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Receptor
PDB id Resolution Class Description Source Keywords
1GEE 1.6 Å EC: 1.1.1.47 CRYSTAL STRUCTURE OF GLUCOSE DEHYDROGENASE MUTANT Q252L COMP NAD+ BACILLUS MEGATERIUM SHORT-CHAIN DEHYDROGENASE/REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURAL ANALYSIS OF STABILITY-INCREASING MUTANTS GLUCOSE DEHYDROGENASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:1262;
B:2262;
E:3262;
F:4262;
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
1GEE 1.6 Å EC: 1.1.1.47 CRYSTAL STRUCTURE OF GLUCOSE DEHYDROGENASE MUTANT Q252L COMP NAD+ BACILLUS MEGATERIUM SHORT-CHAIN DEHYDROGENASE/REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURAL ANALYSIS OF STABILITY-INCREASING MUTANTS GLUCOSE DEHYDROGENASE TO BE PUBLISHED
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3AUU - BGC C6 H12 O6 C([C@@H]1[....
3 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 1X7H - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 1GEG - GLC C6 H12 O6 C([C@@H]1[....
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 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
20 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
21 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
22 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
23 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
24 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
25 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1IPF - TNE C8 H13 N O CN1[C@H]2C....
27 5OVK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
28 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
29 6CI9 - F3V C3 H7 N O CC(=O)CN
30 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 5O72 Ki = 23 nM 9MH C18 H14 F N3 O3 c1cc(cc2c1....
34 5HS6 - J3Z C18 H22 O2 C[C@]12CC[....
35 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
36 5O6O Ki = 58 nM 9MB C17 H11 F2 N O3 c1cc(c(c(c....
37 5ICM - GLC C6 H12 O6 C([C@@H]1[....
38 5O7C Ki = 9 nM 9N2 C17 H9 F N2 O2 c1cc(cc2c1....
39 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
42 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
45 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
46 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
47 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
52 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
54 5OJI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
55 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 5WUW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
