Receptor
PDB id Resolution Class Description Source Keywords
1F8G 2 Å EC: 1.6.1.1 THE X-RAY STRUCTURE OF NICOTINAMIDE NUCLEOTIDE TRANSHYDROGEN RHODOSPIRILLUM RUBRUM COMPLEXED WITH NAD+ RHODOSPIRILLUM RUBRUM NUCLEOTIDE FOLD PROTON PUMP TRANSHYDROGENASE ROSSMANN FOLDOXIDOREDUCTASE
Ref.: PROTEIN-PROTEIN RECOGNITION, HYDRIDE TRANSFER AND P PUMPING IN THE TRANSHYDROGENASE COMPLEX. STRUCTURE FOLD.DES. V. 8 809 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:2500;
B:2501;
C:2502;
D:2503;
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
1F8G 2 Å EC: 1.6.1.1 THE X-RAY STRUCTURE OF NICOTINAMIDE NUCLEOTIDE TRANSHYDROGEN RHODOSPIRILLUM RUBRUM COMPLEXED WITH NAD+ RHODOSPIRILLUM RUBRUM NUCLEOTIDE FOLD PROTON PUMP TRANSHYDROGENASE ROSSMANN FOLDOXIDOREDUCTASE
Ref.: PROTEIN-PROTEIN RECOGNITION, HYDRIDE TRANSFER AND P PUMPING IN THE TRANSHYDROGENASE COMPLEX. STRUCTURE FOLD.DES. V. 8 809 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1F8G - 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 3 families.
1 1F8G - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1F8G - 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 : 1F8G; 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: 1f8g.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1F8G; Ligand: NAD; Similar sites found: 517
This union binding pocket(no: 2) in the query (biounit: 1f8g.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HYH NAD 0.000161 0.4123 0.970874
2 3KLJ FAD 0.0005756 0.45687 1.04167
3 1G0N NDP 0.009528 0.40964 1.06007
4 1G0N PHH 0.01412 0.40494 1.06007
5 5HSA FAS 0.0002011 0.48691 1.30208
6 5EZ7 FAD 0.0002084 0.48383 1.30208
7 4RSL FAD 0.0002444 0.47701 1.30208
8 4BJZ P3A 0.004596 0.44646 1.30208
9 3NDJ SAH 0.007387 0.42196 1.30208
10 3NDJ JHZ 0.007387 0.42196 1.30208
11 4J1Q NDP 0.003559 0.41608 1.30208
12 5T67 JHZ 0.01034 0.41454 1.30208
13 5T67 SAH 0.0156 0.40208 1.30208
14 1KEW NAD 0.01202 0.41557 1.38504
15 1KEW TYD 0.0182 0.40658 1.38504
16 1X7D NAD 0.00005013 0.496 1.42857
17 1X7D ORN 0.0001068 0.49403 1.42857
18 2Z3Y F2N 0.0004112 0.47533 1.5625
19 5I39 FAD 0.0003749 0.4714 1.5625
20 2XVE FAD 0.001002 0.47126 1.5625
21 2XVF FAD 0.0004823 0.46538 1.5625
22 5J60 FAD 0.00068 0.46234 1.5625
23 3CGD COA 0.02554 0.41428 1.5625
24 3CGD FAD 0.02554 0.41428 1.5625
25 3CGD NAD 0.02554 0.41428 1.5625
26 1UAY ADN 0.001134 0.40413 1.65289
27 3CIF NAD 0.001718 0.43093 1.67131
28 3CIF G3H 0.002634 0.43081 1.67131
29 1K3T BRZ 0.007178 0.40957 1.67131
30 1XSE NDP 0.01341 0.40501 1.69492
31 5G3U FDA 0.0002835 0.47673 1.82292
32 1ELI PYC 0.0004262 0.46896 1.82292
33 5G3U ITW 0.001398 0.45262 1.82292
34 5BUK FAD 0.001642 0.44949 1.82292
35 3T31 DCQ 0.00348 0.44403 1.82292
36 3T31 FAD 0.003224 0.44403 1.82292
37 2AQJ FAD 0.006265 0.43368 1.82292
38 2AQJ TRP 0.006306 0.43285 1.82292
39 3ICS FAD 0.003882 0.42681 1.82292
40 3ICT FAD 0.003811 0.42608 1.82292
