-->
Receptor
PDB id Resolution Class Description Source Keywords
1B8V 2.1 Å EC: 1.-.-.- MALATE DEHYDROGENASE FROM AQUASPIRILLUM ARCTICUM AQUASPIRILLUM ARCTICUM DEHYDROGENASE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR COLD ADAPTATION. SEQUENCE, BIO PROPERTIES, AND CRYSTAL STRUCTURE OF MALATE DEHYDRO FROM A PSYCHROPHILE AQUASPIRILLIUM ARCTICUM. J.BIOL.CHEM. V. 274 11761 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:334;
Valid;
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
1B8U 2.5 Å EC: 1.-.-.- MALATE DEHYDROGENASE FROM AQUASPIRILLUM ARCTICUM AQUASPIRILLUM ARCTICUM DEHYDROGENASE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR COLD ADAPTATION. SEQUENCE, BIO PROPERTIES, AND CRYSTAL STRUCTURE OF MALATE DEHYDRO FROM A PSYCHROPHILE AQUASPIRILLIUM ARCTICUM. J.BIOL.CHEM. V. 274 11761 1999
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1B8V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1B8U - OAA C4 H3 O5 C(C(=O)C(=....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1B8V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1B8U - OAA C4 H3 O5 C(C(=O)C(=....
3 1BDM - NAX C21 H31 N7 O15 P2 c1nc(c2c(n....
4 1Y7T - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 1WZE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1WZI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2CVQ Ki = 2.6 mM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5NUF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1B8V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1B8U - OAA C4 H3 O5 C(C(=O)C(=....
4 5MDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5A1T - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
6 4UUN - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
7 1BDM - NAX C21 H31 N7 O15 P2 c1nc(c2c(n....
8 1Y7T - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 1WZE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1WZI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 2CVQ Ki = 2.6 mM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 1BMD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1B8U; Ligand: NAD; Similar sites found with APoc: 817
This union binding pocket(no: 1) in the query (biounit: 1b8u.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1C0I FAD 0.911854
2 1C0I BE2 0.911854
3 3WLE NAD 1.21581
4 5U8U FAD 1.21581
5 4IV9 FAD 1.21581
6 1RYI GOA 1.21581
7 1H5Q NAP 1.21581
8 1RYI FAD 1.21581
9 1PR9 NAP 1.22951
10 3D3W NAP 1.22951
11 4RDH AMP 1.38889
12 4RDI ATP 1.38889
13 3EGI ADP 1.45631
14 2QRK AMP 1.51976
15 1F8G NAD 1.51976
16 3LAD FAD 1.51976
17 2VAR KDG 1.59744
18 2VAR KDF 1.59744
19 3O26 NDP 1.60772
20 4GN8 ASO 1.67224
21 3H8V ATP 1.71233
22 2AOT SAH 1.71233
23 1LUA NAP 1.74216
24 1V8B NAD 1.82371
25 4XQC NAD 1.82371
26 4XQC 13D 1.82371
27 1O0S NAI 1.82371