59 6F9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
63 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
64 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
67 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
68 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
69 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
70 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
71 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
72 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
73 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
74 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
75 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
76 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
77 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
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 : 1GEE; Ligand: NAD; Similar sites found with APoc: 619
This union binding pocket(no: 1) in the query (biounit: 1gee.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4MDH NAD 0.766284
2 5MDH NAD 0.766284
3 5XNC MTA 1.14943
4 6HDT BTN 1.50376
5 3LST SAH 1.53257
6 2BKA NDP 1.65289
7 3ICS ADP 1.91571
8 5ME4 HP4 1.91571
9 3ICT ADP 1.91571
10 4ZGS NAD 1.91571
11 1WP4 NDP 1.91571
12 3FSY SCA 1.91571
13 4KOA NDP 1.91571
14 1PJS NAD 1.91571
15 4D79 ATP 1.91571
16 1FEC FAD 1.91571
17 5HVJ ANP 1.91571
18 2CVZ NDP 1.91571
19 1OGD RIP 2.29008
20 3A4V PYR 2.29885
21 3A4V NAD 2.29885
22 5K4W NAI 2.29885
23 5K4W THR 2.29885
24 5LKC FUC GLA A2G 2.29885
25 1X87 NAD 2.29885
26 4N49 SAM 2.29885
27 1UXG NAD 2.29885
28 1UXG FUM 2.29885
29 1I36 NAP 2.29885
30 6A0S HSE 2.29885
31 6A0S NDP 2.29885
32 5JE8 NAD 2.29885
33 4OOE FOM 2.29885
34 4OOE NDP 2.29885
35 2GLX NDP 2.29885
36 5WGR FAD 2.29885
37 2PWY SAH 2.32558
38 5OJL TXP 2.34899
39 3EGI ADP 2.42718
40 4POO SAM 2.5
41 4PIV NDP 2.68199
42 5F5N NAD 2.68199
43 2V6G NAP 2.68199
44 3L9W AMP 2.68199
45 2F1K NAP 2.68199
46 1GUZ NAD 2.68199
47 1EZ4 NAD 2.68199
48 1I2B NAD 2.68199
49 1I2B USQ 2.68199
50 1I2B UPG 2.68199
51 1KYZ SAH 2.68199
52 5UR0 NAD 2.68199
53 5YEC ATP 2.68199
54 6AA8 NAD 2.68199
55 5A7Y SAH 2.68199
56 5ZYN FAD 2.68199
57 1NPD NAD 2.68199
58 3T31 FAD 2.68199
59 3T31 DCQ 2.68199
60 5T9E NAP 2.68199
61 5LUB 3Y7 2.68199
62 2QRK AMP 2.68199
63 6H3O FAD 2.68199
64 2VHW NAI 2.68199
65 2IID PHE 2.68199
66 2IID FAD 2.68199
67 6F7L FAD 2.68199
68 1P19 IMP 2.71493
69 5ZZ6 ADP 2.88462
70 5ZZ6 NAD 2.88462
71 2RI1 GLP 2.97872
72 1E7S NAP 3.06513
73 1VL0 NAI 3.06513
74 3WMX NAD 3.06513
