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Receptor
PDB id Resolution Class Description Source Keywords
1DBV 2.5 Å EC: 1.2.1.12 GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE MUTANT WITH ASP 32 REPLACED BY GLY, LEU 187 REPLACED BY ALA, AND PRO 188 R EPLACED BY SER COMPLEXED WITH NAD+ GEOBACILLUS STEAROTHERMOPHILUS OXIDOREDUCTASE NAD(P) SELECTIVITY
Ref.: A CRYSTALLOGRAPHIC COMPARISON BETWEEN MUTATED GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASES FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH EITHER NAD+ OR NADP+. J.MOL.BIOL. V. 268 739 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD O:336;
P:336;
Q:336;
R:336;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 O:338;
O:339;
P:338;
P:339;
Q:338;
Q:339;
R:338;
R:339;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CMC 1.77 Å EC: 1.2.1.12 THIOACYLENZYME INTERMEDIATE OF BACILLUS STEAROTHERMOPHILUS PHOSPHORYLATING GAPDH BACILLUS STEAROTHERMOPHILUS MICROSPECTROPHOTOMETRY REACTION INTERMEDIATE DEHYDROGENASEPHOSPHATE BINDING SITE THIOACYLENZYME GLYCOLYSIS NAD OXIDOREDUCTASE
Ref.: TRAPPING OF THE THIOACYLGLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE INTERMEDIATE FROM BACILLUS STEAROTHER DIRECT EVIDENCE FOR A FLIP-FLOP MECHANISM J.BIOL.CHEM. V. 283 21693 2008
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2DBV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 4DBV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1NQA - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 3CMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1NQO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1NPT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1GD1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1NQ5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1CER - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1HDG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 5JYE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 5JY6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4QX6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1DSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 2D2I - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3L4S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 3LVF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 3LC1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 3K73 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 3KSD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3HQ4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3K9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3KV3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1ML3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 5LD5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3B20 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 4WNC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4O63 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 5UR0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 4Z0H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 3DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1NQA - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 3CMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1NQO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 1NPT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1GD1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 1NQ5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 1RM3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
32 1RM5 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
33 1RM4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
34 1VSV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1DC6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1GAE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 5ZA0 - TRE C12 H22 O11 C([C@@H]1[....
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1CER - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1HDG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 5JYE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 5JY6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4QX6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 3V1Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5C7O - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 3H9E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 3PFW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1SZJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1DSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 2D2I - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 3L4S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3LVF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3LC1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 3K73 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 3KSD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3HQ4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 3K9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 3KV3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1K3T ic50 = 64 uM BRZ C19 H22 O4 CC(C)(C=C)....
22 1ML3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 5LD5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 3B20 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 4O59 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1J0X Kd = 0.01 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1ZNQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 1U8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 4WNI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 4WNC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 4O63 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 5UR0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 4Z0H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 2DBV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
35 4DBV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
36 1DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 3DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 1NQA - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 3CMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 1NQO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 1NPT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1GD1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1NQ5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 2B4R - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 2B4T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 2PKR - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
47 1RM3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
48 1RM5 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
49 1RM4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50 3CIF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 1VSV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1GAD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 1DC6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1GAE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 5ZA0 - TRE C12 H22 O11 C([C@@H]1[....