41 3ICR FAD 0.004199 0.42423 1.82292
42 3ICS ADP 0.0004285 0.40603 1.82292
43 3ICT ADP 0.0006488 0.40086 1.82292
44 1RYI FAD 0.0004512 0.47135 1.83246
45 4TQG NDP 0.001683 0.4313 1.85759
46 2EV9 NAP 0.001223 0.44142 1.90114
47 2EV9 SKM 0.001223 0.44142 1.90114
48 4D3F NAP 0.001244 0.42695 1.93548
49 2Q2V NAD 0.004841 0.41696 1.96078
50 1ORR NAD 0.004482 0.41841 2.01729
51 4JJF N2I 0.002429 0.42595 2.03488
52 4JJF FE9 0.002079 0.42595 2.03488
53 1R6D NAD 0.006606 0.42899 2.07715
54 1R6D DAU 0.01286 0.41498 2.07715
55 2C29 NAP 0.01728 0.40278 2.07715
56 2C29 DQH 0.01728 0.40278 2.07715
57 3OND ADN 0.0001291 0.50213 2.08333
58 2RGJ FAD 0.0001209 0.48608 2.08333
59 4Z24 FAD 0.0002783 0.48178 2.08333
60 3S5W FAD 0.0002345 0.47073 2.08333
61 4HXY NDP 0.004327 0.41656 2.08333
62 1VJT NAD 0.00172 0.41197 2.08333
63 3FWN ATR 0.009759 0.40493 2.08333
64 3BAZ NAP 0.001462 0.40664 2.1021
65 1J0X NAD 0.002236 0.44252 2.10843
66 1HDG NAD 0.001565 0.40495 2.10843
67 1LSS NAD 0.00009069 0.46794 2.14286
68 5LOG SAH 0.001423 0.4144 2.14592
69 1GR0 NAD 0.0002341 0.47512 2.17984
70 1A5Z NAD 0.0000157 0.50502 2.19436
71 1P77 ATR 0.00002229 0.56289 2.20588
72 1TDF FAD 0.003888 0.43454 2.21519
73 2YY7 NAD 0.0006481 0.45185 2.24359
74 1IY8 NAD 0.009576 0.40177 2.24719
75 1BXK NAD 0.003657 0.417 2.25352
76 3HVJ 705 0.01411 0.40111 2.26244
77 1UXG NAD 0.0001955 0.48381 2.26537
78 3GFB NAD 0.0007916 0.40467 2.28571
79 4W6Z 8ID 0.006764 0.41408 2.30548
80 4J4H 1J1 0.0004593 0.47628 2.3166
81 4J4H NAI 0.0004593 0.47628 2.3166
82 4JK3 NAD 0.0001249 0.47573 2.3166
83 1MO9 KPC 0.0008617 0.48578 2.34375
84 1DLJ NAI 0.0003399 0.48511 2.34375
85 1DLJ UGA 0.0003399 0.48511 2.34375
86 1MO9 FAD 0.0009299 0.4836 2.34375
87 2C7G FAD 0.0009004 0.47024 2.34375
88 2C7G ODP 0.0008636 0.47024 2.34375
89 4C3Y FAD 0.0009295 0.45743 2.34375
90 5EOW FAD 0.0006757 0.45519 2.34375
91 1U1I NAD 0.0007446 0.45337 2.34375
92 1P3D UMA 0.0007844 0.44222 2.34375
93 4RPL FAD 0.005003 0.44094 2.34375
94 4C3Y ANB 0.002881 0.4404 2.34375
95 4RPL 3UC 0.009574 0.42963 2.34375
96 1P31 EPU 0.0006327 0.42252 2.34375
97 3SSO SAH 0.002208 0.41224 2.34375
98 5KVS 6XR 0.008471 0.40645 2.34375
99 5J7X FAD 0.01194 0.40532 2.34375
100 5H81 NAP 0.00535 0.40088 2.34375
101 2B9W FAD 0.002076 0.45359 2.35849
102 4EIP K2C 0.0009158 0.4628 2.36794
103 4EIP FAD 0.0009158 0.4628 2.36794
104 2Q1S NAI 0.003052 0.43649 2.38727
105 5UAO FAD 0.003494 0.42882 2.40296
106 3B1F NAD 0.00006556 0.4795 2.41379
107 1A27 NAP 0.003306 0.42024 2.42215
108 4USR FAD 0.0007158 0.45278 2.49307
109 5THQ NDP 0.004851 0.41314 2.57353
110 3VPH OXM 0.0000312 0.51451 2.58065
111 3VPH NAD 0.00003171 0.51114 2.58065
112 5T9E NAP 0.004738 0.40939 2.58303
113 5T9F TYR 0.00959 0.40849 2.58303
114 5T9F NAP 0.01209 0.40303 2.58303
115 4K28 NAD 0.0005048 0.42358 2.60223
116 1GPE FAD 0.0001924 0.49222 2.60417
117 3GDN HBX 0.001007 0.46461 2.60417
