Receptor
PDB id Resolution Class Description Source Keywords
5B4T 1.19 Å EC: 1.1.1.30 CRYSTAL STRUCTURE OF D-3-HYDROXYBUTYRATE DEHYDROGENASE FROM ALCALIGENES FAECALIS COMPLEXED WITH NAD+ AND A SUBSTRATE D-H YDROXYBUTYRATE ALCALIGENES FAECALIS SHORT-CHAIN DEHYDROGENASES/REDUCTASES SUBSTRATE COMPLEX OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC REACTION TRI INHIBITION OF D-3-HYDROXYBUTYRATE DEHYDROGENASE ACTA CRYSTALLOGR.,SECT.F V. 72 507 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:301;
Valid;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
3HR A:302;
Valid;
none;
submit data
104.105 C4 H8 O3 C[C@H...
NA A:303;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5B4T 1.19 Å EC: 1.1.1.30 CRYSTAL STRUCTURE OF D-3-HYDROXYBUTYRATE DEHYDROGENASE FROM ALCALIGENES FAECALIS COMPLEXED WITH NAD+ AND A SUBSTRATE D-H YDROXYBUTYRATE ALCALIGENES FAECALIS SHORT-CHAIN DEHYDROGENASES/REDUCTASES SUBSTRATE COMPLEX OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC REACTION TRI INHIBITION OF D-3-HYDROXYBUTYRATE DEHYDROGENASE ACTA CRYSTALLOGR.,SECT.F V. 72 507 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
2 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
4 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
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 (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
4 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
5 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
6 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
7 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
9 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 5YSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 5O43 Ki = 42 nM 9JQ C18 H14 F2 N2 O2 CN(c1ccc(c....
15 6FFB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
17 5O6X Ki = 6 nM 9MK C17 H12 F N O2 Cc1ccc2c(c....
18 6HNO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
20 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
22 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
26 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5Z2L Kd = 45 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
29 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 1AHI - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
33 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
34 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 2DTX - BMA C6 H12 O6 C([C@@H]1[....
36 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
37 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
39 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
40 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