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 : 3CMC; Ligand: NAD; Similar sites found with APoc: 666
This union binding pocket(no: 1) in the query (biounit: 3cmc.bio1) has 64 residues
No: Leader PDB Ligand Sequence Similarity
1 2GUC MAN None
2 2GUD MAN None
3 2NUO BGC None
4 4USR FAD 0.898204
5 3ICT ADP 1.1976
6 3ICS ADP 1.1976
7 1KEV NDP 1.1976
8 5X68 FAD 1.1976
9 6GAR FAD 1.1976
10 3ICS FAD 1.1976
11 3ICR FAD 1.1976
12 3ICT FAD 1.1976
13 6BWL NAD 1.21951
14 1EZ4 NAD 1.25786
15 2VOH CIT 1.27389
16 1P77 ATR 1.47059
17 3S5W FAD 1.49701
18 4XDZ NDP 1.49701
19 2GVC FAD 1.49701
20 3S5W NAP 1.49701
21 2GV8 NDP 1.49701
22 1VQW FAD 1.49701
23 5E4R NAP 1.49701
24 2GV8 FAD 1.49701
25 2ZXI FAD 1.49701
26 5BRT FAD 1.49701
27 3QJ4 FAD 1.49701
28 4E5N NAD 1.51515
29 3OID NDP 1.55039
30 3CTY FAD 1.5674
31 5AYV NAP 1.61812
32 5AYV KPL 1.61812
33 5OCM NAP 1.71821
34 3U4C NDP 1.77936
35 1XKQ NDP 1.78571
36 1GQ2 NAP 1.79641
37 2O4C NAD 1.79641
38 1GR0 NAD 1.79641
39 1TB4 PEJ 1.79641
40 4KVL PLM 1.79641
41 4TSK NDP 1.79641
42 2EG5 SAH 1.79641
43 3ETG NDP 1.79641
44 3ETG GLU 1.79641
45 3FG2 FAD 1.79641
46 2WET FAD 1.79641
47 2ZB3 NDP 1.79641
48 1RPN NDP 1.79641
49 5BSH PRO 1.80505
50 6BQ6 TER 1.81269
51 3FPZ AHZ 1.84049
52 3FUU ADN 1.84502
53 2PK3 A2R 1.86916
54 3LGS ADE 1.87266
55 2GDZ NAD 1.87266
56 5NM7 GLY 1.8797
57 4OSP NAP 1.90114
58 4OSP 2V4 1.90114
59 2YY7 NAD 1.92308
60 1X1T NAD 1.92308
61 3KO8 NAD 1.92308
62 5A96 GTP 2.00803
63 3B1F NAD 2.06897
64 3BMO NAP 2.08333
65 3JQF NAP 2.08333
66 3BMQ NAP 2.08333
67 3JQA NAP 2.08333
68 5JDI NAP 2.08333
69 5JDC NAP 2.08333
70 5JCJ NAP 2.08333
71 3JQ7 NAP 2.08333
72 4CM8 NAP 2.08333
73 4CLR NAP 2.08333
74 4CMI NAP 2.08333
75 4CM4 NAP 2.08333
76 3JQB NAP 2.08333
77 5K6A NAP 2.08333
78 3JQG NAP 2.08333
79 3JQ8 NAP 2.08333
80 3JQ9 NAP 2.08333
81 4CM9 NAP 2.08333
82 3BMN NAP 2.08333
83 4CME NAP 2.08333
84 4CLO NAP 2.08333
85 2JHP SAH 2.09581
86 5YU3 NAD 2.09581
87 5YU3 PRO 2.09581
88 3ULK NDP 2.09581
89 1BXK NAD 2.09581
90 6CEP NAD 2.09581
91 2C29 NAP 2.09581
92 1WPQ NAD 2.09581
93 2FR1 NDP 2.09581
94 6CEP OXM 2.09581
95 2HIM ASP 2.09581
96 2HIM ASN 2.09581
97 4R1S NAP 2.09581
98 5VZ0 2BA 2.09581
99 4OOE NDP 2.09581
