-->
Receptor
PDB id Resolution Class Description Source Keywords
2ZTM 2.3 Å EC: 1.1.1.30 T190S MUTANT OF D-3-HYDROXYBUTYRATE DEHYDROGENASE PSEUDOMONAS FRAGI SHORT CHAIN DEHYDROGENASE REDACTASE SDR FAMILY NAD NADH HBDH OXIDOREDUCTASE
Ref.: CLOSED COMPLEX OF THE D-3-HYDROXYBUTYRATE DEHYDROGENASE INDUCED BY AN ENANTIOMERIC COMPETITIVE INHIBITOR. J.BIOCHEM. V. 145 467 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3HL A:301;
Valid;
none;
submit data
104.105 C4 H8 O3 C[C@@...
MG A:406;
B:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
NAD A:300;
C:300;
D:300;
Valid;
Valid;
Valid;
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
1X1T 1.52 Å EC: 1.1.1.30 CRYSTAL STRUCTURE OF D-3-HYDROXYBUTYRATE DEHYDROGENASE FROM PSEUDOMONAS FRAGI COMPLEXED WITH NAD+ PSEUDOMONAS FRAGI NAD NADH SDR SHORT CHAIN DEHYDROGENASE KETONE BODY BETAHYDROXYBUTYRATE OXIDOREDUCTASE
Ref.: D-3-HYDROXYBUTYRATE DEHYDROGENASE FROM PSEUDOMONAS MOLECULAR CLONING OF THE ENZYME GENE AND CRYSTAL ST OF THE ENZYME J.MOL.BIOL. V. 355 722 2006
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5YSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
10 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
12 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
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: 3HL; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 3HR 1 1
2 3HL 1 1
3 IVA 0.631579 0.611111
4 3HG 0.55 0.7
5 MLT 0.5 0.666667
6 LMR 0.5 0.666667
7 DMR 0.5 0.666667
8 GVM 0.444444 0.666667
9 2RH 0.416667 0.666667
10 ICT 0.407407 0.608696
Ligand no: 2; 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 : 1X1T; Ligand: NAD; Similar sites found with APoc: 590
This union binding pocket(no: 1) in the query (biounit: 1x1t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1LSS NAD None
2 1OUW MLT None
3 1PTR PRB None
4 5C2N NAG None
5 1BWO LPC None
6 5OOH NAP 0.970874
7 5OOH 9ZZ 0.970874
8 5YBL AKG 1.15385
9 1ZGA SAH 1.15385
10 3KO8 NAD 1.53846
11 1V6A TRE 1.53846
12 4ZVV NAD 1.53846
13 9LDT NAD 1.53846
14 9LDB NAD 1.53846
15 4ZVV GN0 1.53846
16 1LDM NAD 1.53846
17 6CEP NAD 1.53846
18 6CEP OXM 1.53846
19 4MJ0 SIA SIA 1.53846
20 2WW4 ADP 1.53846
21 4MJ0 SIA SIA GAL 1.53846
22 2RI1 GLP 1.70213
23 2HJR APR 1.92308
24 1HYE NAP 1.92308
25 2F1K NAP 1.92308
26 5LD5 NAD 1.92308
27 3B20 NAD 1.92308
28 2JHP SAH 1.92308
29 2D2I NAP 1.92308
30 3CMC NAD 1.92308
31 3B1J NAD 1.92308