41 1XHL - TNE C8 H13 N O CN1[C@H]2C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 244
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 ADP MG 0.584906 0.957747
22 A2D 0.576923 0.958333
23 ADP 0.575472 0.931507
24 NGD 0.574803 0.922078
25 BA3 0.566038 0.958333
26 M33 0.564815 0.918919
27 ADP PO3 0.563636 0.957747
28 ATP MG 0.563636 0.957747
29 AP5 0.560748 0.958333
30 B4P 0.560748 0.958333
31 AT4 0.555556 0.894737
32 AN2 0.555556 0.918919
33 GAP 0.553571 0.932432
34 OOB 0.551724 0.972222
35 CA0 0.550459 0.932432
36 9JJ 0.546053 0.898734
37 ACP 0.545455 0.906667
38 HEJ 0.545455 0.931507
39 KG4 0.545455 0.932432
40 ATP 0.545455 0.931507
41 DQV 0.544 0.972222
42 ALF ADP 0.54386 0.883117
43 ADP ALF 0.54386 0.883117
44 DAL AMP 0.543103 0.945205
45 8LQ 0.543103 0.92
46 AQP 0.540541 0.931507
47 AR6 0.540541 0.931507
48 5FA 0.540541 0.931507
49 APR 0.540541 0.931507
50 VO4 ADP 0.53913 0.945205
51 ADP VO4 0.53913 0.945205
52 AGS 0.535714 0.883117
53 AD9 0.535714 0.906667
54 SAP 0.535714 0.883117
55 WAQ 0.533333 0.896104
56 ABM 0.53271 0.905405
57 45A 0.53271 0.905405
58 00A 0.529412 0.921053
59 DLL 0.529412 0.972222
60 ACQ 0.526316 0.906667
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 OAD 0.525 0.932432
64 ADX 0.522523 0.839506
65 8LE 0.521739 0.907895
66 5AL 0.521739 0.945205
67 A1R 0.521008 0.871795
68 9SN 0.520325 0.909091
69 AMP 0.518868 0.930556
70 A 0.518868 0.930556
71 50T 0.517857 0.893333
72 ATF 0.517241 0.894737
73 3OD 0.516393 0.932432
74 1ZZ 0.516393 0.851852
75 SON 0.513514 0.92
76 PRX 0.513274 0.881579
77 SRP 0.512821 0.92
78 8LH 0.512821 0.92
79 6YZ 0.512821 0.906667
80 ADP BMA 0.512397 0.932432
81 9X8 0.512397 0.883117
82 3UK 0.512397 0.958904
83 MYR AMP 0.512195 0.851852
84 NAJ PZO 0.510949 0.909091
85 NMN 0.509434 0.875
86 HQG 0.508475 0.918919
87 A3R 0.508333 0.871795
88 B5V 0.508197 0.945946
89 AMP DBH 0.507937 0.906667
90 A22 0.504202 0.945205
91 ATP A A A 0.504 0.971831
92 B5M 0.504 0.933333
93 FA5 0.504 0.945946
94 ATP A 0.504 0.971831
95 8QN 0.5 0.945205
96 NAX 0.496183 0.886076
97 TYR AMP 0.496063 0.933333
98 PR8 0.495935 0.8625
99 ADQ 0.495868 0.932432
100 PAJ 0.495868 0.873418
101 4AD 0.495868 0.933333
102 AMO 0.495868 0.92
103 APC MG 0.495652 0.931507
104 AP2 0.495495 0.894737
105 A12 0.495495 0.894737
106 AHZ 0.492308 0.851852
107 YAP 0.492063 0.933333
108 FYA 0.491935 0.918919
109 AHX 0.491803 0.884615
110 4UU 0.488372 0.933333
111 5SV 0.487603 0.8375
112 T99 0.487179 0.894737
113 TAT 0.487179 0.894737
114 APC 0.486957 0.894737
115 SRA 0.486239 0.881579
116 NAI 0.484848 0.921053
117 6V0 0.484848 0.909091
118 GTA 0.484615 0.898734
119 LAD 0.483871 0.873418