28 1D1T NAD 1.82371
29 5JY6 NAD 1.82371
30 1DSS NAD 1.82371
31 5EZ7 FAD 1.82371
32 2DM6 NAP 1.82371
33 5LD5 NAD 1.82371
34 3AY6 NAI 1.82371
35 2ZXI FAD 1.82371
36 3E1T FAD 1.82371
37 3QVP FAD 1.82371
38 2DM6 IMN 1.82371
39 1D4D FAD 1.82371
40 1RSG FAD 1.82371
41 1YY5 FAD 1.82371
42 3AY6 BGC 1.82371
43 1YQZ FAD 1.82371
44 4EUE NAI 1.82371
45 1Q1R FAD 1.82371
46 1OMO NAD 1.86335
47 1I36 NAP 1.89394
48 1NFQ NAI 1.92308
49 5EJ2 NAD 1.94805
50 3RJ5 NAD 1.9685
51 2O07 SPD 1.97368
52 2O07 MTA 1.97368
53 1ZK4 NAP 1.99203
54 1ZK4 AC0 1.99203
55 3GF4 UPG 2.05128
56 3GF4 FAD 2.05128
57 3B1F NAD 2.06897
58 1WP4 NDP 2.07612
59 2CVZ NDP 2.07612
60 5KVS 6XR 2.07792
61 5KVS NAP 2.07792
62 1KOL NAD 2.12766
63 1YQD NAP 2.12766
64 1DLJ NAI 2.12766
65 5H81 NAP 2.12766
66 3OJO NAD 2.12766
67 2C5A GDC 2.12766
68 2C5A NAD 2.12766
69 1RKX NAD 2.12766
70 1U8X NAD 2.12766
71 1DLJ UGA 2.12766
72 1OAA OAA 2.12766
73 5EB4 FAD 2.12766
74 4Z0H NAD 2.12766
75 4J7U YTZ 2.12766
76 2X6T NAP 2.12766
77 2C49 ADN 2.12766
78 4J7U NAP 2.12766
79 5G3U FDA 2.12766
80 5G3U ITW 2.12766
81 1K3T BRZ 2.12766
82 1GPE FAD 2.12766
83 1Z6Z NAP 2.12766
84 3UCL NAP 2.12766
85 3UCL CYH 2.12766
86 3UCL FAD 2.12766
87 2R4J 13P 2.12766
88 2R4J FAD 2.12766
89 4M52 M52 2.12766
90 4M52 FAD 2.12766
91 1Y1P NMN AMP PO4 2.12766
92 2A8X FAD 2.12766
93 3WXB NDP 2.12766
94 4REP FAD 2.12766
95 4NTC FAD 2.12766
96 6BWL NAD 2.13415
97 1F06 2NP 2.1875
98 1F06 NDP 2.1875
99 5O4J SAH 2.18978
100 5O4J PJL 2.18978
101 5O4J 9KH 2.18978
102 1DRV A3D 2.1978
103 5TC4 NAD 2.21519
104 3QWI CUE 2.22222
105 3QWI NAP 2.22222
106 4UP3 NDP 2.2293
107 2YY7 NAD 2.24359
108 2GDZ NAD 2.24719
109 5B4T NAD 2.30769
110 5B4T 3HR 2.30769
111 3OID NDP 2.32558
112 2PV7 NAD 2.34899
113 2DKN NAI 2.35294
114 1GZ4 ATP 2.43161
115 5TOW ADN 2.43161
116 5TOW NAI 2.43161
117 4MP8 NAD 2.43161
118 4MP8 MLI 2.43161
119 1KEV NDP 2.43161
120 5J5Z FAD 2.43161
121 1Q0H FOM 2.43161
122 1Q0H NDP 2.43161
123 5UR0 NAD 2.43161
124 5CAE SIN 2.43161
125 5CAE COA 2.43161
126 5MLR NAP 2.43161
127 5MLR GRQ 2.43161
128 2VT3 ATP 2.43161
129 2NPX NAD 2.43161
130 1HDG NAD 2.43161
131 3B1J NAD 2.43161
132 1BZL FAD 2.43161
133 1BZL GCG 2.43161
134 3ZNN FAD 2.43161
135 3ZNN 4WL 2.43161
136 1VJT NAD 2.43161
137 5KOX FAD 2.43161
138 5KOX RFP 2.43161
139 3G5S FAD 2.43161
140 2E5V FAD 2.43161
141 1ZH8 NAP 2.43161
142 1CF2 NAP 2.43161
143 2D2I NAP 2.43161
144 3B20 NAD 2.43161
145 5C9P FUC 2.43161
146 3NTD FAD 2.43161
147 6FP4 E1T 2.43161
148 3NTA FAD 2.43161
149 3V1Y NAD 2.43161
150 6FP4 FAD 2.43161
151 2NPX FAD 2.43161
152 3NT6 FAD 2.43161
153 4JBI NDP 2.43161
154 2YYY NAP 2.43161
155 4PVD NDP 2.43161
156 4EMI NAD 2.43902
157 5L53 NAP 2.46914
158 5O42 9JW 2.55474
159 5O42 NAD 2.55474
160 5O42 BGC 2.55474
161 1P77 ATR 2.57353
162 4B4U NAP 2.64026
163 1XHL NDP 2.6936
164 2DBZ NAP 2.69461