75 5MLR GRQ 3.06513
76 5MLR NAP 3.06513
77 3B1F NAD 3.06513
78 4XB2 NDP 3.06513
79 5AYV NAP 3.06513
80 6CEP NAD 3.06513
81 5A1T NAI 3.06513
82 5X9D 80F 3.06513
83 5LD5 NAD 3.06513
84 6CEP OXM 3.06513
85 3GFB NAD 3.06513
86 3EVG SAH 3.06513
87 4XB2 HSE 3.06513
88 4Z0H NAD 3.06513
89 4M52 FAD 3.06513
90 3O9Z AKG 3.06513
91 6FHO FAD 3.06513
92 1D1T NAD 3.06513
93 3O9Z NAD 3.06513
94 5AYV KPL 3.06513
95 4M52 M52 3.06513
96 2P41 SAH 3.06513
97 5A1T OXM 3.06513
98 1NVT NAP 3.06513
99 5U5G NAP 3.06513
100 4EIP FAD 3.06513
101 2HQM FAD 3.06513
102 3OA2 NAD 3.06513
103 1D4D FAD 3.06513
104 1Z0N BCD 3.125
105 1EK6 NAI 3.44828
106 5IN4 6CK 3.44828
107 5IN4 GDP 3.44828
108 1EK6 UPG 3.44828
109 5IN4 NAP 3.44828
110 3I6I NDP 3.44828
111 1A5Z NAD 3.44828
112 4YCA NDP 3.44828
113 3V1Y NAD 3.44828
114 1MUU NAD 3.44828
115 2WK1 SAH 3.44828
116 1MV8 NAD 3.44828
117 3OJO NAD 3.44828
118 6AIN FAD 3.44828
119 3G2O SAM 3.44828
120 2CXG GLC GLC 3.44828
121 4PLT NAI 3.44828
122 6ER9 FAD 3.44828
123 4PLT OXM 3.44828
124 5FJN FAD 3.44828
125 5FJN BE2 3.44828
126 1GZ4 ATP 3.44828
127 1ZQ9 SAM 3.44828
128 6ER9 NAP 3.44828
129 5JY6 NAD 3.44828
130 2IXB A2G 3.44828
131 2DFV NAD 3.44828
132 5ZI2 NAD 3.47826
133 5ZI2 ADP 3.47826
134 6F5W KG1 3.52304
135 3WCS MAN NAG 3.54331
136 1M0S CIT 3.65297
137 4ZVV NAD 3.83142
138 4ZVV GN0 3.83142
139 5NM7 GLY 3.83142
140 1RM0 D6P 3.83142
141 1YQZ FAD 3.83142
142 1YJQ NAP 3.83142
143 1RM0 NAI 3.83142
144 5WP5 SAH 3.83142
145 5H81 NAP 3.83142
146 4BHL ARG 3.83142
147 5WP4 SAH 3.83142
148 1BW9 NAD 3.83142
149 1J0X NAD 3.83142
150 4C1K PEP 3.83142
151 1DJN ADP 3.83142
152 1C1X NAD 3.83142
153 1PZG A3D 3.83142
154 2CVQ NDP 3.83142
155 1YB5 NAP 3.83142
156 1BXG NAD 3.83142
157 6CWH 6LA 3.84615
158 5OOH 9ZZ 3.8835
159 5OOH NAP 3.8835
160 1EJ0 SAM 3.88889
161 4TXI FAD 3.90244
162 4PLG OXM 4.21456
163 4PLG NAI 4.21456
164 5OCM NAP 4.21456
165 4D3F NAP 4.21456
166 5A6N U7E 4.21456
167 2IZ1 ATR 4.21456
168 1CF2 NAP 4.21456
169 1TZD ADP 4.21456
170 1SAY PYR 4.21456
171 4AP3 FAD 4.21456
172 4AP3 NAP 4.21456
173 3TLJ SAH 4.21456
174 6ECW SAH 4.21456
175 4L8V NAP 4.21456
176 2V2G BEZ 4.29185
177 2VDV SAM 4.47154
178 4ZRN NAD 4.5977
179 4ZRN UPG 4.5977
180 6EL3 NAP 4.5977
181 2Q1W NAD 4.5977
182 2X6T NAP 4.5977
183 2JL1 NAP 4.5977
184 1T26 GBD 4.5977
185 1T26 NAI 4.5977
186 3B20 NAD 4.5977
187 1B8U NAD 4.5977
188 1LDM NAD 4.5977
189 4X9M FAD 4.5977
190 5O9F 9ON 4.5977
191 5O9F NAD 4.5977
192 4R5M NAP 4.5977
193 6AR9 3L4 4.5977
194 1F8G NAD 4.5977
195 3BAZ NAP 4.5977