120 A A 0.483871 0.958333
121 AU1 0.482456 0.906667
122 F2R 0.481752 0.831325
123 TXE 0.481203 0.921053
124 AF3 ADP 3PG 0.481203 0.873418
125 OMR 0.481203 0.841463
126 LAQ 0.480916 0.851852
127 G3A 0.48062 0.909091
128 B5Y 0.480315 0.933333
129 TXA 0.48 0.92
130 BIS 0.48 0.871795
131 NB8 0.48 0.884615
132 ME8 0.48 0.851852
133 PTJ 0.48 0.884615
134 139 0.477941 0.886076
135 LPA AMP 0.477273 0.851852
136 ARG AMP 0.476923 0.841463
137 AR6 AR6 0.476923 0.958333
138 G5P 0.476923 0.909091
139 AFH 0.476923 0.873418
140 25L 0.47619 0.945205
141 NAJ PYZ 0.475524 0.864198
142 25A 0.47541 0.958333
143 9ZA 0.47541 0.896104
144 9ZD 0.47541 0.896104
145 OZV 0.47541 0.931507
146 DZD 0.47482 0.897436
147 TXD 0.473684 0.921053
148 4UV 0.472868 0.933333
149 TYM 0.470149 0.945946
150 ADV 0.470085 0.894737
151 RBY 0.470085 0.894737
152 4TA 0.467626 0.864198
153 48N 0.466165 0.884615
154 XAH 0.465116 0.851852
155 4UW 0.462687 0.897436
156 M24 0.461538 0.886076
157 80F 0.460993 0.853659
158 IOT 0.459854 0.821429
159 T5A 0.456522 0.853659
160 EAD 0.455782 0.886076
161 MAP 0.455285 0.883117
162 GA7 0.454545 0.894737
163 BT5 0.453901 0.821429
164 A4P 0.452555 0.833333
165 UP5 0.451852 0.933333
166 PAP 0.445378 0.917808
167 4TC 0.445255 0.909091
168 AP0 0.445255 0.884615
169 YLP 0.444444 0.831325
170 P1H 0.443709 0.864198
171 AOC 0.442478 0.810811
172 Z5A 0.439189 0.833333
173 LMS 0.4375 0.817073
174 2A5 0.436975 0.857143
175 A G 0.43662 0.921053
176 COD 0.43662 0.802326
177 G A A A 0.43662 0.909091
178 ADJ 0.435714 0.841463
179 YLB 0.434783 0.831325
180 YLC 0.434783 0.851852
181 U A G G 0.433566 0.921053
182 ATR 0.433333 0.90411
183 7MD 0.432836 0.851852
184 8X1 0.432 0.764045
185 G5A 0.429752 0.790698
186 PO4 PO4 A A A A PO4 0.429688 0.943662
187 TAD 0.42963 0.873418
188 5AS 0.42735 0.770115
189 BTX 0.426573 0.831325
190 YLA 0.425532 0.831325
191 DSZ 0.425197 0.790698
192 NCN 0.424779 0.805556
193 UPA 0.42446 0.921053
194 8PZ 0.424242 0.811765
195 VMS 0.424 0.8
196 54H 0.424 0.8
197 9K8 0.423077 0.744444
198 N0B 0.422819 0.853659
199 6AD 0.422764 0.85
200 AYB 0.422535 0.821429
201 7D3 0.422414 0.844156
202 YLY 0.421769 0.821429
203 TSB 0.420635 0.809524
204 ODP 0.41958 0.922078
205 AV2 0.419355 0.855263
206 A5A 0.419355 0.819277
207 FB0 0.419355 0.775281
208 NNR 0.419048 0.739726
209 A A A 0.418605 0.918919
210 U A 0.417808 0.946667
211 649 0.417266 0.775281
212 NMN AMP PO4 0.416667 0.933333
213 H1Q 0.416667 0.917808
214 SSA 0.416 0.790698
215 P5A 0.415385 0.755556
216 LSS 0.414062 0.772727
217 A2R 0.412698 0.918919
218 52H 0.412698 0.790698
219 JB6 0.412214 0.896104
220 5N5 0.411215 0.783784
221 YSA 0.410448 0.811765
222 B1U 0.410448 0.786517