118 3GDN FAD 0.0006771 0.46461 2.60417
119 4PIV NDP 0.0006876 0.45075 2.60417
120 4DSG UDP 0.003536 0.4459 2.60417
121 4DSG FAD 0.003536 0.4459 2.60417
122 4D7E FAD 0.002155 0.43578 2.60417
123 3MJE NDP 0.004073 0.41637 2.60417
124 3ETG NDP 0.02519 0.40227 2.60417
125 3ETG GTP 0.01852 0.40227 2.60417
126 3ETG GLU 0.0253 0.40218 2.60417
127 1I2B NAD 0.02683 0.40168 2.60417
128 2YYY NAP 0.004998 0.41124 2.62391
129 5A04 BGC 0.0255 0.40658 2.65487
130 5A04 NDP 0.02175 0.40658 2.65487
131 3CMC NAD 0.01057 0.42699 2.69461
132 1DSS NAD 0.0009042 0.43798 2.7027
133 1V6A TRE 0.0000005185 0.65545 2.71084
134 2VYN NAD 0.002365 0.42504 2.71903
135 1CER NAD 0.001338 0.40214 2.71903
136 1GAD NAD 0.002063 0.42457 2.72727
137 1LDM NAD 0.0001275 0.42095 2.73556
138 3O03 NAP 0.007171 0.40181 2.74914
139 1J5P NAD 0.0005437 0.45054 2.7668
140 1WP4 NDP 0.0009248 0.4408 2.76817
141 4YAG NAI 0.002807 0.43714 2.76817
142 2CVZ NDP 0.001079 0.43641 2.76817
143 3JQ8 NAP 0.004188 0.41586 2.77778
144 3BMN NAP 0.004315 0.4153 2.77778
145 5K6A NAP 0.004361 0.41511 2.77778
146 3JQ9 NAP 0.004373 0.41506 2.77778
147 4CME NAP 0.004295 0.41404 2.77778
148 4CM9 NAP 0.004753 0.41351 2.77778
149 5JDC NAP 0.004504 0.41316 2.77778
150 5JDI NAP 0.004681 0.41245 2.77778
151 4CM8 NAP 0.004974 0.41133 2.77778
152 4CLR NAP 0.005435 0.40969 2.77778
153 3JQ7 NAP 0.005961 0.40661 2.77778
154 4CLO NAP 0.00688 0.40398 2.77778
155 1T26 NAI 0.00002483 0.52845 2.79503
156 2A92 NAI 0.00001089 0.52946 2.80374
157 1LTH NAD 0.00007195 0.48197 2.82132
158 4J36 1HR 0.0001325 0.49726 2.86458
159 4J36 FAD 0.00008251 0.49324 2.86458
160 2RGO FAD 0.0001624 0.48606 2.86458
161 1PN0 FAD 0.0003499 0.4826 2.86458
162 1PN0 IPH 0.0003679 0.4826 2.86458
163 1FEC FAD 0.0004757 0.4756 2.86458
164 1GET NAP 0.001206 0.47253 2.86458
165 1GET FAD 0.001127 0.47253 2.86458
166 3L9W AMP 0.000275 0.46778 2.86458
167 3L9W GSH 0.0002402 0.46716 2.86458
168 5MQ6 NDP 0.001395 0.41908 2.86458
169 5JAQ NAI 0.01338 0.4041 2.86458
170 4FWE FAD 0.0003085 0.48089 2.88945
171 2O4C NAD 0.001052 0.44285 2.89474
172 3AYI FAD 0.005103 0.43335 2.91262
173 3AYI HCI 0.005307 0.43335 2.91262
174 2JHF NAD 0.005673 0.46384 2.94118
175 1U3U NAD 0.001685 0.447 2.94118
176 1U3U BNF 0.001685 0.447 2.94118
177 1ZH8 NAP 0.00224 0.42458 2.94118
178 4XB2 NDP 0.0007165 0.43868 2.98507
179 4XB2 HSE 0.001417 0.43868 2.98507
180 2VZ0 NAP 0.01491 0.42499 2.98507
181 2VZ0 D64 0.01491 0.42499 2.98507
182 2WD7 NAP 0.004405 0.41357 2.98507
183 1DXY NAD 0.0001327 0.47462 3.003
184 4REP FAD 0.0007593 0.4591 3.0303
185 5VKT NAP 0.003538 0.41898 3.03867
186 1ZEM NAD 0.001528 0.43005 3.05344
187 5LD5 NAD 0.001518 0.42519 3.07263
188 1NFQ NAI 0.005563 0.41314 3.07692
189 5JY6 NAD 0.009373 0.41973 3.08989
190 1E7S NAP 0.005474 0.41344 3.11526
191 4RDH AMP 0.00008878 0.49917 3.125
192 5MZI FYK 0.0006416 0.48023 3.125