196 1HYH NAD 4.5977
197 3B1J NAD 4.5977
198 3GCZ SAM 4.5977
199 4KCT PYR 4.5977
200 2F6U CIT 4.70085
201 3MB5 SAM 4.70588
202 4EUE NAI 4.98084
203 2HJR APR 4.98084
204 5JAQ NAI 4.98084
205 1LDN NAD 4.98084
206 2A92 NAI 4.98084
207 1P77 ATR 4.98084
208 1DSS NAD 4.98084
209 2B4R NAD 4.98084
210 1UP7 NAD 4.98084
211 5U8U FAD 4.98084
212 4UP4 NDG 4.98084
213 3H5N ATP 4.98084
214 5YSQ INS 4.98084
215 4JDR FAD 4.98084
216 3F10 8HG 4.98084
217 3SUC ATP 4.98084
218 4YMH SAH 5
219 1RPN NDP 5.07463
220 2PK3 A2R 5.36398
221 2C29 NAP 5.36398
222 2C29 DQH 5.36398
223 5KKA 6V0 5.36398
224 2UYQ SAM 5.36398
225 1KYQ NAD 5.36398
226 2PV7 NAD 5.36398
227 4DPL NAP 5.36398
228 5BW4 SAM 5.36398
229 1FP2 SAH 5.36398
230 1GPE FAD 5.36398
231 5JCM ISD 5.36398
232 5JCM NAD 5.36398
233 5JCM FAD 5.36398
234 1Q9I FAD 5.36398
235 1Q9I TEO 5.36398
236 2FZW NAD 5.36398
237 3OZG SSI 5.6
238 5EES NAP 5.66802
239 1RKX NAD 5.74713
240 5BJX NAD 5.74713
241 5BJX UDP 5.74713
242 5NUF NAD 5.74713
243 5CAE COA 5.74713
244 3C1O NAP 5.74713
245 1NYT NAP 5.74713
246 3TWO NDP 5.74713
247 2OOR NAD 5.74713
248 1E5Q NDP 5.74713
249 5NUE NAD 5.74713
250 2V7O DRN 5.74713
251 2J5B TYE 5.74713
252 2RAB FAD 5.74713
253 2RAB NAD 5.74713
254 2EG5 SAH 5.74713
255 6F97 FAD 5.74713
256 3IHG FAD 5.74713
257 1GQ2 NAP 5.74713
258 4AML GYU 5.84795
259 1ZK7 FAD 5.99572
260 2VT3 ATP 6.04651
261 2YY7 NAD 6.13027
262 1GY8 NAD 6.13027
263 1LTH NAD 6.13027
264 3ABI NAD 6.13027
265 2Q1S NAI 6.13027
266 1HYE NAP 6.13027
267 3H8V ATP 6.13027
268 5L95 AMP 6.13027
269 5EIN NAP 6.13027
270 5E70 RCD 6.13027
271 5UAV TFB 6.13027
272 1H2B NAJ 6.13027
273 5UAV NDP 6.13027
274 3L4S 3PG 6.13027
275 3L4S NAD 6.13027
276 2Q46 NAP 6.32411
277 5Y1G NAD 6.51341
278 5Y1G AKB 6.51341
279 3GU3 SAH 6.51341
280 2WA2 SAM 6.51341
281 5JJR SAH 6.51341
282 1FP1 SAH 6.51341
283 5YU3 PRO 6.51341
284 5YU3 NAD 6.51341
285 2DC1 NAD 6.77966
286 2FR1 NDP 6.79012
287 4GLL NAD 6.89655
288 2VUT NAD 6.89655
289 4OM8 NAD 6.89655
290 3GGO NAI 6.89655
291 3GGO ENO 6.89655
292 2WPF FAD 6.89655
293 2WPF WPF 6.89655
294 3SQP FAD 6.89655
295 4XQC 13D 6.89655
296 1BZL GCG 6.89655
297 4XQC NAD 6.89655
298 3O7W SAM 6.89655
299 1BZL FAD 6.89655
300 2G5C NAD 6.89655
301 5KOX RFP 6.89655
302 5KOX FAD 6.89655
303 1TI7 NAP 6.89655
304 1LSS NAD 7.14286
305 2GN4 UD1 7.27969
306 2GN4 NDP 7.27969
307 5L4L NAP 7.27969
308 1Y1P NMN AMP PO4 7.27969
309 1BXK NAD 7.27969
310 5L4L 7OX 7.27969
311 4E13 NAD 7.27969
312 2GZ3 NAP 7.27969
313 2C5A GDC 7.27969
314 2C5A NAD 7.27969
315 2CDU ADP 7.27969