223 53H 0.409449 0.790698
224 5CA 0.409449 0.790698
225 ITT 0.408333 0.878378
226 7D4 0.408333 0.844156
227 NA7 0.407692 0.894737
228 LEU LMS 0.407692 0.784091
229 5CD 0.407407 0.794521
230 0WD 0.406897 0.909091
231 A3P 0.40678 0.930556
232 JSQ 0.406504 0.883117
233 HFD 0.406504 0.883117
234 AVV 0.40625 0.860759
235 RAB 0.40566 0.808219
236 ADN 0.40566 0.808219
237 XYA 0.40566 0.808219
238 FDA 0.405063 0.823529
239 GSU 0.40458 0.790698
240 7MC 0.404255 0.831325
241 NSS 0.403101 0.811765
242 6FA 0.402516 0.853659
243 NVA LMS 0.4 0.784091
244 PPS 0.4 0.817073
Ligand no: 2; Ligand: 3HR; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 3HL 1 1
2 3HR 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5B4T; Ligand: 3HR; Similar sites found with APoc: 176
This union binding pocket(no: 1) in the query (biounit: 5b4t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1XSE NDP 31.5385
2 5GT9 NAP 32.6923
3 4YAG NAI 35
4 1E3W NAD 35.7692
5 1E6W NAD 35.7692
6 1E3W NAD 35.7692
7 1E3W NAD 35.7692
8 1E6W NAD 35.7692
9 1E6W NAD 35.7692
10 1E6W NAD 35.7692
11 1E3W NAD 35.7692
12 3WXB NDP 35.7692
13 3WXB NDP 35.7692
14 5O98 NAP 36.1538
15 5O98 NAP 36.1538
16 1W8D NAP 36.4238
17 1W73 NAP 36.4238
18 1W8D NAP 36.4238
19 1W8D NAP 36.4238
20 1W73 NAP 36.4238
21 1W73 NAP 36.4238
22 1W73 NAP 36.4238
23 1W8D NAP 36.4238
24 5L53 NAP 36.5385
25 2BD0 NAP 37.2951
26 2BD0 NAP 37.2951
27 2BD0 NAP 37.2951
28 2BD0 NAP 37.2951
29 3TN7 NJP 37.3541
30 3TN7 NJP 37.3541
31 1W6U NAP 37.4172
32 1W6U NAP 37.4172
33 1W6U NAP 37.4172
34 1W6U NAP 37.4172
35 3RKR NAP 37.6923
36 4K26 NDP 38.4615
37 2GDZ NAD 38.8462
38 1ZBQ NAD 38.8462
39 1XG5 NAP 39.6154
40 1XG5 NAP 39.6154
41 1XG5 NAP 39.6154
42 1XG5 NAP 39.6154
43 1N5D NDP 40
44 1U7T TDT 43.0769
45 1U7T TDT 43.0769
46 2JAH NDP 44.1296
47 2JAH NDP 44.1296
48 2JAH NDP 44.1296
49 2JAH NDP 44.1296
50 5O42 9JW 44.1606
51 5O42 BGC 44.1606
52 5O42 NAD 44.1606
53 1G0N NDP 44.6154
54 1G0N NDP 44.6154
55 1G0N PHH 44.6154
56 2JAP NDP 44.9393
57 2JAP NDP 44.9393
58 2JAP NDP 44.9393
59 2JAP NDP 44.9393
60 3QWI NAP 45
61 3QWI NAP 45
62 3QWI CUE 45
63 3QWI NAP 45
64 3QWI CUE 45
65 3QWI NAP 45
66 2DKN NAI 45.098
67 4KWI 1TJ 45.3846
68 4KWI NAP 45.3846
69 4KWI 1TJ 45.3846
70 4KWI NAP 45.3846
71 5K6A NAP 45.3846
72 6HOW NAP 45.3846
73 5GWT NAD 45.7692
74 5GWT SIN 45.7692
75 5GWT NAD 45.7692
76 5GWT SIN 45.7692
77 5GWT SIN 45.7692
78 5GWT SIN 45.7692
79 5GWT NAD 45.7692
80 5GWT NAD 45.7692
81 1AE1 NAP 46.1538
82 1AE1 NAP 46.1538
83 1AE1 NAP 46.1538
84 1AE1 NAP 46.1538
85 5OJI NAP 46.5385
86 5OJI ISN 46.5385
87 5OJI ISN 46.5385
88 5OJI NAP 46.5385
89 6J7U NDP 46.7433
90 4O0L NDP 46.9231
91 4O0L NDP 46.9231
