.76154 47.5
347 1XG5 NAP 0.000000000001986 0.72651 47.5
348 1MXH DHF 0.00000001464 0.62462 48.3333
349 1MXH NAP 0.00000002164 0.61791 48.3333
350 3AFN NAP 0.0000000000008318 0.77932 48.75
351 3D3W NAP 0.00000000000115 0.77386 49.1667
352 1GZ6 NAI 0.00000000005556 0.67383 49.1667
353 5K6A NAP 0.0000000006637 0.65931 49.1667
354 2VZ0 NAP 0.00000002945 0.65716 49.1667
355 2VZ0 D64 0.00000002945 0.65716 49.1667
356 4CM9 NAP 0.0000000007742 0.65675 49.1667
357 3BMN NAP 0.0000000009504 0.65335 49.1667
358 3JQ8 NAP 0.000000001136 0.65038 49.1667
359 4CME NAP 0.000000001204 0.64683 49.1667
360 3JQ9 NAP 0.000000002283 0.63879 49.1667
361 3BMQ NAP 0.000000001031 0.63876 49.1667
362 3JQF NAP 0.000000001044 0.63855 49.1667
363 5JDC NAP 0.000000002708 0.63343 49.1667
364 5JCJ NAP 0.000000002794 0.63291 49.1667
365 4CM4 NAP 0.000000002861 0.63252 49.1667
366 4CLO NAP 0.000000001897 0.63232 49.1667
367 4CM8 NAP 0.000000002904 0.63227 49.1667
368 3BMO NAP 0.000000003295 0.63018 49.1667
369 4CLR NAP 0.000000003362 0.62985 49.1667
370 5JDI NAP 0.000000003535 0.62902 49.1667
371 2WD7 NAP 0.000000004438 0.62526 49.1667
372 4CMI NAP 0.000000005321 0.62226 49.1667
373 3JQ7 NAP 0.000000008056 0.62169 49.1667
374 3JQA NAP 0.00000001028 0.61759 49.1667
375 3JQG NAP 0.00000001305 0.61358 49.1667
376 3JQB NAP 0.00000001656 0.60957 49.1667
377 2WYV NAD 0.000001603 0.52989 49.1667
378 5JCJ 6JM 0.01633 0.42357 49.1667
379 3GEG NAD 0.000000000006839 0.72376 49.5833
380 4FC7 NAP 0.00000000003252 0.73824 50
381 4FC7 COA 0.00000000003252 0.73824 50
Pocket No.: 3; Query (leader) PDB : 4NBT; 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: 4nbt.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4NBT; 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: 4nbt.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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