316 1RM4 NDP 7.27969
317 4BCQ TJF 7.27969
318 1OYF MHN 7.43802
319 1RL4 BL5 7.44681
320 2DT5 NAD 7.58294
321 3LU1 NAD 7.66284
322 1PL6 NAD 7.66284
323 1YS4 NAP 7.66284
324 3UOY FAD 7.66284
325 3UOY NAP 7.66284
326 1GAD NAD 7.66284
327 3VPH NAD 7.66284
328 5FA5 MTA 7.66284
329 2VYN NAD 7.66284
330 3H9E NAD 7.66284
331 5XVH NAP 7.66284
332 5YSN 5AD 7.66284
333 3VPH OXM 7.66284
334 5E9W SAH 7.66284
335 3NJ4 AFX 7.66284
336 1H82 GZZ 7.66284
337 3NJ4 NAD 7.66284
338 1H82 FAD 7.66284
339 4GKV NAD 7.7381
340 1I7Q PYR 7.77202
341 1WVG APR 8.04598
342 1EQ2 NAP 8.04598
343 1V35 NAI 8.04598
344 1O6Z NAD 8.04598
345 6C4T NA7 8.04598
346 3CMC NAD 8.04598
347 2TOH HBI 8.04598
348 2NU8 COA 8.04598
349 1SC6 NAD 8.04598
350 2HK9 ATR 8.42912
351 4OHU 2TK 8.42912
352 4OHU NAD 8.42912
353 1V6A TRE 8.42912
354 1UWK URO 8.42912
355 1UWK NAD 8.42912
356 2E5V FAD 8.42912
357 2HK9 NAP 8.42912
358 1V59 FAD 8.42912
359 2VN9 GVD 8.42912
360 5A0U CHT 8.42912
361 5F8F SFG 8.42912
362 4JLS 3ZE 8.55263
363 4RHE FMN 8.61244
364 2F7A BEZ 8.62069
365 1O94 ADP 8.71212
366 6C4N NAP 8.81226
367 1VKO NAD 8.81226
368 2I3G NAP 8.81226
369 5MIT FAD 8.81226
370 5MIT NAP 8.81226
371 1E3I CXF 8.81226
372 2WPB ZZI 8.81226
373 4BWL MN9 8.81226
374 4PVD NDP 9.1954
375 5DF1 58X 9.1954
376 5DF1 NAP 9.1954
377 1N7G NDP 9.1954
378 1N7G GDR 9.1954
379 6FDF SAH 9.1954
380 2CYB TYR 9.1954
381 5ZEC NAP 9.57854
382 1R6D NAD 9.57854
383 1R6D DAU 9.57854
384 4FBL SPD 9.57854
385 2HYV UAP SGN IDS SGN IDS 9.57854
386 3QVP FAD 9.57854
387 1B74 DGN 9.84252
388 1GV0 NAD 9.96169
389 9LDT NAD 9.96169
390 9LDB NAD 9.96169
391 5BRT FAD 9.96169
392 5BRT CH9 9.96169
393 2F5Z FAD 9.96169
394 3RNM FAD 9.96169
395 4C3Y FAD 9.96169
396 2XVM SAH 10.0503
397 1VM6 NAD 10.0877
398 4G5H UD7 10.3448
399 4G5H NAP 10.3448
400 1EBF NAD 10.3448
401 2QZZ EMF 10.3448
402 2QZZ NAP 10.3448
403 1PN0 FAD 10.3448
404 6FP4 FAD 10.3448
405 1PN0 IPH 10.3448
406 1O8B ABF 10.5023
407 3O5N BR0 10.7143
408 5MSO NAP 10.728
409 1NVM NAD 10.728
410 1YKJ FAD 10.728
411 1YKJ PHB 10.728
412 3QV1 NAD 10.9756
413 4R1S NAP 11.1111
414 3ORF NAD 11.1554
415 3QDV NDG 11.1888
416 3QDX CBS 11.1888
417 5XWV NDP 11.4919
418 5XWV 8H6 11.4919
419 1WDK NAD 11.4943
420 6BWL NAD 11.8774
421 3RFV NAI 11.8774
422 1SB8 NAD 11.8774
423 1SB8 UD2 11.8774
424 3RFV 15L 11.8774
425 4RSL FAD 11.8774
426 1LUA NAP 11.8774
427 4JK3 NAD 11.9691
428 2W5P CL8 12.0805
429 4HXY NDP 12.1005
430 2EXX NAP 12.2605
431 2HMT NAI 12.5
432 5T9F TYR 12.6437
433 5T9F NAP 12.6437
434 1KEW NAD 13.0268
435 1KEW TYD 13.0268