32 1HDG NAD 1.92308
33 1T26 NAI 1.92308
34 1T26 GBD 1.92308
35 1DSS NAD 1.92308
36 3CIF NAD 1.92308
37 3H9E NAD 1.92308
38 4Z0H NAD 1.92308
39 1RM4 NDP 1.92308
40 1TUU ADP 1.92308
41 2EG5 SAH 1.92308
42 3O8M BGC 1.92308
43 3O8M GLC 1.92308
44 4RLQ 3SK 1.92308
45 1WOG 16D 1.92308
46 3CIF G3H 1.92308
47 5AOV NAP 1.92308
48 6GKV SAH 1.92308
49 3VPQ GSH 1.96078
50 1EJ0 SAM 2.22222
51 4PVD NDP 2.30769
52 1EQ2 NAP 2.30769
53 5DF1 NAP 2.30769
54 5DF1 58X 2.30769
55 3H8V ATP 2.30769
56 1PL6 NAD 2.30769
57 3ICS ADP 2.30769
58 3C1O NAP 2.30769
59 5OCQ CIT 2.30769
60 3ICT ADP 2.30769
61 4YCA NDP 2.30769
62 4KOA NDP 2.30769
63 1CZA GLC 2.30769
64 3KB6 NAD 2.30769
65 1RJD SAM 2.30769
66 3EBL GA4 2.30769
67 4QS9 BGC 2.30769
68 3RUV ANP 2.30769
69 1WK8 VMS 2.57732
70 6DNT NAD 2.69231
71 1RPN NDP 2.69231
72 1SB8 NAD 2.69231
73 2C5A GDC 2.69231
74 2C5A NAD 2.69231
75 1SB8 UD2 2.69231
76 6C4N NAP 2.69231
77 1OFL ASG GCD 2.69231
78 3A06 NDP 2.69231
79 2UYQ SAM 2.69231
80 3L4S NAD 2.69231
81 1EZ4 NAD 2.69231
82 3L4S 3PG 2.69231
83 4MZU TDR 2.69231
84 5LKC FUC GLA A2G 2.69231
85 1FP1 SAH 2.69231
86 2RHO GDP 2.69231
87 1Q0H NDP 2.69231
88 5U5G NAP 2.69231
89 5KZD RCJ 2.69231
90 4B5W PYR 2.73438
91 3WV8 ATP 2.75229
92 1UKG MMA 2.77778
93 1TL2 NDG 2.9661
94 5L4L NAP 3.07692
95 3A4V PYR 3.07692
96 3A4V NAD 3.07692
97 2X6T NAP 3.07692
98 5L4L 7OX 3.07692
99 1I36 NAP 3.07692
100 4D79 ATP 3.07692
101 5T96 79J 3.07692
102 4RDH AMP 3.07692
103 1UXG NAD 3.07692
104 1UXG FUM 3.07692
105 1YS4 NAP 3.07692
106 1NSA BEN 3.07692
107 5OCM NAP 3.07692
108 1PZG A3D 3.07692
109 6A0S HSE 3.07692
110 6A0S NDP 3.07692
111 1H3F TYE 3.07692
112 4RDI ATP 3.07692
113 5TC4 NAD 3.07692
114 1U1J MET 3.07692
115 4LHD GLY 3.07692
116 4E5N NAD 3.07692
117 2QZZ EMF 3.07692
118 2QZZ NAP 3.07692
119 1P31 EPU 3.07692
120 2CVQ NDP 3.07692
121 3QVP FAD 3.07692
122 3A3B RBF 3.15789
123 1P19 IMP 3.16742
124 2D3Y DU 3.19635
125 2HK9 ATR 3.27273
126 2GZ3 NAP 3.27869
127 6DWI HD4 3.29218
128 1E7S NAP 3.46154
129 3RFV NAI 3.46154
130 1VL0 NAI 3.46154
131 3RFV 15L 3.46154
132 2PK3 A2R 3.46154
133 2J5B TYE 3.46154
134 1KYQ NAD 3.46154
135 4BG4 ARG 3.46154
136 1I7E IBS 3.46154
137 5NUF NAD 3.46154
138 3OJO NAD 3.46154
139 5NUE NAD 3.46154
140 5XNC MTA 3.46154
141 5G6U TRP 3.46154
142 1HYH NAD 3.46154
143 2WA2 SAM 3.46154
144 4BHL ARG 3.46154
145 4CP8 MLI 3.46154
146 2B4R NAD 3.46154
147 5EIN NAP 3.46154
148 5C3R HMU 3.46154