193 5MZI FAD 0.0006169 0.48023 3.125
194 4YNU FAD 0.0003645 0.47873 3.125
195 4YNU LGC 0.0004478 0.47873 3.125
196 1REO FAD 0.0003394 0.4745 3.125
197 4MIG G3F 0.0006668 0.47092 3.125
198 2RGH FAD 0.0004728 0.46932 3.125
199 4X9M FAD 0.0005784 0.46545 3.125
200 1UWK URO 0.001278 0.45533 3.125
201 1UWK NAD 0.001278 0.45533 3.125
202 2NVK FAD 0.001295 0.45104 3.125
203 4RDI ATP 0.0001344 0.4494 3.125
204 5TUK FAD 0.0009502 0.4403 3.125
205 1EBF NAD 0.002918 0.41511 3.125
206 1D4D FAD 0.000687 0.46539 3.14685
207 1OC2 NAD 0.008256 0.42602 3.16092
208 1OC2 TDX 0.008256 0.42602 3.16092
209 1RP0 AHZ 0.000437 0.46062 3.16901
210 2FZW NAD 0.0005684 0.46906 3.21716
211 2F1K NAP 0.0005382 0.41618 3.22581
212 4MP8 NAD 0.001194 0.44816 3.24484
213 4D79 ATP 0.0002325 0.44041 3.26087
214 1CF2 NAP 0.004589 0.40997 3.2641
215 4KOA NDP 0.002127 0.43208 3.3033
216 1I0Z NAI 0.0001755 0.41668 3.3033
217 5JE8 NAD 0.0001113 0.44829 3.31126
218 1SOW NAD 0.00004552 0.5028 3.35366
219 2R4J 13P 0.0003446 0.48671 3.38542
220 4MOP 2H5 0.0003973 0.4839 3.38542
221 2HQM FAD 0.0004948 0.47067 3.38542
222 2V3A FAD 0.000467 0.46721 3.38542
223 3IHG FAD 0.0002471 0.46663 3.38542
224 3E1T FAD 0.001307 0.45293 3.38542
225 3FG2 FAD 0.002503 0.42933 3.38542
226 2XYQ SAH 0.0009933 0.41533 3.44828
227 3OA2 NAD 0.0006537 0.40523 3.45912
228 1NVM NAD 0.0002004 0.47662 3.47826
229 3GGO NAI 0.0001323 0.49497 3.50318
230 3GGO ENO 0.0001323 0.49497 3.50318
231 5JCA NDP 0.00305 0.44958 3.52113
232 5JCA FAD 0.001501 0.44924 3.52113
233 4E13 NAD 0.0008053 0.4295 3.53357
234 3B20 NAD 0.004264 0.40982 3.53982
235 4ZA2 NAD 0.007093 0.40477 3.55731
236 4GKV NAD 0.00005497 0.50235 3.57143
237 5KVA SAM 0.001305 0.42611 3.59712
238 3NJ4 NAD 0.0003556 0.51905 3.64583
239 3NJ4 AFX 0.0003556 0.51905 3.64583
240 4CNK FAD 0.00006484 0.50485 3.64583
241 5EB4 FAD 0.0004688 0.46948 3.64583
242 4XQC NAD 0.000604 0.46788 3.64583
243 4XQC 13D 0.0006777 0.46669 3.64583
244 2CDU FAD 0.0007231 0.45646 3.64583
245 2CDU ADP 0.0001511 0.44023 3.64583
246 1L3I SAH 0.007128 0.40192 3.64583
247 2HJR APR 0.00002931 0.48514 3.65854
248 5UAV NDP 0.002039 0.43683 3.72671
249 5UAV TFB 0.002039 0.43683 3.72671
250 1CDO NAD 0.0007248 0.44366 3.74332
251 1D1T NAD 0.0003216 0.46634 3.75335
252 1V59 FAD 0.0004619 0.47517 3.76569
253 1V59 NAD 0.00007032 0.43488 3.76569
254 2HNK SAH 0.002243 0.41146 3.76569
255 2DTX BMA 0.003672 0.42893 3.78788
256 4MO2 FDA 0.003342 0.42858 3.80435
257 3CBG SAH 0.001112 0.408 3.87931
258 3KB6 NAD 0.0002522 0.46462 3.89222
259 2E5V FAD 0.0004791 0.47237 3.90625
260 4TXI FAD 0.0002761 0.46919 3.90625
261 5JCM ISD 0.001364 0.46796 3.90625
262 5JCM NAD 0.001364 0.46796 3.90625
263 5JCM FAD 0.001318 0.46796 3.90625
264 2BRY FAD 0.0003325 0.46714 3.90625
265 4AP3 NAP 0.001533 0.46272 3.90625
266 4AP3 FAD 0.001533 0.46272 3.90625
267 1X87 NAD 0.0002997 0.45433 3.90625
268 3Q9T FAY 0.001681 0.44279 3.90625