165 3A1S GDP 2.71318
166 2VHW NAI 2.73556
167 3TWO NDP 2.73556
168 1X7D ORN 2.73556
169 1X7D NAD 2.73556
170 2O4C NAD 2.73556
171 1CDO NAD 2.73556
172 1C1X NAD 2.73556
173 1BXG NAD 2.73556
174 1UP7 NAD 2.73556
175 3KB6 NAD 2.73556
176 4OOE FOM 2.73556
177 4OOE NDP 2.73556
178 1BW9 NAD 2.73556
179 3BAZ NAP 2.73556
180 5X68 FAD 2.73556
181 5OC1 FAD 2.73556
182 2ZB4 NAP 2.73556
183 1COY FAD 2.73556
184 1COY AND 2.73556
185 2ZB4 5OP 2.73556
186 2C7G FAD 2.73556
187 2C7G ODP 2.73556
188 5BVA FAD 2.73556
189 5KMS NAD 2.73556
190 4W6Z 8ID 2.73556
191 1FEC FAD 2.73556
192 3WGT QSC 2.73556
193 3WGT FAD 2.73556
194 5DOZ NDP 2.73556
195 3KLJ FAD 2.73556
196 4EDF UPG 2.73556
197 3SSO SAH 2.73556
198 1ORR NAD 2.73556
199 5MBX FAD 2.73556
200 5MBX SP5 2.73556
201 3I6I NDP 2.73556
202 5KMS FAD 2.73556
203 1P31 EPU 2.73556
204 3QWB NDP 2.73556
205 1P3D UMA 2.73556
206 4KOA NDP 2.73556
207 2Q2V NAD 2.7451
208 3JQF NAP 2.77778
209 3JQG NAP 2.77778
210 4U7W NDP 2.85714
211 1HDR NAD 2.86885
212 4ZRN UPG 2.88462
213 4ZRN NAD 2.88462
214 6EL3 NAP 2.88714
215 5BSH PRO 2.88809
216 2DC1 NAD 2.9661
217 5N6C NAD 3
218 1GAD NAD 3.0303
219 1LLU NAD 3.03951
220 1HKU NAD 3.03951
221 1RJW ETF 3.03951
222 3GFB NAD 3.03951
223 3OA2 NAD 3.03951
224 2WPF WPF 3.03951
225 2WPF FAD 3.03951
226 2B4R NAD 3.03951
227 4MOP 2H5 3.03951
228 2B4R AES 3.03951
229 4MO2 FAD 3.03951
230 3WQQ IB3 3.03951
231 3WQQ NDP 3.03951
232 4MO2 FDA 3.03951
233 3AB1 FAD 3.03951
234 3SQP FAD 3.03951
235 6GAS FAD 3.03951
236 4KP7 NAP 3.03951
237 4KP7 1UQ 3.03951
238 5ZEC NAP 3.03951
239 3HB5 NAP 3.03951
240 2IID FAD 3.03951
241 2IID PHE 3.03951
242 5BUK FAD 3.03951
243 4A0S NAP 3.03951
244 1KNR FAD 3.03951
245 4BJZ FAD 3.03951
246 4BJZ P3A 3.03951
247 2GLX NDP 3.03951
248 4USQ FAD 3.03951
249 4AT0 FAD 3.03951
250 3X01 AMP 3.03951
251 4YCA NDP 3.06122
252 1VM6 NAD 3.07018
253 6CI9 NAP 3.0888
254 3O03 NAP 3.09278
255 3F8D FAD 3.09598
256 2CHT TSA 3.14961
257 5TQZ GLC 3.33333
258 1VI2 NAD 3.33333
259 2JHF NAD 3.34347
260 2GZ3 NAP 3.34347
261 1J49 NAD 3.34347
262 4GLL NAD 3.34347
263 4RQU NAD 3.34347
264 6A0S NDP 3.34347
265 6A0S HSE 3.34347
266 4L8V NAP 3.34347
267 5Y77 FAD 3.34347
268 1G0N NDP 3.34347
269 1G0N PHH 3.34347
270 4AP3 NAP 3.34347
271 4AP3 FAD 3.34347
272 2VVM FAD 3.34347
273 1LVL NAD 3.34347
274 1LVL FAD 3.34347
275 4HA6 FAD 3.34347
276 4TM3 FAD 3.34347
277 1PS9 FAD 3.34347
278 3HDY FAD 3.34347
279 3HDY GDU 3.34347
280 3HDY FDA 3.34347
281 2IXB NAD 3.34347
282 2IXB A2G 3.34347
283 6F97 FAD 3.34347
284 5MW4 5JU 3.34347
285 1PS9 NAP 3.34347
286 1Y8Q ATP 3.34347
287 1RPN NDP 3.34347
288 2B5W NAP 3.36134
289 5GZ6 NDP 3.37423
290 5GZ6 7C3 3.37423
291 1NPD NAD 3.47222
292 3AFN NAP 3.48837
293 3KO8 NAD 3.52564
294 3SJ7 NDP 3.57143
295 2F1K NAP 3.58423
296 5O9F NAD 3.64742
297 5O9F 9ON 3.64742
298 1U3U BNF 3.64742
299 1U3U NAD 3.64742
300 2PZM UDP 3.64742
301 2PZM NAD 3.64742
302 5Z20 NAI 3.64742
303 1UDB NAD 3.64742
304 1UDB UFG 3.64742
305 1SAY PYR 3.64742
306 2GN4 UD1 3.64742
307 2GN4 NDP 3.64742
308 3ETG GLU 3.64742
309 3ETG GTP 3.64742
310 1F8F NAD 3.64742
311 2C29 NAP 3.64742
312 2C29 DQH 3.64742
313 5MZI FAD 3.64742
314 5MZI FYK 3.64742
315 2BRY FAD 3.64742
316 3L4S 3PG 3.64742
317 4TXI FAD 3.64742
318 5I39 FAD 3.64742
319 5FJN FAD 3.64742
320 5FJN BE2 3.64742
321 5EOW FAD 3.64742
322 1E5Q NDP 3.64742
323 4DPL NAP 3.64742
324 5TUK FAD 3.64742
325 1DJN ADP 3.64742
326 5BRT FAD 3.64742
327 5BRT CH9 3.64742
328 2VTD LKM 3.64742
329 1RM4 NDP 3.64742
330 3X0V FAD 3.64742
331 3K7M FAD 3.64742
332 1PGP 6PG 3.64742
333 2NVK FAD 3.64742
334 3L9W GSH 3.64742
335 4JJF FE9 3.64742
336 4JJF N2I 3.64742
337 3L4S NAD 3.64742
338 3L9W AMP 3.64742
339 3ETG NDP 3.64742
340 3FWN ATR 3.64742
341 1AE1 NAP 3.663
342 5T9F TYR 3.69004
343 5T9E NAP 3.69004
344 5T9F NAP 3.69004
345 1Z6K OAA 3.75427
346 2EV9 SKM 3.80228
347 2EV9 NAP 3.80228
348 3H4V DVP 3.81944
349 3H4V NAP 3.81944
350 2RI1 GLP 3.82979
351 1EQ2 NAP 3.87097
352 1RP0 AHZ 3.87324
353 4D42 NAP 3.90071
354 4D42 W0I 3.90071
355 3WBF NAP 3.93443
356 3WBF API 3.93443
357 2Q1W NAD 3.95137
358 5M67 ADE 3.95137
359 5M67 NAD 3.95137
360 6F3N ADN 3.95137
361 6F3N NAD 3.95137
362 6F3M NAD 3.95137
363 5M67 3D1 3.95137
364 2NAD NAD 3.95137
365 5DF1 NAP 3.95137
366 5DF1 58X 3.95137
367 4BVA NDP 3.95137
368 1WDK NAD 3.95137
369 4IDC NDP 3.95137
370 4IDC 1XX 3.95137
371 2VYN NAD 3.95137
372 1REO FAD 3.95137
373 6BII NAP 3.95137
374 1PN0 FAD 3.95137
375 1PN0 IPH 3.95137
376 5A04 NDP 3.95137
377 3LU1 NAD 3.95137
378 5A04 BGC 3.95137
379 1MO9 KPC 3.95137
380 1MO9 FAD 3.95137
381 2IVD FAD 3.95137
382 4BVA T3 3.95137
383 3NGL NAP 3.98551
384 5OFW 9TW 4.03587
385 3A4V NAD 4.10095
386 3A4V PYR 4.10095
387 5D4V SAH 4.10448
388 2ZAT NAP 4.23077
389 1DIG NAP 4.24837
390 1DIG L37 4.24837
391 1I2B USQ 4.25532
392 1I2B NAD 4.25532
393 1I2B UPG 4.25532
394 2CDC XYP 4.25532
395 2CDC XYS 4.25532
396 3NJ4 NAD 4.25532
397 5FI3 NAP 4.25532
398 6F9Q NAD 4.25532
399 3NJ4 AFX 4.25532
400 2FR1 NDP 4.25532
401 1EK6 UPG 4.25532
402 1EK6 NAI 4.25532
403 5VKT NAP 4.25532
404 1N7G NDP 4.25532
405 1N7G GDR 4.25532
406 1R37 NAD 4.25532
407 2YVF FAD 4.25532
408 2YVF NAD 4.25532
409 4D04 FAD 4.25532
410 4D04 NAP 4.25532
411 1H82 GZZ 4.25532
412 1H82 FAD 4.25532
413 4PIV NDP 4.25532
414 3NYC FAD 4.25532
415 3NYC IAR 4.25532
416 3A06 NDP 4.25532
417 3A06 FOM 4.25532
418 2YVJ NAI 4.25532
419 3S5W FAD 4.25532
420 2CDC NAP 4.25532
421 2YVJ FAD 4.25532
422 1PJS NAD 4.25532
423 3S5W NAP 4.25532
424 2HK9 ATR 4.36364
425 2HK9 NAP 4.36364
426 3ORF NAD 4.38247
427 2CFC NAD 4.4
428 5L4S 6KX 4.40252
429 5L4S NAP 4.40252
430 3GD8 GOL 4.4843
431 1YKF NAP 4.54545
432 5IN4 GDP 4.55927
433 5IN4 6CK 4.55927
434 5IN4 NAP 4.55927
435 1UWK URO 4.55927
436 1UWK NAD 4.55927
437 2QA1 FAD 4.55927
438 1J0X NAD 4.55927
439 4G05 JZ3 4.55927
440 1X87 NAD 4.55927
441 4EIP FAD 4.55927
442 2Q0L NAP 4.55927
443 3AYI HCI 4.55927
444 3AYI FAD 4.55927
445 4JNA FAD 4.55927
446 1SC6 NAD 4.55927
447 2Q0L FAD 4.55927
448 4EIP K2C 4.55927
449 1GEE NAD 4.5977
450 1XKQ NDP 4.64286
451 4TQG NDP 4.64396
452 5TWB FAD 4.65116
453 2P3V SRT 4.6875
454 2RH4 EMO 4.69314
455 3KU0 ADE 4.78088
456 4D3F NAP 4.83871
457 2HMT NAI 4.86111
458 1Z45 NAD 4.86322
459 1GR0 NAD 4.86322
460 4G5H UD7 4.86322
461 4G5H NAP 4.86322
462 4CJX NAP 4.86322
463 5XWV 8H6 4.86322
464 5XWV NDP 4.86322
465 1VL8 NAP 4.86322
466 4J36 FAD 4.86322
467 4J36 1HR 4.86322
468 4FC7 NAP 4.86322
469 4FC7 COA 4.86322
470 2VVL FAD 4.86322
471 4R5M NAP 4.86322
472 1WPQ NAD 4.86322
473 4R5M 4NO 4.86322
474 2BD0 NAP 4.91803
475 6AA8 NAD 4.96689
476 4CQM NAP 4.98084
477 4NBT NAD 5
478 5OVK NDP 5.07812
479 3ICC NAP 5.09804
480 3OND NAD 5.12295
481 3OND ADN 5.12295
482 1NYT NAP 5.16605
483 5DN9 NAD 5.16717
484 2ZJ1 NAD 5.16717
485 2ZJ1 ARJ 5.16717
486 2DFV NAD 5.16717
487 1FK8 NAD 5.16717
488 3IHG FAD 5.16717
489 6AIN FAD 5.16717
490 1N1G BCP 5.16717
491 3QV1 NAD 5.16717
492 4HXY NDP 5.16717
493 5HSA FAS 5.16717
494 1X14 NAD 5.16717
495 5N2I NAP 5.17241
496 3QFA FAD 5.17241
497 5AYV KPL 5.17799
498 5AYV NAP 5.17799
499 1N5D NDP 5.20833
500 3JYN NDP 5.23077
501 3RFV NAI 5.24345
502 3RFV 15L 5.24345
503 1ZQ9 SAM 5.26316
504 5ZZ6 ADP 5.28846
505 5ZZ6 NAD 5.28846
506 1E7S NAP 5.29595
507 3ZV6 NAD 5.33808
508 3ZV6 4HB 5.33808
509 3GGO NAI 5.41401
510 3GGO ENO 5.41401
511 3VZS NAP 5.44747
512 3VZS CAA 5.44747
513 1U1I NAD 5.47112
514 3CMC NAD 5.47112
515 2GCG NDP 5.47112
516 2NU8 COA 5.47112
517 1WVG APR 5.47112
518 3GDN FAD 5.47112
519 3GDN HBX 5.47112
520 1QO8 FAD 5.47112
521 5YU3 NAD 5.47112
522 5YU3 PRO 5.47112
523 3DAG FEG 5.47112
524 1GZ6 NAI 5.47112
525 5G48 1FL 5.47112
526 3FPZ AHZ 5.52147
527 1JAY NAP 5.66038
528 5Z2L NDP 5.71429
529 1U7T TDT 5.74713
530 1U7T NAD 5.74713
531 1E3W NAD 5.74713
532 4YKG NAD 5.75816
533 1E6W NAD 5.76923
534 4GKV NAD 5.77508
535 1E3I CXF 5.77508
536 1PL6 572 5.77508
537 2Q1S NAI 5.77508
538 1PL6 NAD 5.77508
539 5BJX NAD 5.77508
540 5BJX UDP 5.77508
541 2GSD NAD 5.77508
542 1YKJ FAD 5.77508
543 1YKJ PHB 5.77508
544 1V59 NAD 5.77508
545 3V1U NAD 5.77508
546 1V59 FAD 5.77508
547 1E1M NAP 5.77508
548 1E1M FAD 5.77508
549 1E6E FAD 5.77508
550 2GVC FAD 5.77508
551 1VQW FAD 5.77508
552 2GV8 FAD 5.77508
553 2GV8 NDP 5.77508
554 2YG3 FAD 5.77508
555 4DSG UDP 5.77508
556 4DSG FAD 5.77508
557 1Q9I TEO 5.77508
558 1Q9I FAD 5.77508
559 5JCM FAD 5.77508
560 5JCM ISD 5.77508
561 5JCM NAD 5.77508
562 1WMA AB3 5.7971
563 1WMA NDP 5.7971
564 1ZBQ NAD 5.8104
565 3HAD NAD 5.84416
566 1GEG NAD 5.85938
567 2XZ9 PYR 5.8642
568 4EA7 JB2 5.90909
569 4EA7 COA 5.90909
570 1NM5 NAD 5.91133
571 5AOV NAP 5.95238
572 6HOY TSN 5.96026
573 4URF NAD 6.04839
574 2G5C NAD 6.04982
575 1MV8 NAD 6.07903
576 1OBB NAD 6.07903
577 1P0F NAP 6.07903
578 1MUU NAD 6.07903
579 3LZW FAD 6.07903
580 3LZW NAP 6.07903
581 2ZB3 NDP 6.07903
582 3H9E NAD 6.07903
583 1GTE FAD 6.07903
584 4YNU FAD 6.07903
585 1VKO NAD 6.07903
586 4YNU LGC 6.07903
587 5N0J FAD 6.07903
588 2I3G NAP 6.07903
589 5Y1G AKB 6.09756
590 5Y1G NAD 6.09756
591 4FK7 P34 6.11354
592 5DP2 NAP 6.14035
593 1KYQ NAD 6.20438
594 2F5Z FAD 6.25
595 1O94 ADP 6.25
596 5JE8 NAD 6.29139
597 3CH6 311 6.29371
598 3CH6 NAP 6.29371
599 5TUF TDC 6.35697
600 5TUF FAD 6.35697
601 5ZYN FAD 6.38298
602 2IZ1 ATR 6.38298
603 5TS5 FAD 6.38298
604 4USR FAD 6.38298
605 4C3Y FAD 6.38298
606 3OZ2 FAD 6.38298
607 4C3Y ANB 6.38298
608 5MSO NAP 6.38298
609 5UAV NDP 6.52174
610 5UAV TFB 6.52174
611 3O9Z NAD 6.68693
612 1KEW NAD 6.68693
613 3O9Z AKG 6.68693
614 1KEW TYD 6.68693
615 4CM9 NAP 6.68693
616 2VZ0 NAP 6.68693
617 2VZ0 D64 6.68693
618 3BMN NAP 6.68693
619 2WD7 NAP 6.68693
620 4CMI NAP 6.68693
621 4CME NAP 6.68693
622 4CLR NAP 6.68693
623 4CLO NAP 6.68693
624 3JQ7 NAP 6.68693
625 3BMO NAP 6.68693
626 4JDR FAD 6.68693
627 3BMQ NAP 6.68693
628 3JQ8 NAP 6.68693
629 2RGJ FAD 6.68693
630 4CM4 NAP 6.68693
631 3JQA NAP 6.68693
632 3JQB NAP 6.68693
633 3JQ9 NAP 6.68693
634 4Y1B NAP 6.68693
635 1GY8 NAD 6.68693
636 4CM8 NAP 6.68693
637 3NUG NAD 6.88259
638 2OOR NAD 6.89655
639 4JK3 NAD 6.94981
640 1BXK NAD 6.99088
641 1R6D DAU 6.99088
642 1R6D NAD 6.99088
643 5JCA FAD 6.99088
644 5JCA NDP 6.99088
645 2Y6Q I7T 6.99088
646 2Y6Q FAD 6.99088
647 2RGO FAD 6.99088
648 5UAO FAD 6.99088
649 2XVF FAD 6.99088
650 2XVE FAD 6.99088
651 5OVL NAP 7
652 2BKA NDP 7.02479
653 1HYH NAD 7.29483
654 1OC2 TDX 7.29483
655 1OC2 NAD 7.29483
656 1YJQ NAP 7.29483
657 1I8T FAD 7.29483
658 3ABI NAD 7.29483
659 1GET NAP 7.29483
660 1GET FAD 7.29483
661 4CNK FAD 7.29483
662 1V1A KDG 7.29483
663 1X1T NAD 7.30769
664 1JNR FAD 7.33333
665 5EIN NAP 7.40741
666 2AQJ TRP 7.59878
667 2AQJ FAD 7.59878
668 1NAA 6FA 7.59878
669 1NAA ABL 7.59878
670 4OPC PGT 7.59878
671 4OPC FDA 7.59878
672 1YS4 NAP 7.59878
673 1H9A NAP 7.59878
674 6D2O 4MZ 7.6555
675 4J56 FAD 7.89474
676 1GQ2 NAP 7.90274
677 1J5P NAD 7.90274
678 1NVM NAD 7.90274
679 5GUD 2IT 7.90274
680 5GUD NDP 7.90274
681 5GUD CIT 7.90274
682 4RPL FAD 7.90274
683 4RPL 3UC 7.90274
684 1CER NAD 7.90274
685 4U8P FDA 7.90274
686 4U8P UDP 7.90274
687 4ZCC NAI 7.90274
688 4ZCC FAD 7.90274
689 2DTX BMA 7.95455
690 4D79 ATP 7.97101
691 1ZEM NAD 8.01527
692 3GRU AMP 8.13559
693 5Z21 NAI 8.20669
694 2HQM FAD 8.20669
695 5WGR FAD 8.20669
696 4YSX FAD 8.33333
697 4R98 GNH 8.48709