100 5DOZ NDP 2.09581
101 2EJU SAH 2.09581
102 4PVD NDP 2.09581
103 4ZNO SUC 2.09581
104 4CNK FAD 2.09581
105 5M67 NAD 2.09581
106 5M67 ADE 2.09581
107 5M67 3D1 2.09581
108 9LDT NAD 2.10843
109 9LDB NAD 2.10843
110 5K0A FAD 2.12121
111 3ZV6 NAD 2.13523
112 5U5N NAD 2.15054
113 4O0L NDP 2.18182
114 3OA2 NAD 2.20126
115 5THQ NDP 2.20588
116 4O1M NAD 2.22222
117 3WMX NAD 2.23464
118 1FWV SGA MAG FUC 2.23881
119 2WD7 NAP 2.23881
120 3O26 NDP 2.2508
121 2AG8 NAP 2.28137
122 1DIG NAP 2.28758
123 1DIG L37 2.28758
124 5EPO NAP 2.29008
125 1YJQ NAP 2.31023
126 3Q3C NAD 2.34114
127 1PL6 NAD 2.39521
128 4R5M NAP 2.39521
129 1PL6 572 2.39521
130 6C4T NA7 2.39521
131 1KOL NAD 2.39521
132 4R5M 4NO 2.39521
133 5EOW FAD 2.39521
134 3CGB FAD 2.39521
135 4J1Q NDP 2.39521
136 2WSB NAD 2.39521
137 1UP7 NAD 2.39521
138 4D7E FAD 2.39521
139 1J49 NAD 2.4024
140 1O5I NAD 2.40964
141 5T2U NAP 2.41935
142 5WUW NAP 2.43902
143 1L1E SAH 2.43902
144 5G4L NDP 2.44755
145 1PR9 NAP 2.45902
146 3D3W NAP 2.45902
147 2A92 NAI 2.49221
148 1GZ6 NAI 2.50784
149 4ZRN NAD 2.5641
150 4RF2 NAP 2.57353
151 1GUZ NAD 2.58065
152 1ORR NAD 2.59366
153 2I6U CP 2.60586
154 5XVH NAP 2.61438
155 5L4L NAP 2.63158
156 4B4U NAP 2.64026
157 1O6Z NAD 2.64026
158 1W73 NAP 2.64901
159 1W8D NAP 2.64901
160 1W6U NAP 2.64901
161 2DTX BMA 2.65152
162 4NAE 1GP 2.66667
163 5OVL NAP 2.66667
164 2PV7 NAD 2.68456
165 4XB2 NDP 2.69461
166 1BW9 NAD 2.69461
167 1C1X NAD 2.69461
168 1BXG NAD 2.69461
169 5Z21 NAI 2.69461
170 4XB2 HSE 2.69461
171 1MUU NAD 2.69461
172 1F8G NAD 2.69461
173 2Y6Q FAD 2.69461
174 5NUF NAD 2.69461
175 5NUE NAD 2.69461
176 6C4M NAP 2.69461
177 4W6Z 8ID 2.69461
178 1YKJ FAD 2.69461
179 1Y1P NMN AMP PO4 2.69461
180 1R37 NAD 2.69461
181 1YB5 NAP 2.69461
182 1XHC FAD 2.69461
183 4RSL FAD 2.69461
184 4KQW NAP 2.69461
185 1L7E NAI 2.69461
186 1XHL NDP 2.69461
187 5G3U FDA 2.69461
188 5ZBC FAD 2.69461
189 3BAZ NAP 2.7027
190 3AFN NAP 2.71318
191 1D4O NAP 2.71739
192 5GWT NAD 2.8777
193 5GWT SIN 2.8777
194 1UAY ADN 2.89256
195 4ITU NAI 2.97398
196 1PJS NAD 2.99401
197 3GFB NAD 2.99401
198 5Z20 NAI 2.99401
199 1HKU NAD 2.99401
200 1MV8 NAD 2.99401
201 1GZ4 ATP 2.99401
202 5CAE COA 2.99401
203 5VN0 NAI 2.99401
204 6EL3 NAP 2.99401