269 3GMB FAD 0.002115 0.43374 3.90625
270 2WET FAD 0.003721 0.43071 3.90625
271 1R37 NAD 0.003088 0.42661 3.90625
272 1O0S NAI 0.0008933 0.42634 3.90625
273 1U8X NAD 0.0004026 0.4224 3.90625
274 1GY8 NAD 0.007312 0.4068 3.90625
275 2G5C NAD 0.00007624 0.48997 3.91459
276 2GCG NDP 0.002824 0.42176 3.93939
277 2BGM NAJ 0.004927 0.40868 3.95683
278 1YJQ NAP 0.003561 0.42272 3.9604
279 4RW3 DKA 0.0118 0.41194 3.97351
280 4GUS FAD 0.0002713 0.48447 4.03226
281 4GUT FAD 0.0004003 0.47897 4.03226
282 4HSU FAD 0.0003621 0.47886 4.03226
283 3AD8 NAD 0.0002792 0.47181 4.0404
284 3AD8 PYC 0.004508 0.44436 4.0404
285 3AD8 FAD 0.004508 0.44436 4.0404
286 1XHC FAD 0.0003484 0.47029 4.08719
287 5D4V SAH 0.00005471 0.48273 4.10448
288 1UDB NAD 0.01267 0.41452 4.14201
289 1MV8 NAD 0.0001549 0.47181 4.16667
290 4D04 FAD 0.001594 0.46339 4.16667
291 4D04 NAP 0.001594 0.46339 4.16667
292 5U8U FAD 0.001767 0.46272 4.16667
293 4BV6 FAD 0.0008106 0.46007 4.16667
294 4EMI FAD 0.0008965 0.45477 4.16667
295 4EMI NAD 0.002275 0.45477 4.16667
296 3GD4 FAD 0.002097 0.43745 4.16667
297 1MUU NAD 0.0005197 0.42284 4.16667
298 3H4V NAP 0.009814 0.41198 4.16667
299 3GD4 NAD 0.003451 0.41044 4.16667
300 2V3V MGD 0.04118 0.40175 4.16667
301 3H4V DVP 0.01848 0.4006 4.16667
302 4BVA NDP 0.001944 0.43144 4.1791
303 4BVA T3 0.003339 0.42969 4.1791
304 4PLG NAI 0.00001182 0.53584 4.19162
305 4PLG OXM 0.006373 0.44424 4.19162
306 3VYW SAM 0.004736 0.40621 4.22078
307 1U4J MAN 0.02864 0.4072 4.23729
308 3A06 NDP 0.01036 0.4038 4.25532
309 3A06 FOM 0.01161 0.4038 4.25532
310 1YKF NAP 0.008002 0.40385 4.26136
311 4RQU NAD 0.0003971 0.4579 4.26667
312 4NBW NAD 0.003481 0.41649 4.28016
313 4IF4 BEF 0.006041 0.43787 4.32692
314 1MXH NAP 0.004315 0.42479 4.34783
315 1MXH DHF 0.005001 0.42197 4.34783
316 3SJ7 NDP 0.002646 0.42297 4.36508
317 2GZ3 NAP 0.005628 0.42899 4.37158
318 1KYQ NAD 0.0008754 0.41273 4.37956
319 3CTY FAD 0.0004207 0.47595 4.38871
320 3OJO NAD 0.0002103 0.46069 4.40835
321 3A4V PYR 0.004437 0.42208 4.4164
322 3A4V NAD 0.004437 0.42208 4.4164
323 1YKJ FAD 0.0003629 0.49327 4.42708
324 1YKJ PHB 0.0003629 0.49327 4.42708
325 3G5S FAD 0.0002841 0.47544 4.42708
326 1LVL NAD 0.0007429 0.43998 4.42708
327 1WDK NAD 0.002181 0.41869 4.42708
328 3NT6 FAD 0.01146 0.4061 4.42708
329 2CVQ NDP 0.006931 0.4052 4.58716
330 4XUC SAM 0.01099 0.40269 4.58716
331 4XUC 43G 0.01099 0.40269 4.58716
332 3H9E NAD 0.001051 0.43689 4.62428
333 1I8T FAD 0.004856 0.42357 4.63215
334 2B4R AES 0.002197 0.4278 4.63768
335 2B4R NAD 0.003119 0.42265 4.63768
336 1JNR FAD 0.002709 0.45912 4.66667
337 5M67 3D1 0.0002507 0.49013 4.6875
338 5M67 NAD 0.0002579 0.48957 4.6875
339 5M67 ADE 0.0002602 0.4894 4.6875
340 3QVP FAD 0.0003619 0.4778 4.6875
341 1H82 GZZ 0.001466 0.46435 4.6875
342 1H82 FAD 0.00121 0.46435 4.6875
343 3WE0 FAD 0.001136 0.45565 4.6875
344 3NTD FAD 0.005566 0.41992 4.6875