436 3G89 SAM 13.253
437 2D2I NAP 13.41
438 6DNT NAD 13.7931
439 5N2I NAP 13.7931
440 1U1I NAD 13.7931
441 4C4A SAH 13.7931
442 3CIF NAD 14.1762
443 3CIF G3H 14.1762
444 5X2N ALA 14.2222
445 1HDR NAD 14.3443
446 5Z75 NAD 14.5594
447 1SOW NAD 14.5594
448 1JAY NAP 14.6226
449 2DBZ NAP 14.6707
450 3KO8 NAD 14.9425
451 1CER NAD 15.1057
452 3A06 NDP 15.3257
453 1TE2 PGA 15.4867
454 4YEF 4CQ 15.7303
455 1ORR NAD 16.092
456 3LKZ SFG 16.4751
457 1UDB UFG 16.8582
458 1UDB NAD 16.8582
459 1HDG NAD 16.8582
460 3CGD FAD 16.8582
461 3CGD NAD 16.8582
462 3CGD COA 16.8582
463 4J36 FAD 16.8582
464 5MB4 NAG 16.8582
465 4J36 1HR 16.8582
466 4Q9N NAI 18.0077
467 1D7O TCL 18.0077
468 1D7O NAD 18.0077
469 2JHF NAD 18.0077
470 3WV8 ATP 18.3486
471 4O1M NAD 18.3908
472 1LLU NAD 18.3908
473 2DTJ THR 18.5393
474 1FK8 NAD 18.677
475 3ENV ABF 18.7234
476 3O26 NDP 18.7739
477 5L53 NAP 19.1571
478 4J1Q NDP 19.1571
479 1Z45 NAD 19.1571
480 6BII NAP 19.1571
481 5AOV NAP 19.5402
482 5TC4 NAD 19.5402
483 2DKN NAI 20
484 4TQG NDP 20.3065
485 2PZM UDP 20.6897
486 2PZM NAD 20.6897
487 5O98 NAP 21.8391
488 3OIG NAD 21.8391
489 3AD8 PYC 22.2222
490 3AD8 FAD 22.2222
491 3QFA FAD 22.4138
492 1R37 NAD 22.4784
493 5L4S 6KX 22.9885
494 5L4S NAP 22.9885
495 1U3U NAD 23.3716
496 1U3U BNF 23.3716
497 1WMA AB3 23.7548
498 1WMA NDP 23.7548
499 1N5D NDP 24.1379
500 1OC2 NAD 25.2874
501 1OC2 TDX 25.2874
502 2GAG FAD 26.2626
503 2GAG FOA 26.2626
504 4K26 SFF 29.1188
505 4K26 NDP 29.1188
506 4W6Z 8ID 29.8851
507 2PD4 NAD 31.0345
508 2PD4 DCN 31.0345
509 1SNY NAP 31.4176
510 5GT9 NAP 31.8008
511 4Y9D NAI 31.8008
512 3CH6 NAP 32.5671
513 3CH6 311 32.5671
514 1XSE NDP 32.9502
515 3RJ5 NAD 33.0709
516 4IXW IXW 33.0709
517 4U7W NDP 33.3333
518 3WXB NDP 34.0996
519 5WQP NAP 34.6154
520 5WQP NCA 34.6154
521 1NNU NAD 35
522 1NNU TCT 35
523 4YAG NAI 35.249
524 4YAC NAI 37.5479
525 5I7S E9P 38.6973
526 5I7S NAD 38.6973
527 1A27 NAP 39.0805
528 3HB5 NAP 39.0805
529 1QG6 TCL 40.9962
530 1QG6 NAD 40.9962
531 5CG1 NAD BBN 40.9962
532 4D42 W0I 41.3793
533 4D42 NAP 41.3793
534 4J7U YTZ 41.7625
535 4J7U NAP 41.7625
536 1Z6Z NAP 41.7625
537 2WYV NAD 41.7625
538 3OJF IMJ 42.4125
539 3OJF NDP 42.4125
540 1OAA OAA 42.471
541 2JAH NDP 42.5101
542 4ZU3 4SD 42.7313
543 3TN7 NJP 43.1907
544 2JAP NDP 43.7247
545 4O0L NDP 44
546 1GZ6 NAI 44.4444
547 3AI3 SOL 44.8276
548 4FC7 COA 45.5939
549 4FC7 NAP 45.5939
550 3GEG NAD 45.749
551 1XG5 NAP 45.977
552 1ZBQ NAD 45.977
553 5OVL NAP 46.3602
554 1W8D NAP 46.3602
555 1W73 NAP 46.3602
556 1H5Q NAP 47.1264