205 2V6G NAP 2.99401
206 1SAY PYR 2.99401
207 4XDY NAI 2.99401
208 6AIN FAD 2.99401
209 5CAE SIN 2.99401
210 3WLE NAD 2.99401
211 3IHG FAD 2.99401
212 5JWC FAD 2.99401
213 1WVG APR 2.99401
214 5VN0 FAD 2.99401
215 3LU1 NAD 2.99401
216 5MLR NAP 2.99401
217 3RFV 15L 2.99625
218 3RFV NAI 2.99625
219 1V6A TRE 3.01205
220 2CUL FAD 3.01724
221 1ZEM NAD 3.05344
222 1E3W NAD 3.06513
223 1E6W NAD 3.07692
224 3JYN NDP 3.07692
225 5ZW3 SAH 3.11111
226 1A27 NAP 3.11419
227 5OVK NDP 3.125
228 1J5P NAD 3.16206
229 4E13 NAD 3.18021
230 3ORF NAD 3.18725
231 3DXY SAM 3.21101
232 2EWM NAD 3.21285
233 3K5I AIR 3.22581
234 1XG5 NAP 3.22581
235 2B4Q NAP 3.26087
236 1YKF NAP 3.29341
237 5H81 NAP 3.29341
238 1LJ8 NAD 3.29341
239 4EUE NAI 3.29341
240 2GSD NAD 3.29341
241 4JBI NDP 3.29341
242 3V1U NAD 3.29341
243 2QA1 FAD 3.29341
244 3AXB FAD 3.29341
245 1M2W NAD 3.29341
246 2X6T NAP 3.29341
247 3G5S FAD 3.29341
248 1RM0 NAI 3.29341
249 4ZCC FAD 3.29341
250 3QVP FAD 3.29341
251 3AXB PRO 3.29341
252 1JAY NAP 3.30189
253 6F9Q NAD 3.30882
254 5N6C NAD 3.33333
255 2GCG NDP 3.33333
256 2HNK SAH 3.34728
257 1VL8 NAP 3.37079
258 1U7T NAD 3.44828
259 1U7T TDT 3.44828
260 1WP4 NDP 3.46021
261 2CVZ NDP 3.46021
262 1NFQ NAI 3.46154
263 2AE2 NAP 3.46154
264 2AE2 PTO 3.46154
265 5TC4 NAD 3.48101
266 1LUA NAP 3.48432
267 5N5D SAM 3.53982
268 4FN4 NAD 3.54331
269 4D3F NAP 3.54839
270 1EQ2 NAP 3.54839
271 3WXB NDP 3.58423
272 1V59 NAD 3.59281
273 1O0S NAI 3.59281
274 2DBZ NAP 3.59281
275 5DN9 NAD 3.59281
276 1D1T NAD 3.59281
277 1SC6 NAD 3.59281
278 1LLU NAD 3.59281
279 4XYB NDP 3.59281
280 2NAD NAD 3.59281
281 5VKT NAP 3.59281
282 5NMX FAD 3.59281
283 1Z82 NDP 3.59281
284 3LZW FAD 3.61446
285 1UZN NAP 3.64372
286 5Y1G NAD 3.65854
287 5Y1G AKB 3.65854
288 3WV8 ATP 3.66972
289 5D4V SAH 3.73134
290 5Z2F NAP 3.77358
291 4NTD FAD 3.82353
292 2ZAT NAP 3.84615
293 3LXD FAD 3.85542
294 4ZGS NAD 3.89222
295 5AOV NAP 3.89222
296 1LVL NAD 3.89222
297 4RQU NAD 3.89222
298 1E5Q NDP 3.89222
299 5ZI2 ADP 3.89222
300 2B5W NAP 3.89222
301 5ZI2 NAD 3.89222
302 2CDC NAP 3.89222
303 2CDC XYS 3.89222
304 2CDC XYP 3.89222
305 5DP2 NAP 3.89222
306 2XVF FAD 3.89222
307 2YX1 SFG 3.89222
308 3OND ADN 3.89222