149 5C3R AKG 3.46154
150 5FAG PPI 3.46154
151 2B4R AES 3.46154
152 2CDU ADP 3.46154
153 5X9D 80F 3.46154
154 2B5W NAP 3.46154
155 4POO SAM 3.5
156 2VT3 ATP 3.72093
157 5UR0 NAD 3.72493
158 1DEK DGP 3.73444
159 5N0L ILE 3.77358
160 4P86 5GP 3.82514
161 6BWL NAD 3.84615
162 2Q1W NAD 3.84615
163 1GUZ NAD 3.84615
164 1PJS NAD 3.84615
165 1GAD NAD 3.84615
166 4R5M NAP 3.84615
167 5OJL TXP 3.84615
168 3BAZ NAP 3.84615
169 3O7W SAM 3.84615
170 2V7B BEZ 3.84615
171 5Z20 NAI 3.84615
172 4XQC NAD 3.84615
173 4XQC 13D 3.84615
174 1RM0 NAI 3.84615
175 4R5M 4NO 3.84615
176 1RM0 D6P 3.84615
177 1LLU NAD 3.84615
178 4DPL NAP 3.84615
179 2B3B BGC 3.84615
180 4JK3 NAD 3.861
181 4PLG OXM 3.89222
182 4PLG NAI 3.89222
183 2Q46 NAP 3.95257
184 4U36 TNR 4.16667
185 5BJX NAD 4.23077
186 5JAQ NAI 4.23077
187 5BJX UDP 4.23077
188 5X2N ALA 4.23077
189 3GGO NAI 4.23077
190 3GGO ENO 4.23077
191 4D3F NAP 4.23077
192 2G5C NAD 4.23077
193 2GDJ ANP 4.23077
194 3O9Z AKG 4.23077
195 3O9Z NAD 4.23077
196 4M1U A2G MBG 4.28571
197 1I2B NAD 4.45545
198 1I2B USQ 4.45545
199 1I2B UPG 4.45545
200 4TQG NDP 4.61538
201 1KEW NAD 4.61538
202 1KEW TYD 4.61538
203 4ZGS NAD 4.61538
204 1R6D NAD 4.61538
205 1R6D DAU 4.61538
206 3OA2 NAD 4.61538
207 5FBK TCR 4.61538
208 1FEC FAD 4.61538
209 2DC1 NAD 4.66102
210 1SC6 NAD 4.70297
211 4XZ3 COA 4.78261
212 4JCA CIT 4.79042
213 3G89 SAM 4.81928
214 5ZEC NAP 5
215 2EXX NAP 5
216 5MDH NAD 5
217 2A92 NAI 5
218 1O6Z NAD 5
219 4MDH NAD 5
220 5KVS NAP 5
221 1E1M FAD 5
222 1E1M NAP 5
223 1VM6 NAD 5.26316
224 5O96 SAM 5.30612
225 4R1S NAP 5.38462
226 1RKX NAD 5.38462
227 6EL3 NAP 5.38462
228 4EUE NAI 5.38462
229 5IN4 6CK 5.38462
230 5IN4 GDP 5.38462
231 5IN4 NAP 5.38462
232 3B1F NAD 5.38462
233 1RJW ETF 5.38462
234 5A1T NAI 5.38462
235 1ZQ9 SAM 5.38462
236 1TI7 NAP 5.38462
237 5ERG SAM 5.38462
238 5JIL 6KL 5.38462
239 5TE1 7A2 5.38462
240 5A1T OXM 5.38462
241 3VYW SAM 5.38462
242 1BW9 NAD 5.38462
243 1C1X NAD 5.38462
244 1BZL FAD 5.38462
245 1BXG NAD 5.38462
246 1AX2 NDG GAL 5.43933
247 3HCH RSM 5.47945
248 2HMT NAI 5.55556
249 5N2I NAP 5.60345
250 5EES NAP 5.66802
251 1HDR NAD 5.7377
252 1BXK NAD 5.76923
253 3I6I NDP 5.76923
254 5ZZ6 ADP 5.76923
255 5E9W SAH 5.76923
256 1F8G NAD 5.76923
257 4ZNO SUC 5.76923
258 1X87 NAD 5.76923
259 5E8J SAH 5.76923
260 5ZZ6 NAD 5.76923
261 5LUB 3Y7 5.76923
262 1MUU NAD 5.76923
263 1L7E NAI 5.76923
264 5T9F NAP 5.76923
265 5A1S FLC 5.76923