557 3V1U NAD 47.1264
558 2BD0 NAP 47.1311
559 1W6U NAP 47.5096
560 5G4L NDP 47.5096
561 3RKR NAP 47.5096
562 1W6U HXC 47.5096
563 3D3W NAP 47.541
564 3H4V DVP 47.8927
565 3H4V NAP 47.8927
566 3AFN NAP 48.062
567 1MXH DHF 48.2759
568 1MXH NAP 48.2759
569 2Q2V NAD 48.6275
570 3ZV6 NAD 48.659
571 3ZV6 4HB 48.659
572 5GWT NAD 49.0421
573 5GWT SIN 49.0421
574 3U4C NDP 49.0421
575 3VZS NAP 49.4163
576 3VZS CAA 49.4163
577 1U7T TDT 49.4253
578 1U7T NAD 49.4253
579 1BDB NAD 49.4253
580 5K6A NAP 49.4253
581 4CM9 NAP 49.4253
582 3BMN NAP 49.4253
583 5JDC NAP 49.4253
584 4CM8 NAP 49.4253
585 5JCJ NAP 49.4253
586 3BMO NAP 49.4253
587 4CMI NAP 49.4253
588 5JDI NAP 49.4253
589 4CLR NAP 49.4253
590 2WD7 NAP 49.4253
591 3JQ9 NAP 49.4253
592 4CM4 NAP 49.4253
593 3JQA NAP 49.4253
594 3JQF NAP 49.4253
595 3JQG NAP 49.4253
596 3BMQ NAP 49.4253
597 3JQ7 NAP 49.4253
598 4CLO NAP 49.4253
599 3JQB NAP 49.4253
600 4CME NAP 49.4253
601 3JQ8 NAP 49.4253
602 2VZ0 NAP 49.4253
603 2VZ0 D64 49.4253
604 5JDI 6JO 49.4253
605 5JCJ 6JM 49.4253
606 4CM9 YGL 49.4253
607 3JQ8 DX3 49.4253
608 4CME KTZ 49.4253
609 5K6A 6QT 49.4253
610 3JQ9 AX1 49.4253
611 4CMI M4V 49.4253
612 3BMO AX4 49.4253
613 2WD7 VGD 49.4253
614 4CM8 IZ9 49.4253
615 5JDC 6JP 49.4253
616 3JQ7 DX2 49.4253
617 3JQB DX6 49.4253
618 4CM4 4NR 49.4253
619 1UAY ADN 49.5868
Pocket No.: 2; Query (leader) PDB : 1GEE; Ligand: NAD; Similar sites found with APoc: 50
This union binding pocket(no: 2) in the query (biounit: 1gee.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZO7 K6H None
2 2FB3 MET 0.766284
3 5X20 NAD 1.91571
4 3A4T SFG 1.91571
5 3ICR FAD 1.91571
6 1K3A ACP 1.91571
7 2GDJ ANP 2.68199
8 2OWZ CIT 2.68199
9 3HAD NAD 2.68199
10 5Z21 NAI 2.68199
11 3EWA ANP 3.06513
12 1J5P NAD 3.55731
13 4J51 N75 3.83142
14 1DLJ UGA 3.83142
15 1DLJ NAI 3.83142
16 2EV9 NAP 4.18251
17 2EV9 SKM 4.18251
18 1SQF SAM 4.21456
19 2ZJ1 NAD 4.21456
20 2ZJ1 ARJ 4.21456
21 5MZI FYK 4.21456
22 5MZI FAD 4.21456
23 2BRY FAD 4.22535
24 1OMO NAD 4.5977
25 5THZ SAH 4.5977
26 3VYW SAM 4.5977
27 1P0F NAP 4.98084
28 4GUS FAD 4.98084
29 4LWP SAH 5.36398
30 5ERG SAM 5.36398
31 2JKG PRO PRO PRO PRO PRO PRO PRO PRO 5.58659
32 2OBF F83 5.74713
33 2OBF SAH 5.74713
34 4GGZ BTN 6.08696
35 3WLE NAD 6.13027
36 4LHD GLY 6.51341
37 5YB7 ORN 6.51341
38 5YB7 FAD 6.51341
39 3BP1 GUN 6.89655
40 2YAB AMP 8.42912
41 5J5Z FAD 9.96169
42 4UCI SAM 11.1111
43 4J4H NAI 11.9691
44 4J4H 1J1 11.9691
45 2CHT TSA 12.5984
46 1FQK ALF 12.9252
47 4RQU NAD 13.7931
48 2WEL K88 14
49 5MPT SAH 18.0077