345 4JNA FAD 0.0006066 0.46674 4.70588
346 4L8V NAP 0.0007727 0.44714 4.74777
347 2GAG NAD 0.0003622 0.47083 4.7619
348 2GAG FOA 0.002746 0.44043 4.7619
349 2GAG FAD 0.002746 0.44043 4.7619
350 3L4S 3PG 0.003256 0.4244 4.7619
351 3L4S NAD 0.003045 0.4244 4.7619
352 1KOL NAD 0.001049 0.44942 4.77387
353 3H8V ATP 0.00009741 0.45494 4.79452
354 5KKA 6V0 0.00008145 0.49195 4.80769
355 5E8J SAH 0.01221 0.40506 4.80769
356 1PZG A3D 0.00001999 0.41111 4.83384
357 2PZM UDP 0.001617 0.4488 4.84848
358 2PZM NAD 0.001617 0.4488 4.84848
359 1H5Q NAP 0.008598 0.40378 4.90566
360 1QO8 FAD 0.0002753 0.48199 4.94792
361 2YVF FAD 0.002253 0.45497 4.94792
362 2YVF NAD 0.002335 0.45497 4.94792
363 2YVJ FAD 0.0009864 0.45178 4.94792
364 2YVJ NAI 0.0009597 0.41767 4.94792
365 2CJU PHX 0.01575 0.41321 4.95868
366 1OMO NAD 0.00001734 0.50765 4.96894
367 1EJ0 SAM 0.001515 0.40908 5
368 3WV8 ATP 0.0008463 0.42404 5.04587
369 1BW9 NAD 0.0003127 0.45162 5.05618
370 1BXG NAD 0.0005808 0.4477 5.05618
371 1C1X NAD 0.0002822 0.42542 5.07042
372 3GRU AMP 0.00421 0.40686 5.08475
373 5O4J SAH 0.0002219 0.47613 5.10949
374 5O4J 9KH 0.0002219 0.47613 5.10949
375 5O4J PJL 0.0002987 0.46915 5.10949
376 5N53 8NB 0.002878 0.45634 5.12821
377 1AE1 NAP 0.004946 0.41656 5.12821
378 1GV0 NAD 0.0001464 0.47791 5.16129
379 3WGT FAD 0.0003259 0.48399 5.18732
380 3WGT QSC 0.0003426 0.48399 5.18732
381 1RSG FAD 0.0002386 0.48476 5.20833
382 1YY5 FAD 0.000358 0.47908 5.20833
383 5KMS NAD 0.002506 0.45136 5.20833
384 3RNM FAD 0.001471 0.45063 5.20833
385 1UP7 NAD 0.0006801 0.44315 5.20833
386 2Y6Q I7T 0.002623 0.44223 5.20833
387 2Y6Q FAD 0.001171 0.44223 5.20833
388 5KMS FAD 0.001703 0.44024 5.20833
389 1ZMD NAI 0.0006677 0.41896 5.20833
390 4NTD FAD 0.0001647 0.48708 5.29412
391 4D42 NAP 0.009599 0.41926 5.31915
392 4D42 W0I 0.009599 0.41926 5.31915
393 2AG8 NAP 0.002216 0.41217 5.32319
394 3V1Y NAD 0.001497 0.40106 5.34125
395 1EZ4 NAD 0.00009902 0.47997 5.34591
396 3Q3C NAD 0.003117 0.41392 5.35117
397 1LDN NAD 0.000158 0.47806 5.37975
398 2AE2 NAP 0.006437 0.41916 5.38462
399 2AE2 PTO 0.006437 0.41916 5.38462
400 5U5G NAP 0.001856 0.4295 5.42373
401 1E6E FAD 0.0002055 0.48029 5.46875
402 5TTJ FAD 0.0007898 0.45834 5.46875
403 1PJS NAD 0.001032 0.41198 5.46875
404 5ITV NAI 0.004214 0.41706 5.4902
405 1P1C SAH 0.0007088 0.43888 5.52764
406 3ORF NAD 0.006467 0.40648 5.57769
407 2CUL FAD 0.0007893 0.45356 5.60345
408 4EMJ FAD 0.0009964 0.4539 5.60748
409 2DBZ NAP 0.001072 0.43962 5.68862
410 1EDO NAP 0.004223 0.41829 5.7377
411 1HYE NAP 0.003332 0.41107 5.7508
412 4NTC FAD 0.000542 0.46782 5.97015
413 1V8B NAD 0.000243 0.47712 5.98958
414 3QV1 NAD 0.003601 0.41289 6.09756
415 4J56 FAD 0.0007965 0.46355 6.14035
416 1PR9 NAP 0.002701 0.4279 6.14754
417 3D3W NAP 0.004332 0.41905 6.14754
418 1PL6 572 0.0002056 0.47468 6.17978
419 1PL6 NAD 0.00007507 0.47115 6.17978