309 3OND NAD 3.89222
310 6BII NAP 3.9039
311 4XZ3 COA 3.91304
312 2Q46 NAP 3.95257
313 4D79 ATP 3.98551
314 4NBU NAI 4
315 5UAV NDP 4.03727
316 5UAV TFB 4.03727
317 5U5G NAP 4.0678
318 1A5Z NAD 4.07523
319 1LDN NAD 4.11392
320 3GGO NAI 4.14013
321 3GGO ENO 4.14013
322 1W2D ADP 4.15094
323 5HWK BEZ 4.16667
324 2CDU ADP 4.19162
325 1EBF NAD 4.19162
326 1X14 NAD 4.19162
327 1H2B NAJ 4.19162
328 4II2 ATP 4.19162
329 1V8B NAD 4.19162
330 4TXI FAD 4.19162
331 4RF7 ARG 4.19162
332 1PS9 NAP 4.19162
333 2BRY FAD 4.19162
334 3GMB FAD 4.19162
335 2CDU FAD 4.19162
336 4JJF FE9 4.19162
337 4U7W NDP 4.19162
338 4JJF N2I 4.19162
339 5EJ2 NAD 4.22078
340 1LDM NAD 4.25532
341 2RI1 GLP 4.25532
342 2O07 MTA 4.27632
343 5J60 FAD 4.375
344 3GRU AMP 4.40678
345 3H8V ATP 4.45205
346 4DPL NAP 4.45682
347 3AY6 NAI 4.46097
348 5FEU NAP 4.46735
349 4BVA NDP 4.47761
350 4BVA T3 4.47761
351 5OFW 9TW 4.4843
352 3NJ4 NAD 4.49102
353 3DAG FEG 4.49102
354 5TUK FAD 4.49102
355 5GSN FAD 4.49102
356 1N9G NAP 4.49102
357 1OBB NAD 4.49102
358 3AB1 FAD 4.49102
359 5KMS FAD 4.49102
360 4KOA NDP 4.5045
361 1HDR NAD 4.5082
362 5ZI9 FLC 4.61538
363 2G5C NAD 4.62633
364 6A3J NAI 4.63415
365 6A3J SOE 4.63415
366 2BGM NAJ 4.67626
367 1K4M CIT 4.69484
368 4JZ8 CIT 4.73186
369 5N2I NAP 4.74138
370 1AE1 NAP 4.7619
371 1X87 NAD 4.79042
372 1CDO NAD 4.79042
373 3LN9 FLC 4.79042
374 3GD4 NAD 4.79042
375 5YAP NAI 4.79042
376 5YAP 8S0 4.79042
377 2J5V PCA 4.79042
378 4WES HCA 4.79042
379 4A0S NAP 4.79042
380 3GD4 FAD 4.79042
381 4EIP FAD 4.79042
382 2IVD FAD 4.79042
383 5HSA FAS 4.79042
384 1RYI FAD 4.79042
385 4PLT NAI 4.83384
386 4PLT OXM 4.83384
387 1GV0 NAD 4.83871
388 1FL2 FAD 4.83871
389 1UXG NAD 4.85437
390 1UXG FUM 4.85437
391 4RDH AMP 4.86111
392 4RDI ATP 4.86111
393 1SNY NAP 4.86891
394 3OIG NAD 4.88722
395 5Z75 NAD 4.89297
396 1ZQ9 SAM 4.91228
397 1RP0 AHZ 4.92958
398 3DUW SAH 4.93274
399 2EV9 SKM 4.94297
400 2EV9 NAP 4.94297
401 5A3B APR 4.9505
402 4YAC NAI 5.05051
403 1BDB NAD 5.05415
404 1FK8 NAD 5.05837
405 5FFF NAP 5.05837
406 1X7D NAD 5.08982
407 3EF0 ALF 5.08982
408 1X7D ORN 5.08982
409 1VKO NAD 5.08982
410 5MQ6 NDP 5.08982
411 4YT4 FE9 5.08982
412 5A04 NDP 5.08982
413 5UAO FAD 5.08982
414 5A04 BGC 5.08982
415 3QWB NDP 5.08982
416 1Q1R FAD 5.08982
417 5X20 NAD 5.12821
418 5N53 8NB 5.12821
419 3O03 NAP 5.15464
420 5NII FAD 5.17799
421 5AX9 4KT 5.19481
422 2BD0 NAP 5.32787
423 5OJL TXP 5.36913
424 2YYY NAP 5.38922
425 1DJN ADP 5.38922
426 6F3M NAD 5.38922
427 1P0F NAP 5.38922
428 2I3G NAP 5.38922
429 3H5N ATP 5.38922
430 1P31 EPU 5.38922
431 1Z45 NAD 5.38922
432 5FI3 NAP 5.38922
433 1P3D UMA 5.38922
434 5KVA SAM 5.39568
435 4NBT NAD 5.41667
436 5Y8L HUI 5.42373
437 5Y8L NAD 5.42373
438 1LC3 NAD 5.44218
439 1B8U NAD 5.47112
440 1JA9 NDP 5.47445
441 4ZA2 NAD 5.5336
442 5T9E NAP 5.53506
443 5T9F NAP 5.53506
444 5T9F TYR 5.53506
445 1EJ0 SAM 5.55556
446 2CFC NAD 5.6
447 3C1O NAP 5.60748
448 5K4W NAI 5.60748
449 5K4W THR 5.60748
450 4CJX NAP 5.64263
451 2NVK NAP 5.68862
452 3L9W AMP 5.68862
453 1YS4 NAP 5.68862
454 3L9W GSH 5.68862
455 5MSO NAP 5.68862
456 4USQ FAD 5.68862
457 1U3U NAD 5.68862
458 1U3U BNF 5.68862
459 4Q9N NAI 5.7047
460 6A0S HSE 5.72289
461 6A0S NDP 5.72289
462 1EDO NAP 5.7377
463 5KKA 6V0 5.76923
464 3NGL NAP 5.7971
465 1ZBQ NAD 5.8104
466 1ML4 PAL 5.84416
467 3ICC NAP 5.88235
468 4YAG NAI 5.88235
469 1ZGA SAH 5.88235
470 1OMO NAD 5.90062
471 5WQP NAP 5.98291
472 3OJO NAD 5.98802
473 3KB6 NAD 5.98802
474 2IXB NAD 5.98802
475 1NVT NAP 5.98802
476 4K5S FAD 5.98802
477 2IXB A2G 5.98802
478 1ZH8 NAP 5.98802
479 5TUF FAD 5.98802
480 3TKY SAH 5.98802
481 1G0N NDP 6.00707
482 1G0N PHH 6.00707
483 4URF NAD 6.04839
484 2JK0 ASP 6.15385
485 2JL1 NAP 6.27178
486 3KLJ FAD 6.28743
487 4AF0 MOA 6.28743
488 4PLG NAI 6.28743
489 4PLG OXM 6.28743
490 5KVS NAP 6.28743
491 5NA1 FAD 6.28743
492 1T26 NAI 6.28743
493 1T26 GBD 6.28743
494 3NTD FAD 6.28743
495 1SOW NAD 6.40244
496 3VPH NAD 6.45161
497 3VPH OXM 6.45161
498 4OM8 NAD 6.47249
499 1E7S NAP 6.54206
500 1F06 NDP 6.5625
501 1F06 2NP 6.5625
502 5O4J PJL 6.56934
503 5O4J SAH 6.56934
504 5O4J 9KH 6.56934
505 5X9D 80F 6.57895
506 3R7F CP 6.57895
507 1RJW ETF 6.58683
508 3ABI NAD 6.58683
509 3A06 NDP 6.58683
510 1Y8Q ATP 6.58683
511 2QZZ NAP 6.60377
512 3TN7 NJP 6.61479
513 1VI2 NAD 6.66667
514 5YEC ATP 6.72269
515 4YCA NDP 6.80272
516 1I36 NAP 6.81818
517 3MAG SAH 6.84039
518 4Y9D NAI 6.88525
519 2DFV NAD 6.88623