92 4O0L NDP 46.9231
93 4O0L NDP 46.9231
94 6OW4 NAD 46.9231
95 6OW4 NAD 46.9231
96 6OW4 NAD 46.9231
97 6OW4 NAD 46.9231
98 6OW4 NAD 46.9231
99 6OW4 NAD 46.9231
100 6OW4 NAD 46.9231
101 3OID NDP 47.2868
102 3OID NDP 47.2868
103 3OID NDP 47.2868
104 3OID NDP 47.2868
105 3VZS NAP 47.4708
106 5EJ2 NAD 48.0769
107 5EJ2 NAD 48.0769
108 5EJ2 NAD 48.0769
109 5EJ2 NAD 48.0769
110 2EWM NAD 48.1928
111 2EWM NAD 48.1928
112 4ITU NAI 48.3271
113 4ITU NAI 48.3271
114 4ITU NAI 48.3271
115 4ITU NAI 48.3271
116 4CQM NAP 48.4615
117 4CQM NAP 48.4615
118 4CQM NAP 48.4615
119 4CQM NAP 48.4615
120 4CQM NAP 48.4615
121 4CQM NAP 48.4615
122 4CQM NAP 48.4615
123 5THQ NDP 48.4615
124 5THQ NDP 48.4615
125 5THQ NDP 48.4615
126 5THQ NDP 48.4615
127 2B4Q NAP 48.4615
128 4CQM NAP 48.4615
129 4CQM NAP 48.4615
130 4CQM NAP 48.4615
131 4CQM NAP 48.4615
132 4CQM NAP 48.4615
133 1PR9 NAP 49.1803
134 1PR9 NAP 49.1803
135 1PR9 NAP 49.1803
136 1PR9 NAP 49.1803
137 3D3W NAP 49.1803
138 3D3W NAP 49.1803
139 3D3W NAP 49.1803
140 4QED NAP 49.1936
141 4QED NAP 49.1936
142 4QED NAP 49.1936
143 4QED NAP 49.1936
144 4QED NAP 49.1936
145 4QED NAP 49.1936
146 5OVL NAP 49.2308
147 5OVL NAP 49.2308
148 5OVL NAP 49.2308
149 5OVL NAP 49.2308
150 6CI9 NAP 49.4208
151 6CI9 NAP 49.4208
152 6CI9 NAP 49.4208
153 6CI9 NAP 49.4208
154 6CI9 NAP 49.4208
155 6CI9 NAP 49.4208
156 6CI9 NAP 49.4208
157 6CI9 NAP 49.4208
158 6CI9 NAP 49.4208
159 6CI9 NAP 49.4208
160 6CI9 NAP 49.4208
161 6CI9 NAP 49.4208
162 6CI9 NAP 49.4208
163 6CI9 NAP 49.4208
164 6CI9 NAP 49.4208
165 3A28 NAD 49.6124
166 3A28 NAD 49.6124
167 3A28 NAD 49.6124
168 3A28 NAD 49.6124
169 3A28 NAD 49.6124
170 3A28 NAD 49.6124
171 3A28 NAD 49.6124
172 3A28 NAD 49.6124
173 1NFQ NAI 49.6154
174 1NFQ NAI 49.6154
175 1NFQ NAI 49.6154
176 1NFQ NAI 49.6154
177 4FN4 NAD 50
178 4FN4 NAD 50
179 4FN4 NAD 50
180 4FN4 NAD 50
181 5T2U NAP 50
182 5T2U NAP 50
183 5T2U NAP 50
184 5T2U NAP 50
Pocket No.: 2; Query (leader) PDB : 5B4T; Ligand: 3HR; 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: 5b4t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5B4T; Ligand: 3HR; 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: 5b4t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5B4T; Ligand: 3HR; 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: 5b4t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5B4T; Ligand: NAD; Similar sites found with APoc: 176
This union binding pocket(no: 5) in the query (biounit: 5b4t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1XSE NDP 31.5385
2 5GT9 NAP 32.6923
3 4YAG NAI 35
4 1E3W NAD 35.7692
5 1E6W NAD 35.7692
6 1E3W NAD 35.7692
7 1E3W NAD 35.7692
8 1E6W NAD 35.7692