50 3AB4 THR 18.5393
Pocket No.: 3; Query (leader) PDB : 1GEE; Ligand: NAD; Similar sites found with APoc: 32
This union binding pocket(no: 3) in the query (biounit: 1gee.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4MOP 2H5 1.91571
2 3LAD FAD 1.91571
3 3C8F MT2 2.04082
4 3X0V FAD 2.29885
5 5I39 FAD 3.06513
6 1RSG FAD 3.44828
7 5KMS NAD 3.44828
8 3GMB FAD 3.44828
9 2DKH FAD 3.83142
10 5HXI FAD 3.83142
11 5HXI 5HN 3.83142
12 3CTY FAD 3.83142
13 5EZ7 FAD 3.83142
14 5Y77 FAD 4.21456
15 2Y6Q I7T 4.5977
16 2Y6Q FAD 4.5977
17 1QO8 FAD 4.5977
18 4GUT FAD 4.98084
19 4FWE FAD 4.98084
20 4HSU FAD 4.98084
21 3LXD FAD 4.98084
22 5CAE SIN 5.74713
23 1RYI GOA 6.51341
24 1RYI FAD 6.51341
25 5J60 FAD 6.89655
26 1JNR FAD 8.66667
27 4FXQ G9L 9.96169
28 5ODQ FAD 10.3448
29 4K5S PM0 12.6437
30 4K5S FAD 12.6437
31 4AT0 FAD 14.5594
32 3CGB FAD 16.4751
Pocket No.: 4; Query (leader) PDB : 1GEE; 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: 4) in the query (biounit: 1gee.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1GEE; Ligand: NAD; Similar sites found with APoc: 20
This union binding pocket(no: 5) in the query (biounit: 1gee.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 2VSU ACO 1.91571
2 2IDO TMP 2.68817
3 2QBU SAH 3.01724
4 2JAJ D20 3.06513
5 3VSE SAH 3.06513
6 3K5X P8D 3.44828
7 1NW4 IMH 3.44828
8 5ULP KB1 4.21456
9 6MDE MEV 4.5977
10 1G55 SAH 4.5977
11 3ULK NDP 5.74713
12 5ZW3 SAH 5.77778
13 5CUQ NSC 6.51341
14 4FZV SAM 7.27969
15 4M38 SAH 7.66284
16 2AG8 NAP 8.04598
17 4RQL SNE 8.81226
18 2E5Y ATP 12.782
19 5E95 GDP 14.2857
20 3GWN FAD 14.9123
Pocket No.: 6; Query (leader) PDB : 1GEE; 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: 6) in the query (biounit: 1gee.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1GEE; Ligand: NAD; Similar sites found with APoc: 3
This union binding pocket(no: 7) in the query (biounit: 1gee.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1QHO MAL 1.91571
2 5VE5 GSH 3.06513
3 4DVE BTN 3.53535
Pocket No.: 8; Query (leader) PDB : 1GEE; 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: 8) in the query (biounit: 1gee.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1GEE; 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: 9) in the query (biounit: 1gee.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1GEE; 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: 10) in the query (biounit: 1gee.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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