520 4XQC NAD 6.88623
521 2IZ1 ATR 6.88623
522 4XQC 13D 6.88623
523 6DNT NAD 6.88623
524 4B7X NAP 6.88623
525 1NM5 NAD 6.89655
526 5O98 NAP 6.94006
527 1NPD NAD 6.94444
528 6AA8 NAD 6.95364
529 1DRV A3D 6.95971
530 2DKN NAI 7.05882
531 2Q2V NAD 7.05882
532 3MCT SAH 7.07071
533 2J0B UDP 7.14286
534 3TWO NDP 7.18563
535 4PIV NDP 7.18563
536 5JAQ NAI 7.18563
537 3NUG NAD 7.28745
538 3A28 NAD 7.36434
539 4CQM NAP 7.37705
540 1Q7B NAP 7.37705
541 2Q7V FAD 7.38462
542 4TQG NDP 7.43034
543 5Y77 FAD 7.48503
544 3AD8 NAD 7.48503
545 5I39 FAD 7.48503
546 2GAG NAD 7.48503
547 4BV6 FAD 7.50507
548 2Q1W NAD 7.50751
549 3SJU NDP 7.52688
550 5GT9 NAP 7.60456
551 5JE8 NAD 7.61589
552 4UP3 NDP 7.64331
553 2CVQ NDP 7.64526
554 5Z2L NDP 7.7551
555 1VJT NAD 7.78443
556 6C4N NAP 7.7951
557 1O94 ADP 7.95455
558 1NVM NAD 8.01282
559 2OOR NAD 8.04598
560 1GEE NAD 8.04598
561 1E3I CXF 8.08383
562 2NU8 COA 8.08383
563 1KJ8 GAR 8.08383
564 6CI9 NAP 8.10811
565 2AHR NAP 8.10811
566 5GZ6 NDP 8.28221
567 5GZ6 7C3 8.28221
568 3WBF NAP 8.38323
569 2VHW NAI 8.38323
570 3WBF API 8.38323
571 2RGJ FAD 8.38323
572 1KYQ NAD 8.39416
573 1HYH NAD 8.41424
574 6GAS FAD 8.45921
575 5EES NAP 8.50202
576 2JAH NDP 8.50202
577 2JAP NDP 8.50202
578 2DT5 NAD 8.53081
579 1P1C SAH 8.54271
580 3CBG SAH 8.62069
581 1HYE NAP 8.6262
582 2Q0L NAP 8.68167
583 2Q0L FAD 8.68167
584 1NYT NAP 8.85609
585 4GKV NAD 8.92857
586 1F8F NAD 8.98204
587 1IY8 NAD 8.98876
588 5F5N NAD 8.99654
589 1H5Q NAP 9.0566
590 5A1T NAI 9.09091
591 5A1T OXM 9.09091
592 5ZZ6 ADP 9.13461
593 5ZZ6 NAD 9.13461
594 3QWI NAP 9.25926
595 3QWI CUE 9.25926
596 1WDK NAD 9.28144
597 4MP8 NAD 9.28144
598 4MP8 MLI 9.28144
599 2DKH FAD 9.28144
600 1LTH NAD 9.40439
601 2HJR APR 9.45122
602 3SJ7 NDP 9.52381
603 4HXY NDP 9.58084
604 3X0D SAH 9.58084
605 1PZG A3D 9.66767
606 2F1K NAP 9.67742
607 2HMT NAI 9.72222
608 2VT3 ATP 9.76744
609 2HK9 ATR 9.81818
610 2HK9 NAP 9.81818
611 1QMG APX 9.88024
612 2GLX NDP 9.93976
613 2YVJ NAI 10.0917
614 4MDH NAD 10.1796
615 6FHO FAD 10.1796
616 5MDH NAD 10.2102
617 4IDC NDP 10.241
618 4IDC 1XX 10.241
619 1VL0 NAI 10.274
620 3A4V PYR 10.4101
621 3A4V NAD 10.4101
622 4POO SAM 10.5
623 2AOT SAH 10.6164
624 5LOG SAH 10.7296