266 5T9F TYR 5.76923
267 1MV8 NAD 5.76923
268 2D2F ADP 6
269 1LOB MMA 6.07735
270 1ORR NAD 6.15385
271 3WMX NAD 6.15385
272 2JL1 NAP 6.15385
273 1KYZ SAH 6.15385
274 2HYV UAP SGN IDS SGN IDS 6.15385
275 1EBF NAD 6.15385
276 4CJX NAP 6.15385
277 5JE8 NAD 6.15385
278 1I7Q PYR 6.21762
279 5L95 AMP 6.25
280 3ZVS MLI 6.25
281 2XVM SAH 6.53266
282 1A5Z NAD 6.53846
283 1LTH NAD 6.53846
284 1WDK NAD 6.53846
285 1X14 NAD 6.53846
286 1UWK NAD 6.53846
287 1UWK URO 6.53846
288 4II2 ATP 6.53846
289 1D1T NAD 6.53846
290 2BKA NDP 6.61157
291 5KAX RHQ 6.62651
292 4U7W NDP 6.90476
293 5ZI2 NAD 6.92308
294 5ZI2 ADP 6.92308
295 4FBL SPD 6.92308
296 1O0S NAI 6.92308
297 2NU8 COA 6.92308
298 5YAP NAI 6.92308
299 5YAP 8S0 6.92308
300 1U29 I3P 6.97674
301 5Y8L NAD 7.11864
302 2GNK ATP 7.14286
303 4OM8 NAD 7.30769
304 2WPB ZZI 7.30769
305 6C4T NA7 7.30769
306 2PV7 NAD 7.30769
307 6BII NAP 7.30769
308 1E5Q NDP 7.30769
309 1B8U NAD 7.30769
310 4GKV NAD 7.30769
311 5CAE COA 7.30769
312 2VYN NAD 7.30769
313 1USI PHE 7.30769
314 1M2W NAD 7.30769
315 1LJ8 NAD 7.30769
316 1YKF NAP 7.30769
317 4OXX FMN 7.40741
318 2FR1 NDP 7.61317
319 1OC2 NAD 7.69231
320 1OC2 TDX 7.69231
321 2PZM UDP 7.69231
322 2PZM NAD 7.69231
323 2DFV NAD 7.69231
324 5JY6 NAD 7.69231
325 2OG7 AHB 7.69231
326 4BCQ TJF 7.69231
327 1KEV NDP 7.69231
328 5N6C NAD 7.69231
329 6AA8 NAD 7.69231
330 2DT5 NAD 8.05687
331 3IWD M2T 8.06452
332 3ABI NAD 8.07692
333 3QV1 NAD 8.07692
334 4G5H NAP 8.07692
335 4G5H UD7 8.07692
336 5X20 NAD 8.07692
337 5Z75 NAD 8.25688
338 5YEC ATP 8.40336
339 5MSO NAP 8.46154
340 4E13 NAD 8.46154
341 2CUN 3PG 8.46154
342 3VPH NAD 8.46154
343 1LUA NAP 8.46154
344 3VPH OXM 8.46154
345 4JLS 3ZE 8.55263
346 1O5O U5P 8.59729
347 5K4W NAI 8.84615
348 5K4W THR 8.84615
349 1JAY NAP 8.96226
350 1EK6 NAI 9.23077
351 1EK6 UPG 9.23077
352 4ZRN NAD 9.23077
353 4ZRN UPG 9.23077
354 3V1Y NAD 9.23077
355 2BMB PMM 9.23077
356 2DBZ NAP 9.23077
357 1DKU AP2 9.23077
358 2VHW NAI 9.23077
359 2VUT NAD 9.30233
360 1CER NAD 9.61539
361 1J0X NAD 9.61539
362 5UAV TFB 9.61539
363 5UAV NDP 9.61539
364 3FSY SCA 9.61539
365 2YY7 NAD 10
366 1GY8 NAD 10
367 2FZW NAD 10
368 3LU1 NAD 10.1648
369 6FDF SAH 10.3846
370 2V6G NAP 10.7692
371 1SOW NAD 10.7692
372 5BN3 ADP 10.7692
373 5MLR GRQ 11.1538
374 5MLR NAP 11.1538
375 1V35 NAI 11.1538
376 2Q1S NAI 11.1538
377 2IXB NAD 11.1538
378 2GCG NDP 11.1538
379 2IXB A2G 11.1538
380 5AYV NAP 11.1538