698 4J4H NAI 8.49421
699 4J4H 1J1 8.49421
700 4XYB NDP 8.51064
701 2WSB NAD 8.51064
702 4J1Q NDP 8.51064
703 3VY6 BGC BGC 8.51064
704 4XDY NAI 8.51064
705 2RGH FAD 8.51064
706 2DT5 NAD 8.53081
707 5X9D 80F 8.55263
708 6DNT NAD 8.72093
709 5K4W NAI 8.72274
710 5K4W THR 8.72274
711 3CIF G3H 8.81459
712 1EBF NAD 8.81459
713 1TB4 PEJ 8.81459
714 5YB7 ORN 8.81459
715 5YB7 FAD 8.81459
716 4MIG G3F 8.81459
717 3CIF NAD 8.81459
718 1Y4Z PCI 8.81459
719 1W8D NAP 8.9404
720 1W73 NAP 8.9404
721 1W6U NAP 8.9404
722 4N7C AEF 9.09091
723 1RM0 D6P 9.11854
724 1RM0 NAI 9.11854
725 4WAS NAP 9.11854
726 4WAS COO 9.11854
727 1XSE NDP 9.15254
728 1LSS NAD 9.28571
729 1RYD NDP 9.42249
730 1H6C NDP 9.42249
731 5HJQ I3P 9.42249
732 5W3K NDP 9.42249
733 5W3K 9TY 9.42249
734 1H6C SIN 9.42249
735 2AE2 PTO 9.61539
736 2AE2 NAP 9.61539
737 3WV8 ATP 9.63303
738 5EES NAP 9.7166
739 1SB8 NAD 9.72644
740 1SB8 UD2 9.72644
741 1YB5 NAP 9.72644
742 2CDU FAD 9.72644
743 2CDU ADP 9.72644
744 1LDN NAD 9.81013
745 2Q46 NAP 9.88142
746 1ZK7 FAD 10.0304
747 6GAR FAD 10.0304
748 5JAQ NAI 10.0304
749 4K26 SFF 10.1449
750 4K26 NDP 10.1449
751 1XCL SAH 10.2128
752 2GMH FAD 10.3343
753 2NUO BGC 10.3343
754 2GUD MAN 10.3343
755 2NU5 NAG 10.3343
756 2HYR BGC GLC 10.3343
757 2GUC MAN 10.3343
758 2HYQ MAN MAN 10.3343
759 1XVV CCQ 10.3343
760 3RNM FAD 10.3448
761 1NVT NAP 10.453
762 5Y8L HUI 10.8475
763 5Y8L NAD 10.8475
764 2FZW NAD 10.9422
765 2Q7V FAD 11.0769
766 3QJ4 FAD 11.2462
767 5L95 AMP 11.25
768 1Q7B NAP 11.4754
769 1P1C SAH 12.0603
770 5ZI2 NAD 12.1581
771 5ZI2 ADP 12.1581
772 2DKH FAD 12.1581
773 2DKH 3HB 12.1581
774 4XYM COA 12.1739
775 4XZ3 COA 12.1739
776 3AD8 NAD 12.3153
777 3AD8 FAD 12.3153
778 3AD8 PYC 12.3153
779 1H2B NAJ 12.462
780 5OOH 9ZZ 12.462
781 5OOH NAP 12.462
782 5ODQ FAD 12.5
783 4RSL FAD 12.766
784 1N9G NAP 14.2857
785 3VPH OXM 15.4839
786 3VPH NAD 15.4839
787 1PZG A3D 16.1094
788 1MLD CIT 16.879
789 4ZA2 NAD 17.3252
790 2B4Q NAP 17.7536
791 5MIT NAP 18.3486
792 5MIT FAD 18.3486
793 1TDF NAP 18.9873
794 5JWC FAD 20.9726
795 1C3V NDP 21.2245
796 1V6A TRE 24.3161
797 1EZ4 NAD 24.6201
798 2A92 NAI 25.2336
799 1T26 GBD 25.4658
800 1T26 NAI 25.4658
801 1SOW NAD 26.2195
802 1A5Z NAD 28.2675
803 1O6Z NAD 29.0429
804 9LDB NAD 29.7872
805 5KKA 6V0 29.7872
806 9LDT NAD 29.7872
807 6CEP NAD 31.6109
808 6CEP OXM 31.6109
809 1LTH NAD 32.2188
810 1LDM NAD 33.1307
811 1UXG FUM 35.5987
812 1UXG NAD 35.5987
813 1HYE NAP 36.7412
814 4ZVV GN0 37.0821
815 4ZVV NAD 37.0821
816 1GUZ NAD 38.6018
817 1GV0 NAD 41.6129
Pocket No.: 2; Query (leader) PDB : 1B8U; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1b8u.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1B8U; Ligand: OAA; Similar sites found with APoc: 493
This union binding pocket(no: 3) in the query (biounit: 1b8u.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 3WLE NAD 1.21581