420 3OID NDP 0.004354 0.41895 6.20155
421 1VQW FAD 0.0003529 0.46602 6.25
422 2GVC FAD 0.0004775 0.46037 6.25
423 2GSD NAD 0.001528 0.44109 6.25
424 2NAD NAD 0.001537 0.44098 6.25
425 1SB8 NAD 0.01108 0.41484 6.25
426 1SB8 UD2 0.01296 0.41484 6.25
427 3LZW NAP 0.0003398 0.49136 6.3253
428 3LZW FAD 0.0003309 0.47378 6.3253
429 1FL2 FAD 0.001356 0.44801 6.45161
430 4ZGS NAD 0.0001336 0.47079 6.51042
431 5MBX FAD 0.001043 0.4665 6.51042
432 5MBX SP5 0.001043 0.4665 6.51042
433 4AT0 FAD 0.001103 0.46011 6.51042
434 1OBB NAD 0.000714 0.4236 6.51042
435 3AXB FAD 0.00005679 0.40096 6.51042
436 3LAD FAD 0.0007502 0.46263 6.77083
437 5ODQ FAD 0.001204 0.4535 6.77083
438 2HK9 NAP 0.001321 0.43272 6.90909
439 2HK9 ATR 0.0002333 0.41168 6.90909
440 1P0F NAP 0.002877 0.42546 6.97051
441 2VT3 ATP 0.0000002767 0.51129 6.97674
442 1N4W FAD 0.001163 0.4552 7.03125
443 3CGB FAD 0.009329 0.40902 7.03125
444 2V6G NAP 0.00522 0.41307 7.14286
445 2DC1 NAD 0.0004111 0.45566 7.20339
446 5GT9 NAP 0.005617 0.41171 7.22433
447 3DAG FEG 0.005205 0.40619 7.26257
448 2JAH NDP 0.007037 0.40751 7.28745
449 3UCL FAD 0.001058 0.47311 7.29167
450 3UCL CYH 0.001058 0.47311 7.29167
451 3UCL NAP 0.001172 0.47311 7.29167
452 3QWI NAP 0.01001 0.40331 7.40741
453 1EK6 UPG 0.01806 0.41033 7.47126
454 1EK6 NAI 0.02117 0.40575 7.47126
455 1RQL VSO 0.02141 0.4008 7.49064
456 2DFV NAD 0.0007874 0.44375 7.4928
457 9LDB NAD 0.00003151 0.508 7.53012
458 9LDT NAD 0.00003265 0.50735 7.53012
459 5FJN BE2 0.00058 0.47073 7.55208
460 5FJN FAD 0.0004933 0.47073 7.55208
461 5BVA FAD 0.00104 0.45836 7.55208
462 4II2 ATP 0.0001921 0.45515 7.55208
463 2DT5 NAD 0.00007339 0.43365 7.58294
464 4YRY NAD 0.001447 0.45915 7.6087
465 4YRY FAD 0.000985 0.45737 7.6087
466 5DN9 NAD 0.0004671 0.46078 7.69231
467 1VDC FAD 0.01189 0.41344 7.80781
468 4E5N NAD 0.000349 0.46335 7.87879
469 4USQ FAD 0.0004903 0.46122 8.03324
470 4ZCC FAD 0.0005648 0.47603 8.03571
471 4ZCC NAI 0.0005648 0.47603 8.03571
472 3WQQ IB3 0.00868 0.41435 8.07292
473 4KP7 1UQ 0.01583 0.40449 8.07292
474 3ZV6 4HB 0.01714 0.40207 8.18505
475 3ZV6 NAD 0.01637 0.40207 8.18505
476 2VVM FAD 0.0004876 0.46873 8.33333
477 1Y8Q ATP 0.0001507 0.45027 8.3815
478 3TN7 NJP 0.008785 0.40337 8.56031
479 5JWC FAD 0.001363 0.44325 8.59375
480 1DJN ADP 0.0001332 0.46889 8.85417
481 1O94 ADP 0.0001756 0.44661 8.85417
482 3GEG NAD 0.001165 0.43657 8.90688
483 2V3B FAD 0.0006383 0.46006 9.09091
484 2WPF FAD 0.001102 0.48672 9.11458
485 2WPF WPF 0.001408 0.48305 9.11458
486 5BR7 FLC 0.003753 0.4454 9.11458
487 5BR7 FAD 0.003753 0.4454 9.11458
488 2CDC XYP 0.02134 0.41204 9.56284
489 2CDC XYS 0.03747 0.40046 9.56284
490 2CDC NAP 0.03747 0.40046 9.56284
491 1PS9 FAD 0.00146 0.44874 9.63542
492 1PS9 NAP 0.001608 0.42912 9.63542
493 1GUZ NAD 0.0001375 0.47742 9.67742
494 5X20 NAD 0.004232 0.40995 9.9359
495 4CJX NAP 0.004877 0.40737 10.0313