381 5AYV KPL 11.1538
382 2GN4 NDP 11.5385
383 2GN4 UD1 11.5385
384 5KKA 6V0 11.5385
385 3H5N ATP 11.5385
386 2WPF FAD 11.5385
387 2WPF WPF 11.5385
388 5F5N NAD 11.7647
389 1RZ1 NAD 11.8012
390 5XWV NDP 11.8952
391 5XWV 8H6 11.8952
392 5Y1G NAD 11.9231
393 5Y1G AKB 11.9231
394 5Z21 NAI 11.9231
395 1NVM NAD 11.9231
396 2XYQ SAH 12.2951
397 1Y1P NMN AMP PO4 12.3077
398 1J5P NAD 12.3077
399 5YB7 ORN 12.3077
400 5YB7 FAD 12.3077
401 4GLL NAD 12.6923
402 3GFB NAD 12.6923
403 1CF2 NAP 12.6923
404 1U1I NAD 12.6923
405 2GAG FOA 12.6923
406 3L9W AMP 13.0769
407 1UP7 NAD 13.0769
408 2C29 NAP 13.4615
409 2C29 DQH 13.4615
410 4PLT NAI 13.4615
411 4PLT OXM 13.4615
412 1T36 ORN 13.4615
413 2WT9 NIO 13.8462
414 4XB2 NDP 14.2308
415 4XB2 HSE 14.2308
416 5U5N NAD 14.2308
417 4PIV NDP 14.6154
418 1KNM LAT 14.6154
419 1WP4 NDP 14.6154
420 1Z45 NAD 15
421 2I3G NAP 15
422 1YB5 NAP 15
423 4L8V NAP 15.3846
424 2OOR NAD 15.5172
425 3ORF NAD 15.5378
426 1UDB UFG 15.7692
427 1UDB NAD 15.7692
428 5ODQ 9SB 16.1538
429 1LDN NAD 16.9231
430 2ZJ1 NAD 17.3077
431 2ZJ1 ARJ 17.3077
432 5CG1 NAD BBN 17.6923
433 1QG6 NAD 17.6923
434 1QG6 TCL 17.6923
435 1N7G NDP 17.6923
436 1N7G GDR 17.6923
437 1FK8 NAD 17.8988
438 1WVG APR 18.0769
439 3ZIA ADP 18.1159
440 1GV0 NAD 18.4615
441 5L4S 6KX 19.6154
442 5L4S NAP 19.6154
443 4OOE FOM 21.1538
444 4OOE NDP 21.1538
445 4HXY NDP 23.4615
446 4RF7 ARG 25
447 4O1M NAD 25.3846
448 1XSE NDP 26.9231
449 3TN7 NJP 28.7938
450 3O26 NDP 31.5385
451 5GT9 NAP 31.5385
452 4IXW IXW 31.8898
453 1SNY NAP 32.6923
454 4J1Q NDP 33.0769
455 3HB5 NAP 33.4615
456 4Y9D NAI 33.4615
457 1A27 NAP 34.2308
458 4YAG NAI 34.6154
459 5WQP NAP 34.6154
460 5WQP NCA 34.6154
461 1NNU NAD 35
462 1NNU TCT 35
463 1UAY ADN 35.5372
464 3WXB NDP 35.7692
465 1GZ6 NAI 36.1538
466 4K26 SFF 36.5385
467 4YAC NAI 36.5385
468 4K26 NDP 36.5385
469 3CH6 311 36.9231
470 3CH6 NAP 36.9231
471 4ZU3 4SD 37.4449
472 1N5D NDP 37.6923
473 1OAA OAA 37.8378
474 3RJ5 NAD 38.189
475 1ZBQ NAD 38.4615
476 1WMA NDP 38.4615
477 1WMA AB3 38.4615
478 5O98 NAP 38.8462
479 5L53 NAP 39.2308
480 2BD0 NAP 40.1639
481 1XG5 NAP 40.3846
482 4FC7 COA 41.5385
483 4FC7 NAP 41.5385
484 3H4V DVP 41.5385
485 3H4V NAP 41.5385
486 5I7S E9P 41.5385
487 5I7S NAD 41.5385
488 1E3W NAD 41.9231
489 4J7U YTZ 41.9231
490 4J7U NAP 41.9231
491 2PD4 NAD 42.1818
492 2PD4 DCN 42.1818
493 1W8D NAP 42.3077
494 1W73 NAP 42.3077
495 2DKN NAI 42.3529
496 1U7T TDT 42.6923