625 4L8V NAP 10.7784
626 1U1I NAD 10.7784
627 4YSX MLI 10.7784
628 4JK3 NAD 10.8108
629 5B4T 3HR 11.1538
630 5B4T NAD 11.1538
631 4J4H NAI 11.1969
632 4J4H 1J1 11.1969
633 5YSS NAD 11.3281
634 5W3K 9TY 11.3772
635 5W3K NDP 11.3772
636 4GLL NAD 11.3772
637 4RVU NDP 11.4458
638 3H4V NAP 11.8056
639 1GY8 NAD 11.976
640 4Y1B NAP 11.976
641 1LSS NAD 12.1429
642 4NBW NAD 12.8405
643 4YMH SAH 12.9167
644 5OJI NAP 13.0769
645 5OJI ISN 13.0769
646 1YQD NAP 13.1737
647 3MB5 SAM 13.3333
648 3SSO SAH 13.4731
649 2AG5 NAD 13.8211
650 1GEG NAD 14.0625
651 4X9M FAD 14.0719
652 4XUC 43G 14.2202
653 4XUC SAM 14.2202
654 3VYW SAM 14.2857
655 1JG3 ADN 14.4681
656 5EZ7 FAD 14.9701
657 5LQ8 GB 15.2482
658 2GZ3 NAP 15.5689
659 4J36 FAD 16.1677
660 1C3V NDP 16.7347
661 5ZEC NAP 16.7665
662 2DC1 NAD 17.7966
663 5EIN NAP 18.5185
664 1VM6 NAD 22.3684
665 5L95 AMP 25
666 1E6E FAD 25
Pocket No.: 2; Query (leader) PDB : 3CMC; Ligand: NAD; Similar sites found with APoc: 15
This union binding pocket(no: 2) in the query (biounit: 3cmc.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z6Z NAP 1.77305
2 3GEG NAD 2.02429
3 3VZS NAP 2.33463
4 1DJL NAP 2.41546
5 3C7A NAD 2.69461
6 2EFX NFA 2.69461
7 4A8T PAO 2.69461
8 1SFF IK2 2.69461
9 2B6N ALA PRO THR 3.23741
10 1O5Q PYR 3.93443
11 6ACS CIT 4.26357
12 3X01 AMP 5.38922
13 2ZFU SAH 6.51163
14 2BMB PMM 7.78443
15 2O66 FLC 10.3704
Pocket No.: 3; Query (leader) PDB : 3CMC; Ligand: NAD; Similar sites found with APoc: 14
This union binding pocket(no: 3) in the query (biounit: 3cmc.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
1 1KNY KAN 1.58103
2 4CNK MEU 2.09581
3 4BG4 ARG 2.39521
4 4BHL ARG 2.39521
5 5GUD 2IT 2.39521
6 5BUK FAD 2.69461
7 5WGR FAD 2.99401
8 4TVD BGC 3.29341
9 5BW4 SAM 4.11985
10 4X1B MLI 4.49102
11 5GSN NAP 4.49102
12 2YVJ FAD 10.0917
13 1QH8 HCA 11.0778
14 4R78 AMP 14.8867
Pocket No.: 4; Query (leader) PDB : 3CMC; Ligand: NAD; Similar sites found with APoc: 5
This union binding pocket(no: 4) in the query (biounit: 3cmc.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y6Q I7T 2.69461
2 5EVY FAD 3.29341
3 4YJK URA 3.57143
4 4NTC FAD 9.28144
5 3U31 NAD 10.6897
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