2 4LIK CIT 1.21581
3 5U8U FAD 1.21581
4 1H5Q NAP 1.21581
5 4RDH AMP 1.38889
6 4RDI ATP 1.38889
7 3EGI ADP 1.45631
8 2QRK AMP 1.51976
9 1F8G NAD 1.51976
10 2VAR KDG 1.59744
11 2VAR KDF 1.59744
12 5O2Z FLC 1.68067
13 3H8V ATP 1.71233
14 2AOT SAH 1.71233
15 1LUA NAP 1.74216
16 1D1T NAD 1.82371
17 5LD5 NAD 1.82371
18 1V8B NAD 1.82371
19 1DSS NAD 1.82371
20 4XQC 13D 1.82371
21 4XQC NAD 1.82371
22 1CZA G6P 1.82371
23 1O0S NAI 1.82371
24 1OMO NAD 1.86335
25 1I36 NAP 1.89394
26 3B1F NAD 2.06897
27 1WP4 NDP 2.07612
28 4G86 BNT 2.11268
29 2X6T NAP 2.12766
30 2C49 ADN 2.12766
31 1PCA CIT 2.12766
32 1KOL NAD 2.12766
33 1Y1P NMN AMP PO4 2.12766
34 1YQD NAP 2.12766
35 2C5A GDC 2.12766
36 2C5A NAD 2.12766
37 1DLJ NAI 2.12766
38 4Z0H NAD 2.12766
39 1OAA OAA 2.12766
40 5H81 NAP 2.12766
41 4J7U YTZ 2.12766
42 3OJO NAD 2.12766
43 1U8X NAD 2.12766
44 1RKX NAD 2.12766
45 4J7U NAP 2.12766
46 6BWL NAD 2.13415
47 1DRV A3D 2.1978
48 5TC4 NAD 2.21519
49 4UP3 NDP 2.2293
50 2YY7 NAD 2.24359
51 2GDZ NAD 2.24719
52 3OID NDP 2.32558
53 2PV7 NAD 2.34899
54 2DKN NAI 2.35294
55 2VT3 ATP 2.43161
56 1GZ4 ATP 2.43161
57 4MP8 NAD 2.43161
58 4MP8 MLI 2.43161
59 1VJT NAD 2.43161
60 1Q0H FOM 2.43161
61 5CAE COA 2.43161
62 1Q0H NDP 2.43161
63 5J5Z FAD 2.43161
64 5TOW NAI 2.43161
65 5TOW ADN 2.43161
66 1KEV NDP 2.43161
67 5UR0 NAD 2.43161
68 2NPX NAD 2.43161
69 1HDG NAD 2.43161
70 2D2I NAP 2.43161
71 3V1Y NAD 2.43161
72 4JBI NDP 2.43161
73 5MLR NAP 2.43161
74 5MLR GRQ 2.43161
75 4PVD NDP 2.43161
76 5CAE SIN 2.43161
77 3B20 NAD 2.43161
78 4EMI NAD 2.43902
79 5L53 NAP 2.46914
80 4LZB URA 2.52101
81 5O42 BGC 2.55474
82 5O42 9JW 2.55474
83 5O42 NAD 2.55474
84 1P77 ATR 2.57353
85 4YGM URA 2.58621
86 4B4U NAP 2.64026
87 2DBZ NAP 2.69461
88 3A1S GDP 2.71318
89 1UP7 NAD 2.73556
90 2VHW NAI 2.73556
91 3BAZ NAP 2.73556
92 1X7D ORN 2.73556
93 4OOE FOM 2.73556
94 4OOE NDP 2.73556
95 3TWO NDP 2.73556
96 2O4C NAD 2.73556
97 4W6Z 8ID 2.73556
98 1X7D NAD 2.73556
99 1CDO NAD 2.73556
100 5KMS NAD 2.73556
101 1C1X NAD 2.73556
102 1BXG NAD 2.73556
103 1ORR NAD 2.73556
104 4KOA NDP 2.73556
105 3SSO SAH 2.73556
106 3KB6 NAD 2.73556
107 1P31 EPU 2.73556
108 1BW9 NAD 2.73556
109 2ZB4 5OP 2.73556
110 3JQF NAP 2.77778
111 3JQG NAP 2.77778
112 4U7W NDP 2.85714
113 1HDR NAD 2.86885
114 4ZRN UPG 2.88462
115 4ZRN NAD 2.88462
116 6EL3 NAP 2.88714
117 2DC1 NAD 2.9661
118 5N6C NAD 3
119 1GAD NAD 3.0303
120 1RJW ETF 3.03951
121 3GFB NAD 3.03951
122 1LLU NAD 3.03951
123 1HKU NAD 3.03951
124 3WQQ IB3 3.03951
125 3WQQ NDP 3.03951
126 3X01 AMP 3.03951
127 4KP7 NAP 3.03951
128 4KP7 1UQ 3.03951
129 3OA2 NAD 3.03951
130 2B4R NAD 3.03951
131 2B4R AES 3.03951
132 4YCA NDP 3.06122
133 1VM6 NAD 3.07018
134 3O03 NAP 3.09278
135 1VI2 NAD 3.33333
136 4RQU NAD 3.34347
137 2JHF