496 4M52 FAD 0.0009779 0.45751 10.1562
497 1ZBQ NAD 0.001706 0.43522 10.3976
498 1KNR FAD 0.0003382 0.47575 10.4167
499 4TM3 FAD 0.002502 0.45765 10.6771
500 2F5Z FAD 0.001043 0.45731 10.9375
501 2HMT NAI 0.0003097 0.45179 11.1111
502 4YSX FAD 0.0004612 0.46979 11.5385
503 3UOY NAP 0.002277 0.45891 11.7188
504 3UOY FAD 0.002277 0.45891 11.7188
505 1F8F NAD 0.0001719 0.46811 11.8598
506 1SC6 NAD 0.0003585 0.46431 12.7604
507 4UP3 FAD 0.008212 0.41447 13.0573
508 2DKH 3HB 0.0001336 0.49233 13.5417
509 2DKH FAD 0.0001037 0.48896 13.5417
510 3ESS 18N 0.02019 0.40927 14.7826
511 3WLE NAD 0.0005689 0.46101 15.2493
512 1J49 NAD 0.0001518 0.47561 17.1171
513 1ZK4 NAP 0.00685 0.41384 17.1315
514 4Q3F TLA 0.04443 0.40259 19.6581
515 5L95 AMP 0.00008174 0.4638 22.5
516 2VHW NAI 0.00002669 0.51893 37.6658
517 1SAY PYR 0.000216 0.47663 47.3684
Pocket No.: 3; Query (leader) PDB : 1F8G; 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: 1f8g.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1F8G; Ligand: NAD; Similar sites found: 46
This union binding pocket(no: 4) in the query (biounit: 1f8g.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MDH NAD 0.003632 0.41572 1.8018
2 2FN1 PYR 0.01728 0.41453 1.82292
3 2Q1W NAD 0.0002605 0.40534 2.1021
4 1TDF NAP 0.007569 0.43622 2.21519
5 4O1M NAD 0.009616 0.40044 2.22222
6 1GQ2 NAP 0.001076 0.40041 2.34375
7 4Q9N NAI 0.008874 0.40319 2.34899
8 4PIO SAH 0.01097 0.40272 2.47678
9 4K6B GLU 0.016 0.41556 2.48447
10 5CAE SIN 0.007719 0.4082 2.55591
11 5CAE COA 0.004276 0.4082 2.55591
12 1Q9I TEO 0.001006 0.46885 2.60417
13 4EUE NAI 0.008467 0.40528 2.60417
14 3RJ5 NAD 0.01538 0.40046 2.75591
15 3F8D FAD 0.004544 0.4467 3.09598
16 1E1M FAD 0.0004413 0.48271 3.125
17 3LXD FAD 0.0004427 0.46447 3.125
18 2D2I NAP 0.006472 0.4007 3.15789
19 2Q46 NAP 0.00788 0.40283 3.16206
20 5AYV KPL 0.0103 0.40501 3.23625
21 2RAB FAD 0.0004112 0.47639 3.38542
22 2RAB NAD 0.0009322 0.47639 3.38542
23 3RFV 15L 0.006441 0.40377 3.74532
24 3RFV NAI 0.007665 0.40199 3.74532
25 4K91 SIN 0.03061 0.4052 3.75723
26 2WSB NAD 0.01558 0.40211 3.93701
27 3ITJ FAD 0.02259 0.40077 4.14201
28 2QA1 FAD 0.00009848 0.4063 4.16667
29 4XYM COA 0.0167 0.40168 4.16667
30 3KO8 NAD 0.01106 0.40028 4.16667
31 1VL0 NAI 0.00642 0.40237 4.6875
32 5VN0 NAI 0.001396 0.40139 5.20833
33 1RM4 NDP 0.00782 0.40022 5.20833
34 2BD0 NAP 0.00885 0.40445 5.7377
35 1U7T TDT 0.01647 0.40195 5.74713
36 1YQZ FAD 0.005357 0.43683 6.25
37 3TWO NDP 0.002362 0.43287 6.32184
38 3ZNN FAD 0.0008509 0.47219 6.62824
39 3ZNN 4WL 0.0008509 0.47219 6.62824
40 4KP7 NAP 0.01057 0.41577 8.07292
41 2NU8 COA 0.006526 0.40354 8.33333
42 1BZL FAD 0.0008534 0.49263 8.59375
43 4OSP NAP 0.007737 0.40317 10.2662
44 2GDZ NAD 0.006295 0.4083 10.8614
45 1O6Z NAD 0.002328 0.41919 10.8911
46 3SQP FAD 0.004793 0.47435 11.1979
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