497 1U7T NAD 42.6923
498 1Z6Z NAP 42.6923
499 1MXH DHF 42.6923
500 1MXH NAP 42.6923
501 1H5Q NAP 43.3962
502 3RKR NAP 43.4615
503 4Q9N NAI 43.4615
504 4D42 W0I 43.4615
505 4D42 NAP 43.4615
506 2JAH NDP 43.7247
507 3U4C NDP 43.8462
508 5G4L NDP 43.8462
509 4OHU NAD 43.8462
510 4OHU 2TK 43.8462
511 1W6U NAP 44.2308
512 5K6A NAP 44.2308
513 5JDC NAP 44.2308
514 5JCJ NAP 44.2308
515 3BMN NAP 44.2308
516 2WD7 NAP 44.2308
517 5JDI NAP 44.2308
518 4CM8 NAP 44.2308
519 3BMO NAP 44.2308
520 3JQF NAP 44.2308
521 4CMI NAP 44.2308
522 3JQG NAP 44.2308
523 3BMQ NAP 44.2308
524 4CME NAP 44.2308
525 4CM9 NAP 44.2308
526 3JQ8 NAP 44.2308
527 4CLR NAP 44.2308
528 4CM4 NAP 44.2308
529 3JQ7 NAP 44.2308
530 4CLO NAP 44.2308
531 3JQ9 NAP 44.2308
532 3JQB NAP 44.2308
533 3JQA NAP 44.2308
534 2VZ0 D64 44.2308
535 2VZ0 NAP 44.2308
536 5JDI 6JO 44.2308
537 3JQ8 DX3 44.2308
538 4CME KTZ 44.2308
539 5JDC 6JP 44.2308
540 5JCJ 6JM 44.2308
541 5K6A 6QT 44.2308
542 4CMI M4V 44.2308
543 3JQ9 AX1 44.2308
544 4CM9 YGL 44.2308
545 2JAP NDP 44.5344
546 4OSP NAP 44.6154
547 1BDB NAD 44.6154
548 1D7O TCL 44.6154
549 1D7O NAD 44.6154
550 4OSP 2V4 44.6154
551 3OJF NDP 44.7471
552 3OJF IMJ 44.7471
553 3OID NDP 44.9612
554 3ZV6 4HB 45
555 3ZV6 NAD 45
556 2WYV NAD 45
557 4KWI NAP 45.3846
558 4KWI 1TJ 45.3846
559 3GEG NAD 45.749
560 5GWT SIN 45.7692
561 5GWT NAD 45.7692
562 5Z2L NDP 46.1224
563 4O0L NDP 46.1538
564 3AFN NAP 46.5116
565 5OVL NAP 46.5385
566 1JA9 NDP 46.9231
567 3OIG NAD 46.9231
568 1JA9 PYQ 46.9231
569 3VZS NAP 47.0817
570 3VZS CAA 47.0817
571 2AE2 NAP 47.3077
572 2AE2 PTO 47.3077
573 5FEU NAP 47.6923
574 3V1U NAD 47.6923
575 1G0N PHH 47.6923
576 1G0N NDP 47.6923
577 5O42 9JW 47.8102
578 5O42 NAD 47.8102
579 5O42 BGC 47.8102
580 3D3W NAP 47.9508
581 3AI3 SOL 48.0769
582 1YXM ADE 48.0769
583 1O5I NAD 48.1928
584 3ICC NAP 48.2353
585 1XHL NDP 48.8462
586 4CQM NAP 48.8462
587 2ZAT NAP 48.8462
588 5EJ2 NAD 48.8462
589 1XHL TNE 48.8462
590 5T2U NAP 49.1936
591 2DTX BMA 50
Pocket No.: 2; Query (leader) PDB : 1X1T; 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: 1x1t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1X1T; 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: 3) in the query (biounit: 1x1t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1X1T; 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: 1x1t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback