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Receptor
PDB id Resolution Class Description Source Keywords
4E13 2.08 Å EC: 1.-.-.- SUBSTRATE-DIRECTED DUAL CATALYSIS OF DICARBONYL COMPOUNDS BY DIKETOREDUCTASE ACINETOBACTER BAYLYI OXIDOREDUCTASE NADH
Ref.: DUAL CATALYSIS MODE FOR THE DICARBONYL REDUCTION CA BY DIKETOREDUCTASE CHEM.COMMUN.(CAMB.) V. 48 11352 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:306;
Invalid;
none;
submit data
238.278 C10 H22 O6 C(COC...
GOL A:302;
A:303;
A:304;
A:305;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAD A:301;
Valid;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 A:307;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4E13 2.08 Å EC: 1.-.-.- SUBSTRATE-DIRECTED DUAL CATALYSIS OF DICARBONYL COMPOUNDS BY DIKETOREDUCTASE ACINETOBACTER BAYLYI OXIDOREDUCTASE NADH
Ref.: DUAL CATALYSIS MODE FOR THE DICARBONYL REDUCTION CA BY DIKETOREDUCTASE CHEM.COMMUN.(CAMB.) V. 48 11352 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 4E13 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4DYD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4E13 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4DYD - NAD C21 H27 N7 O14 P2 c1cc(c[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 4E13 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4DYD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1M75 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1F17 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
5 2HDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1LSJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1F12 - 3HC C25 H42 N7 O18 P3 S CC(CC(=O)S....
8 1M76 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1IL0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1F0Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 3HAD Kd = 85.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 6AA8 - 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 : 4E13; Ligand: NAD; Similar sites found with APoc: 905
This union binding pocket(no: 1) in the query (biounit: 4e13.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 3O5N BR0 None
2 1VKO NAD 0.706714
3 2Q0L FAD 1.06007
4 2Q0L NAP 1.06007
5 3ZUY TCH 1.06007
6 1NYT NAP 1.10701
7 2P3V SRT 1.17188
8 2BD0 NAP 1.22951
9 4MP8 NAD 1.41343
10 4MP8 MLI 1.41343
11 2RGJ FAD 1.41343
12 5BRT CH9 1.41343
13 5BRT FAD 1.41343
14 2GSD NAD 1.41343
15 1RM4 NDP 1.41343
16 4OHU 2TK 1.41343
17 4OHU NAD 1.41343
18 1XKQ NDP 1.42857
19 5A96 GTP 1.60643
20 5O9F 9ON 1.76678
21 5O9F NAD 1.76678
22 2XVF FAD 1.76678
23 5MLR NAP 1.76678
24 5MLR GRQ 1.76678
25 3GFB NAD 1.76678
26 1QMG APX 1.76678
27 4KOA NDP 1.76678
28 1N5D NDP 1.76678
29 1ZBQ NAD 1.76678
30 4U60 SIA GAL NGA 1.78571
31 1WP4 NDP 2.12014
32 3H9E NAD 2.12014
33 1YKJ FAD 2.12014
34 1YKJ PHB 2.12014
35 5EZ7 FAD 2.12014
36 1KEV NDP 2.12014
37 1I8T FAD 2.12014
38 5VKT NAP 2.12014
39 6AIN FAD 2.12014
40 1TDF FAD 2.12014
41 5KOX FAD 2.12014
42 5KOX RFP 2.12014
43 1TDF NAP 2.12014
44 1O6Z NAD 2.12014
45 4YKG NAD 2.12014
46 4YKG FAD 2.12014
47 2C29 NAP 2.12014
48 2CVZ NDP 2.12014
49 1FL2 FAD 2.12014
50 4UP3 FAD 2.12014
51 4R5M 4NO 2.12014
52 4R5M NAP 2.12014
53 2C29 DQH 2.12014
54 4EUE NAI 2.12014
55 6EL3 NAP 2.12014
56 4UP3 NDP 2.12014
57 3EF0 ALF 2.12014
58 1EQ2 NAP 2.12014
59 1VJT NAD 2.12014
60 5O42 NAD 2.18978
61 5O42 9JW 2.18978
62 5O42 BGC 2.18978
63 3RJ5 NAD 2.3622
64 1LC3 NAD 2.38095
65 2CFC NAD 2.4
66 4XDY NAI 2.4735
67 4OOE NDP 2.4735
68 4OOE FOM 2.4735
69 3B1J NAD 2.4735
70 6GAR FAD 2.4735
71 3B20 NAD 2.4735
72 3OA2 NAD 2.4735
73 4RSL FAD 2.4735
74 5A04 NDP 2.4735
75 2B5W NAP 2.4735
76 4B4U NAP 2.4735
77 2D2I NAP 2.4735
78 1COY AND 2.4735
79 1COY FAD 2.4735
80 1Q0H NDP 2.4735
81 1Q0H FOM 2.4735
82 1VDC FAD 2.4735
83 5L4S NAP 2.4735
84 5L4S 6KX 2.4735
85 3O26 NDP 2.4735
86 5CG1 NAD BBN 2.4735
87 5DOZ NDP 2.4735
88 1GY8 NAD 2.4735
89 5A04 BGC 2.4735
90 5YU3 NAD 2.4735
91 5YU3 PRO 2.4735
92 2RI1 GLP 2.55319
93 4ZFL 4NK 2.5641
94 5UAO FAD 2.5878
95 3QWI NAP 2.59259
96 3QWI CUE 2.59259
97 1I36 NAP 2.65152
98 1QG6 NAD 2.68199
99 1QG6 TCL 2.68199
100 2AHR NAP 2.7027
101 1G6H ADP 2.72374
102 3ICC NAP 2.7451
103 3FPZ AHZ 2.76074
104 1S7G NAD 2.7668
105 1YJQ NAP 2.82686
106 6F3N ADN 2.82686
107 6F3N NAD 2.82686
108 5ZI2 NAD 2.82686
109 5ZI2 ADP 2.82686
110 5BJX NAD 2.82686
111 1H2B NAJ 2.82686
112 3SQP FAD 2.82686
113 5BJX UDP 2.82686
114 5EOW FAD 2.82686
115 1T26 NAI 2.82686
116 1T26 GBD 2.82686
117 2GMH FAD 2.82686
118 1H82 FAD 2.82686
119 1CDO NAD 2.82686
120 1D4D FAD 2.82686
121 1H82 GZZ 2.82686
122 5FI3 NAP 2.82686
123 1P0F NAP 2.82686
124 4BJZ FAD 2.82686
125 4BJZ P3A 2.82686
126 1RYD NDP 2.82686
127 2VVM FAD 2.82686
128 3BAZ NAP 2.82686
129 1H6C NDP 2.82686
130 1X87 NAD 2.82686
131 4TM3 FAD 2.82686
132 1PJS NAD 2.82686
133 1H6C SIN 2.82686
134 3I6I NDP 2.82686
135 4DSG FAD 2.82686
136 4DSG UDP 2.82686
137 3GF4 UPG 2.82686
138 3GF4 FAD 2.82686
139 2VTD LKM 2.82686
140 4J1Q NDP 2.82686
141 5MSO NAP 2.82686
142 1D7O NAD 2.82686
143 1D7O TCL 2.82686
144 2A92 NAI 2.82686
145 1W6U NAP 2.82686
146 6F3M NAD 2.82686
147 2GCG NDP 2.82686
148 3O03 NAP 2.82686
149 3VYW SAM 2.82686
150 3H5N ATP 2.82686
151 1ZQ9 SAM 2.82686
152 1XVV CCQ 2.82686
153 1Q7B NAP 2.86885
154 2BKA NDP 2.89256
155 5T9E NAP 2.95203
156 1FWV SGA MAG FUC 2.98507
157 2EB5 OXL 2.99625
158 3OIG NAD 3.00752
159 5OJI ISN 3.07692
160 5OJI NAP 3.07692
161 3OID NDP 3.10078
162 2Q2V NAD 3.13725
163 3HVJ 705 3.16742
164 2JHF NAD 3.18021
165 4ZVV GN0 3.18021
166 4ZVV NAD 3.18021
167 6CEP NAD 3.18021
168 5KMS NAD 3.18021
169 6CEP OXM 3.18021
170 3UCL FAD 3.18021
171 3UCL NAP 3.18021
172 3UCL CYH 3.18021
173 3CMC NAD 3.18021
174 5JY6 NAD 3.18021
175 1KEW NAD 3.18021
176 5NUE NAD 3.18021
177 1QO8 FAD 3.18021
178 1GQ2 NAP 3.18021
179 3E1T FAD 3.18021
180 3ZNN 4WL 3.18021
181 3ZNN FAD 3.18021
182 2GZ3 NAP 3.18021
183 1KEW TYD 3.18021
184 5JCM NAD 3.18021
185 5JCM ISD 3.18021
186 5JCM FAD 3.18021
187 5NA1 FAD 3.18021
188 5NUF NAD 3.18021
189 1RJW ETF 3.18021
190 6A0S NDP 3.18021
191 6A0S HSE 3.18021
192 3H8V ATP 3.18021
193 3ETG GTP 3.18021
194 3ETG GLU 3.18021
195 3CIF NAD 3.18021
196 3ETG NDP 3.18021
197 4USQ FAD 3.18021
198 4YNU FAD 3.18021
199 5KMS FAD 3.18021
200 5UAV TFB 3.18021
201 5UAV NDP 3.18021
202 5XWV 8H6 3.18021
203 2RGO FAD 3.18021
204 5XWV NDP 3.18021
205 4C3Y FAD 3.18021
206 3F8D FAD 3.18021
207 3K5I AIR 3.18021
208 5A1T NAI 3.18021
209 1HYE NAP 3.18021
210 4YNU LGC 3.18021
211 2GLX NDP 3.18021
212 3IHG FAD 3.18021
213 5A1T OXM 3.18021
214 4C3Y ANB 3.18021
215 3CIF G3H 3.18021
216 4RF7 ARG 3.18021
217 3C7A NAD 3.18021
218 4EA7 COA 3.18182
219 4EA7 JB2 3.18182
220 1ZK4 NAP 3.18725
221 1ZK4 AC0 3.18725
222 4D42 W0I 3.19149
223 4D42 NAP 3.19149
224 1O8B ABF 3.19635
225 4XUC SAM 3.21101
226 4XUC 43G 3.21101
227 3IP8 B85 3.22581
228 5T9F NAP 3.32103
229 5T9F TYR 3.32103
230 1NFQ NAI 3.46154
231 4AP3 NAP 3.53357
232 4AP3 FAD 3.53357
233 2FZW NAD 3.53357
234 1V59 FAD 3.53357
235 1U3U BNF 3.53357
236 1U3U NAD 3.53357
237 4MIG G3F 3.53357
238 4XDZ NDP 3.53357
239 5BVA FAD 3.53357
240 4XYB NDP 3.53357
241 1GET FAD 3.53357
242 1GET NAP 3.53357
243 2IVD FAD 3.53357
244 3QFA FAD 3.53357
245 3HB5 NAP 3.53357
246 3A06 FOM 3.53357
247 3A06 NDP 3.53357
248 5K4W NAI 3.53357
249 5K4W THR 3.53357
250 1F06 NDP 3.53357
251 1F06 2NP 3.53357
252 1F8G NAD 3.53357
253 2PZM NAD 3.53357
254 2PZM UDP 3.53357
255 1F8F NAD 3.53357
256 1U1I NAD 3.53357
257 1YB5 NAP 3.53357
258 3H4V DVP 3.53357
259 3H4V NAP 3.53357
260 2C5A NAD 3.53357
261 2C5A GDC 3.53357
262 1A27 NAP 3.53357
263 1UP7 NAD 3.53357
264 2I3G NAP 3.53357
265 1NV8 MEQ 3.53357
266 1NV8 SAM 3.53357
267 5OSW DIU 3.53357
268 1VKF CIT 3.53357
269 1L7E NAI 3.53357
270 1V59 NAD 3.53357
271 3SSO SAH 3.53357
272 3SJ7 NDP 3.57143
273 1V6A TRE 3.61446
274 1ONI BEZ 3.62319
275 5D4V SAH 3.73134
276 5TVA AMP 3.75
277 1XCL SAH 3.82979
278 2AE2 PTO 3.84615
279 2AE2 NAP 3.84615
280 2BQP GLC 3.84615
281 1YQZ FAD 3.88128
282 5OOH NAP 3.8835
283 5OOH 9ZZ 3.8835
284 1HYH NAD 3.88693
285 1UXG FUM 3.88693
286 1UXG NAD 3.88693
287 1DSS NAD 3.88693
288 5DN9 NAD 3.88693
289 2DBZ NAP 3.88693
290 5KKA 6V0 3.88693
291 1RSG FAD 3.88693
292 1GZ4 ATP 3.88693
293 1YY5 FAD 3.88693
294 1UDB NAD 3.88693
295 1UDB UFG 3.88693
296 5MBX SP5 3.88693
297 5MBX FAD 3.88693
298 2C7G FAD 3.88693
299 1HDG NAD 3.88693
300 2C7G ODP 3.88693
301 4KP7 NAP 3.88693
302 4KP7 1UQ 3.88693
303 3WQQ IB3 3.88693
304 3WQQ NDP 3.88693
305 4RPL 3UC 3.88693
306 4RPL FAD 3.88693
307 2Q1S NAI 3.88693
308 3HDY FAD 3.88693
309 3HDY GDU 3.88693
310 3HDY FDA 3.88693
311 2QRK AMP 3.88693
312 1W8D NAP 3.88693
313 1W73 NAP 3.88693
314 4GLL NAD 3.88693
315 1DIG L37 3.88693
316 1DIG NAP 3.88693
317 4Q9N NAI 3.88693
318 5OVL NAP 3.88693
319 4J7U YTZ 3.88693
320 4J7U NAP 3.88693
321 4PVD NDP 3.88693
322 3E5P PPI 3.88693
323 1TB4 PEJ 3.88693
324 1V35 NAI 3.88693
325 5A1S FLC 3.88693
326 1ORR NAD 3.88693
327 3OJF NDP 3.89105
328 3OJF IMJ 3.89105
329 5BSH PRO 3.97112
330 4FC7 COA 3.97112
331 4FC7 NAP 3.97112
332 1WMA NDP 3.98551
333 1WMA AB3 3.98551
334 5I7S E9P 3.98551
335 5I7S NAD 3.98551
336 5O4J PJL 4.0146
337 5O4J SAH 4.0146
338 5O4J 9KH 4.0146
339 1AE1 NAP 4.0293
340 3NUG NAD 4.04858
341 1H5Q NAP 4.15094
342 1ZEM NAD 4.19847
343 4CQM NAP 4.21456
344 4WOH 4NP 4.21687
345 1J0X NAD 4.24028
346 2CDC XYP 4.24028
347 3OND ADN 4.24028
348 3OND NAD 4.24028
349 2CDC XYS 4.24028
350 2VYN NAD 4.24028
351 4JDR FAD 4.24028
352 2O4C NAD 4.24028
353 1GAD NAD 4.24028
354 5AYV KPL 4.24028
355 1V8B NAD 4.24028
356 5AYV NAP 4.24028
357 4L8V NAP 4.24028
358 2QA1 FAD 4.24028
359 3L9W AMP 4.24028
360 1EBF NAD 4.24028
361 2XVE FAD 4.24028
362 5JWC FAD 4.24028
363 1LUA NAP 4.24028
364 4EMI NAD 4.24028
365 6GAS FAD 4.24028
366 1YS4 NAP 4.24028
367 1BXK NAD 4.24028
368 2NU8 COA 4.24028
369 3L9W GSH 4.24028
370 4XYM COA 4.24028
371 4MDH NAD 4.24028
372 1G0N NDP 4.24028
373 1G0N PHH 4.24028
374 4EMI FAD 4.24028
375 4XZ3 COA 4.24028
376 3VZS NAP 4.24028
377 5MDH NAD 4.24028
378 3VZS CAA 4.24028
379 1SOW NAD 4.24028
380 5KVS 6XR 4.24028
381 1LJ8 NAD 4.24028
382 2CDC NAP 4.24028
383 1M2W NAD 4.24028
384 4JBI NDP 4.24028
385 4TQG NDP 4.24028
386 5KVS NAP 4.24028
387 5CKS GAL 4.24028
388 3QJ4 FAD 4.24028
389 5OVK NDP 4.29688
390 2RH4 EMO 4.33213
391 2HK9 NAP 4.36364
392 2HK9 ATR 4.36364
393 1I2B UPG 4.45545
394 1I2B USQ 4.45545
395 1I2B NAD 4.45545
396 2GNK ATP 4.46429
397 1C3V NDP 4.4898
398 1VL8 NAP 4.49438
399 2GDZ NAD 4.49438
400 1HDR NAD 4.5082
401 5N0J FAD 4.5584
402 4NBT NAD 4.58333
403 2PV7 NAD 4.59364
404 4YCA NDP 4.59364
405 5TOW ADN 4.59364
406 5TOW NAI 4.59364
407 5M67 NAD 4.59364
408 5M67 ADE 4.59364
409 5M67 3D1 4.59364
410 1GV0 NAD 4.59364
411 5E4R NAP 4.59364
412 5CAE SIN 4.59364
413 5CAE COA 4.59364
414 4Z0H NAD 4.59364
415 5N6C NAD 4.59364
416 1E1M NAP 4.59364
417 1E1M FAD 4.59364
418 2IXB A2G 4.59364
419 1OMO NAD 4.59364
420 1WPQ NAD 4.59364
421 4J56 FAD 4.59364
422 5WGR FAD 4.59364
423 2ZXI FAD 4.59364
424 6FP4 E1T 4.59364
425 6FP4 FAD 4.59364
426 3V1Y NAD 4.59364
427 1GPE FAD 4.59364
428 4IV9 FAD 4.59364
429 6DNT NAD 4.59364
430 5Y1G NAD 4.59364
431 5Y1G AKB 4.59364
432 5EB4 FAD 4.59364
433 3C1O NAP 4.59364
434 4USR FAD 4.59364
435 4A0S NAP 4.59364
436 2IXB NAD 4.59364
437 5HV7 RBL 4.59364
438 1OFL NGK GCD 4.59364
439 4ISS TAR 4.59364
440 4O1M NAD 4.59364
441 2OQ2 A3P 4.5977
442 1JJ7 ADP 4.61538
443 4MO2 FDA 4.61957
444 4MO2 FAD 4.61957
445 6CI9 NAP 4.6332
446 2DT5 NAD 4.73934
447 5N2I NAP 4.74138
448 4GKV NAD 4.7619
449 3ORF NAD 4.78088
450 3B1F NAD 4.947
451 1HKU NAD 4.947
452 1GUZ NAD 4.947
453 1DJN ADP 4.947
454 3LAD FAD 4.947
455 2E5V FAD 4.947
456 2DKH FAD 4.947
457 1OC2 NAD 4.947
458 1OC2 TDX 4.947
459 5YB7 FAD 4.947
460 5JCA NDP 4.947
461 5JCA FAD 4.947
462 5YB7 ORN 4.947
463 3AB1 FAD 4.947
464 1C1X NAD 4.947
465 2DKH 3HB 4.947
466 1BW9 NAD 4.947
467 3QVP FAD 4.947
468 2HQM FAD 4.947
469 1UWK NAD 4.947
470 1UWK URO 4.947
471 4CNK FAD 4.947
472 1BXG NAD 4.947
473 1SC6 NAD 4.947
474 1E5Q NDP 4.947
475 5TC4 NAD 4.947
476 4U7W NDP 4.947
477 3V1U NAD 4.947
478 4PIV NDP 4.947
479 1O5I NAD 4.947
480 5TUK FAD 4.947
481 1P1C SAH 5.02513
482 3WV8 ATP 5.04587
483 5T2Y 753 5.05051
484 2VT3 ATP 5.11628
485 1LYX PGA 5.24194
486 5EES NAP 5.26316
487 1J49 NAD 5.30035
488 1CF2 NAP 5.30035
489 9LDB NAD 5.30035
490 1BZL GCG 5.30035
491 5Z20 NAI 5.30035
492 1BZL FAD 5.30035
493 3QV1 NAD 5.30035
494 3G5S FAD 5.30035
495 2NVK FAD 5.30035
496 5TUF TDC 5.30035
497 4OPC PGT 5.30035
498 3NYC FAD 5.30035
499 3NYC IAR 5.30035
500 4OPC FDA 5.30035
501 1RYI GOA 5.30035
502 1RYI FAD 5.30035
503 5TUF FAD 5.30035
504 9LDT NAD 5.30035
505 4JNA FAD 5.30035
506 1LDM NAD 5.30035
507 3ITJ FAD 5.30035
508 3FWN ATR 5.30035
509 2NVK NAP 5.30035
510 5GUD NDP 5.30035
511 5IN4 GDP 5.30035
512 5IN4 6CK 5.30035
513 5IN4 NAP 5.30035
514 4KQW NAP 5.30035
515 5GUD CIT 5.30035
516 5GUD 2IT 5.30035
517 3LU1 NAD 5.30035
518 3FPF TNA 5.30035
519 3FPF MTA 5.30035
520 6A20 ADP 5.30035
521 3ITJ CIT 5.30035
522 4XFR CIT 5.30035
523 2DTX BMA 5.30303
524 1OW4 2AN 5.42636
525 1YQD NAP 5.46448
526 1E6E FAD 5.46875
527 3DAG FEG 5.58659
528 4EMJ FAD 5.60748
529 3RFV NAI 5.61798
530 3RFV 15L 5.61798
531 5NM7 GLY 5.6391
532 3NJ4 NAD 5.65371
533 3NJ4 AFX 5.65371
534 2F5Z FAD 5.65371
535 5J5Z FAD 5.65371
536 3KB6 NAD 5.65371
537 5X68 FAD 5.65371
538 1PN0 FAD 5.65371
539 1PN0 IPH 5.65371
540 4EIP FAD 5.65371
541 2VVL FAD 5.65371
542 2GN4 NDP 5.65371
543 2GN4 UD1 5.65371
544 4XQC NAD 5.65371
545 4XQC 13D 5.65371
546 1E7S NAP 5.65371
547 2YY7 NAD 5.65371
548 1Z82 NDP 5.65371
549 1RPN NDP 5.65371
550 1Q1R FAD 5.65371
551 4EIP K2C 5.65371
552 5EJ2 NAD 5.65371
553 1RP0 AHZ 5.65371
554 1Y1P NMN AMP PO4 5.65371
555 3DDN HPV 5.65371
556 2X6T NAP 5.65371
557 5WKC FAD 5.65371
558 2DM6 NAP 5.65371
559 1T9D FAD 5.65371
560 4XT8 NAP 5.81395
561 1SAY PYR 5.81717
562 5OFW 9TW 5.8296
563 1P77 ATR 5.88235
564 2Q46 NAP 5.92885
565 3TWO NDP 6.00707
566 2WPF WPF 6.00707
567 5Z21 NAI 6.00707
568 2WPF FAD 6.00707
569 4MOP 2H5 6.00707
570 5MIT FAD 6.00707
571 5MIT NAP 6.00707
572 1MO9 KPC 6.00707
573 1MO9 FAD 6.00707
574 5JE8 NAD 6.00707
575 2CDU FAD 6.00707
576 3O9Z NAD 6.00707
577 3O9Z AKG 6.00707
578 1EK6 UPG 6.00707
579 2CDU ADP 6.00707
580 3NT6 FAD 6.00707
581 1Z45 NAD 6.00707
582 1KNR FAD 6.00707
583 1O0S NAI 6.00707
584 3NTD FAD 6.00707
585 6BWL NAD 6.00707
586 1EK6 NAI 6.00707
587 1D1T NAD 6.00707
588 1N7G GDR 6.00707
589 1N7G NDP 6.00707
590 3NTA FAD 6.00707
591 1YKF NAP 6.00707
592 3CH6 311 6.00707
593 3CH6 NAP 6.00707
594 3S5W NAP 6.00707
595 4TR9 38D 6.00707
596 1R37 NAD 6.00707
597 3S5W FAD 6.00707
598 1F9V ADP 6.00707
599 3KO8 NAD 6.00707
600 4URF NAD 6.04839
601 2B4Q NAP 6.15942
602 5L95 AMP 6.25
603 3VPH NAD 6.36042
604 3VPH OXM 6.36042
605 5FJN BE2 6.36042
606 5FJN FAD 6.36042
607 2FR1 NDP 6.36042
608 3WGT FAD 6.36042
609 3X0V FAD 6.36042
610 3WGT QSC 6.36042
611 5HSA FAS 6.36042
612 2NAD NAD 6.36042
613 2JB2 PHE 6.36042
614 2JB2 FAD 6.36042
615 1PGP 6PG 6.36042
616 1U8X NAD 6.36042
617 2EXX NAP 6.36042
618 3VSE SAH 6.36042
619 3ZV6 4HB 6.40569
620 3ZV6 NAD 6.40569
621 4J4H 1J1 6.56371
622 4J4H NAI 6.56371
623 4JK3 NAD 6.56371
624 1OAA OAA 6.56371
625 6B74 BEN 6.58436
626 1GEG NAD 6.64062
627 5N53 8NB 6.66667
628 1GR0 NAD 6.71378
629 5U8U FAD 6.71378
630 1ZK7 FAD 6.71378
631 5ZYN FAD 6.71378
632 4TXI FAD 6.71378
633 3AD8 NAD 6.71378
634 3OZ2 FAD 6.71378
635 1LVL NAD 6.71378
636 2CVQ NDP 6.71378
637 4ZRN NAD 6.71378
638 3AD8 PYC 6.71378
639 3AD8 FAD 6.71378
640 1LVL FAD 6.71378
641 4ZRN UPG 6.71378
642 1XHL NDP 6.71378
643 2BRY FAD 6.71378
644 4Y1B NAP 6.71378
645 2PT9 2MH 6.71378
646 5EVY FAD 6.71378
647 2HIM ASP 6.71378
648 2HIM ASN 6.71378
649 5ZZ6 ADP 6.73077
650 5ZZ6 NAD 6.73077
651 2G5C NAD 6.76157
652 4TSK NDP 6.85714
653 2WYV NAD 6.89655
654 5B4T 3HR 6.92308
655 5B4T NAD 6.92308
656 5TWB FAD 7.06714
657 4D04 FAD 7.06714
658 4D04 NAP 7.06714
659 1C0I BE2 7.06714
660 1C0I FAD 7.06714
661 3NKS FAD 7.06714
662 1Q9I FAD 7.06714
663 1Q9I TEO 7.06714
664 1NAA 6FA 7.06714
665 1NAA ABL 7.06714
666 3GDN FAD 7.06714
667 3GDN HBX 7.06714
668 3M89 GSP 7.06714
669 5CIC 51R 7.06714
670 2EV9 SKM 7.22433
671 2EV9 NAP 7.22433
672 1GEE NAD 7.27969
673 1KYQ NAD 7.29927
674 1FK8 NAD 7.393
675 1MUU NAD 7.42049
676 1LDN NAD 7.42049
677 1LLU NAD 7.42049
678 4M52 M52 7.42049
679 4M52 FAD 7.42049
680 2A8X FAD 7.42049
681 1A5Z NAD 7.42049
682 4D3F NAP 7.42049
683 3FG2 FAD 7.42049
684 2DFV NAD 7.42049
685 4RDI ATP 7.42049
686 1Y8Q ATP 7.42049
687 4RDH AMP 7.42049
688 2IZ1 ATR 7.42049
689 4HXY NDP 7.42049
690 3GGO NAI 7.42049
691 3GGO ENO 7.42049
692 1XSE NDP 7.42049
693 3AY6 NAI 7.43494
694 3AY6 BGC 7.43494
695 1P6O HPY 7.45342
696 2PD4 NAD 7.63636
697 2PD4 DCN 7.63636
698 1NVT NAP 7.66551
699 4J36 FAD 7.77385
700 4J36 1HR 7.77385
701 2Q7V FAD 7.77385
702 2YG3 FAD 7.77385
703 5X9D 80F 7.77385
704 4BVA T3 7.77385
705 4BVA NDP 7.77385
706 5GZ6 NDP 7.77385
707 5GZ6 7C3 7.77385
708 4DPL NAP 7.79944
709 2WSB NAD 7.87402
710 3WLE NAD 7.91789
711 4D79 ATP 7.97101
712 4QED NAP 8.06452
713 5W3K 9TY 8.12721
714 5W3K NDP 8.12721
715 2B4R NAD 8.12721
716 1KOL NAD 8.12721
717 2B4R AES 8.12721
718 5I39 FAD 8.12721
719 2D5X L35 8.21918
720 1NM5 NAD 8.37438
721 1NM5 NAP 8.37438
722 1DRV A3D 8.42491
723 1X1T NAD 8.46154
724 2ZAT NAP 8.46154
725 5UR0 NAD 8.48057
726 1NVM NAD 8.48057
727 4ZCC NAI 8.48057
728 4ZCC FAD 8.48057
729 5BUK FAD 8.48057
730 1PS9 FAD 8.48057
731 5OC1 FAD 8.48057
732 1GTE FAD 8.48057
733 1K3T BRZ 8.48057
734 4RQU NAD 8.48057
735 4HA6 FAD 8.48057
736 1PS9 NAP 8.48057
737 1DLJ NAI 8.83392
738 1DLJ UGA 8.83392
739 4JJF FE9 8.83392
740 4JJF N2I 8.83392
741 4NTC FAD 8.83392
742 5X20 NAD 8.83392
743 1RKX NAD 8.83392
744 1GZ6 NAI 8.83392
745 5ZEC NAP 8.83392
746 1KJ8 GAR 8.83392
747 3LGS ADE 8.98876
748 1J5P NAD 9.09091
749 3OJO NAD 9.18728
750 5H81 NAP 9.18728
751 1REO FAD 9.18728
752 2GVC FAD 9.18728
753 2GV8 FAD 9.18728
754 2GV8 NDP 9.18728
755 1VQW FAD 9.18728
756 4BHL ARG 9.18728
757 5EIN NAP 9.25926
758 2F1K NAP 9.319
759 5Z2L NDP 9.38776
760 2Y6Q FAD 9.54064
761 2Y6Q I7T 9.54064
762 2R4J 13P 9.54064
763 2R4J FAD 9.54064
764 1SB8 NAD 9.54064
765 1SB8 UD2 9.54064
766 3BMN NAP 9.54064
767 6F97 FAD 9.54064
768 4CM9 NAP 9.54064
769 3JQ8 NAP 9.54064
770 4CMI NAP 9.54064
771 3JQF NAP 9.54064
772 4CLR NAP 9.54064
773 3BMO NAP 9.54064
774 4CME NAP 9.54064
775 4CM4 NAP 9.54064
776 3BMQ NAP 9.54064
777 4CM8 NAP 9.54064
778 3JQG NAP 9.54064
779 3JQA NAP 9.54064
780 3JQ9 NAP 9.54064
781 5JAQ NAI 9.54064
782 3JQ7 NAP 9.54064
783 4CLO NAP 9.54064
784 3JQB NAP 9.54064
785 4IDC NDP 9.63855
786 4IDC 1XX 9.63855
787 2OOR NAD 9.77011
788 4CJX NAP 9.89399
789 3AFN NAP 9.89399
790 6BQ6 TER 9.89399
791 2VZ0 NAP 10.0746
792 2VZ0 D64 10.0746
793 2WD7 NAP 10.0746
794 1E3I CXF 10.2473
795 3AYI HCI 10.2473
796 3AYI FAD 10.2473
797 1PL6 572 10.2473
798 1PL6 NAD 10.2473
799 2AQJ TRP 10.2473
800 2AQJ FAD 10.2473
801 2Q1W NAD 10.2473
802 1X14 NAD 10.2473
803 1WVG APR 10.2473
804 3C6K SPD 10.2473
805 3C6K MTA 10.2473
806 4YSX FAD 10.2564
807 3RNM FAD 10.3448
808 4II2 ATP 10.4294
809 4G9N NGA 10.4895
810 1ZH8 NAP 10.6007
811 3L4S NAD 10.6007
812 3L4S 3PG 10.6007
813 1PR9 NAP 10.6557
814 3D3W NAP 10.6557
815 1JNR FAD 10.6667
816 2YPI PGA 10.9312
817 2YVF NAD 10.9541
818 2YVF FAD 10.9541
819 1O94 ADP 10.9541
820 1FEC FAD 10.9541
821 2YVJ NAI 10.9541
822 2YVJ FAD 10.9541
823 3WBF NAP 11.3074
824 3WBF API 11.3074
825 4W6Z 8ID 11.3074
826 1OBB NAD 11.3074
827 1JAY NAP 11.3208
828 1Z0N BCD 11.4583
829 2VHW NAI 11.6608
830 5DF1 NAP 11.6608
831 5DF1 58X 11.6608
832 1X7D NAD 11.6608
833 1X7D ORN 11.6608
834 4G5H NAP 11.6608
835 4G5H UD7 11.6608
836 6F9Q NAD 11.7647
837 2HMT NAI 11.8056
838 1UJ5 5RP 11.8943
839 5G3U FDA 12.0141
840 5ODQ FAD 12.0141
841 5G3U ITW 12.0141
842 1R6D NAD 12.0141
843 1R6D DAU 12.0141
844 1CER NAD 12.0141
845 5ZBC FAD 12.0141
846 5ODQ 9SB 12.0141
847 5Y8L HUI 12.2034
848 5Y8L NAD 12.2034
849 5LD5 NAD 12.3675
850 3A4V PYR 12.3675
851 1H9A NAP 12.3675
852 3A4V NAD 12.3675
853 5Y77 FAD 12.7208
854 4O4Z N2O 12.987
855 1MV8 NAD 13.0742
856 3ABI NAD 13.0742
857 1EZ4 NAD 13.0742
858 5T96 79J 13.0742
859 2NPX NAD 13.4276
860 3ULK NDP 13.4276
861 2NPX FAD 13.4276
862 4N70 2HX 13.4276
863 2DKN NAI 13.7255
864 5MZI FYK 13.7809
865 5MZI FAD 13.7809
866 4AT0 FAD 13.7809
867 5AOV NAP 13.9881
868 4EDF UPG 14.1343
869 4U8P FDA 14.1343
870 4U8P UDP 14.1343
871 6BII NAP 14.1343
872 2RGH FAD 14.1343
873 1U7T TDT 14.1762
874 1U7T NAD 14.1762
875 1LTH NAD 14.4876
876 2YYY NAP 14.4876
877 1E3W NAD 14.5594
878 1E6W NAD 14.6154
879 3G6N MET ALA SER 14.6597
880 3K7M FAD 14.841
881 5YEC ATP 15.126
882 3KLJ FAD 15.1943
883 5TS5 FAD 15.5477
884 3WXB NDP 15.7706
885 1VM6 NAD 16.2281
886 1PZG A3D 16.6078
887 2IID PHE 16.6078
888 2IID FAD 16.6078
889 3Q3C NAD 16.7224
890 1NNU TCT 18.3333
891 1NNU NAD 18.3333
892 4REP FAD 18.9899
893 2DC1 NAD 20.7627
894 1N1G BCP 21.2014
895 3LZW NAP 21.5548
896 3LZW FAD 21.5548
897 1RM0 D6P 22.9682
898 1RM0 NAI 22.9682
899 1NPD NAD 24.0283
900 1VI2 NAD 24.0283
901 2ZJ1 ARJ 28.6219
902 2ZJ1 NAD 28.6219
903 1LSS NAD 31.4286
904 2VOH CIT 42.3077
905 1WDK NAD 42.7562
Pocket No.: 2; Query (leader) PDB : 4E13; 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: 4e13.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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