9 1E6W NAD 35.7692
10 1E6W NAD 35.7692
11 1E3W NAD 35.7692
12 3WXB NDP 35.7692
13 3WXB NDP 35.7692
14 5O98 NAP 36.1538
15 5O98 NAP 36.1538
16 1W8D NAP 36.4238
17 1W73 NAP 36.4238
18 1W8D NAP 36.4238
19 1W8D NAP 36.4238
20 1W73 NAP 36.4238
21 1W73 NAP 36.4238
22 1W73 NAP 36.4238
23 1W8D NAP 36.4238
24 5L53 NAP 36.5385
25 2BD0 NAP 37.2951
26 2BD0 NAP 37.2951
27 2BD0 NAP 37.2951
28 2BD0 NAP 37.2951
29 3TN7 NJP 37.3541
30 3TN7 NJP 37.3541
31 1W6U NAP 37.4172
32 1W6U NAP 37.4172
33 1W6U NAP 37.4172
34 1W6U NAP 37.4172
35 3RKR NAP 37.6923
36 4K26 NDP 38.4615
37 2GDZ NAD 38.8462
38 1ZBQ NAD 38.8462
39 1XG5 NAP 39.6154
40 1XG5 NAP 39.6154
41 1XG5 NAP 39.6154
42 1XG5 NAP 39.6154
43 1N5D NDP 40
44 1U7T TDT 43.0769
45 1U7T TDT 43.0769
46 2JAH NDP 44.1296
47 2JAH NDP 44.1296
48 2JAH NDP 44.1296
49 2JAH NDP 44.1296
50 5O42 9JW 44.1606
51 5O42 BGC 44.1606
52 5O42 NAD 44.1606
53 1G0N NDP 44.6154
54 1G0N NDP 44.6154
55 1G0N PHH 44.6154
56 2JAP NDP 44.9393
57 2JAP NDP 44.9393
58 2JAP NDP 44.9393
59 2JAP NDP 44.9393
60 3QWI NAP 45
61 3QWI NAP 45
62 3QWI CUE 45
63 3QWI NAP 45
64 3QWI CUE 45
65 3QWI NAP 45
66 2DKN NAI 45.098
67 4KWI 1TJ 45.3846
68 4KWI NAP 45.3846
69 4KWI 1TJ 45.3846
70 4KWI NAP 45.3846
71 5K6A NAP 45.3846
72 6HOW NAP 45.3846
73 5GWT NAD 45.7692
74 5GWT SIN 45.7692
75 5GWT NAD 45.7692
76 5GWT SIN 45.7692
77 5GWT SIN 45.7692
78 5GWT SIN 45.7692
79 5GWT NAD 45.7692
80 5GWT NAD 45.7692
81 1AE1 NAP 46.1538
82 1AE1 NAP 46.1538
83 1AE1 NAP 46.1538
84 1AE1 NAP 46.1538
85 5OJI NAP 46.5385
86 5OJI ISN 46.5385
87 5OJI ISN 46.5385
88 5OJI NAP 46.5385
89 6J7U NDP 46.7433
90 4O0L NDP 46.9231
91 4O0L NDP 46.9231
92 4O0L NDP 46.9231
93 4O0L NDP 46.9231
94 6OW4 NAD 46.9231
95 6OW4 NAD 46.9231
96 6OW4 NAD 46.9231
97 6OW4 NAD 46.9231
98 6OW4 NAD 46.9231
99 6OW4 NAD 46.9231
100 6OW4 NAD 46.9231
101 3OID NDP 47.2868
102 3OID NDP 47.2868
103 3OID NDP 47.2868
104 3OID NDP 47.2868
105 3VZS NAP 47.4708
106 5EJ2 NAD 48.0769
107 5EJ2 NAD 48.0769
108 5EJ2 NAD 48.0769
109 5EJ2 NAD 48.0769
110 2EWM NAD 48.1928
111 2EWM NAD 48.1928
112 4ITU NAI 48.3271
113 4ITU NAI 48.3271
114 4ITU NAI 48.3271
115 4ITU NAI 48.3271
116 4CQM NAP 48.4615
117 4CQM NAP 48.4615
118 4CQM NAP 48.4615
119 4CQM NAP 48.4615
120 4CQM NAP 48.4615
121 4CQM NAP 48.4615
122 4CQM NAP 48.4615
123 5THQ NDP 48.4615
124 5THQ NDP 48.4615
125 5THQ NDP 48.4615
126 5THQ NDP 48.4615
127 2B4Q NAP 48.4615
128 4CQM NAP 48.4615
129 4CQM NAP 48.4615
130 4CQM NAP 48.4615
131 4CQM NAP 48.4615
132 4CQM NAP 48.4615
133 1PR9 NAP 49.1803
134 1PR9 NAP 49.1803
135 1PR9 NAP 49.1803
136 1PR9 NAP 49.1803
137 3D3W NAP 49.1803
138 3D3W NAP 49.1803
139 3D3W NAP 49.1803
140 4QED NAP 49.1936
141 4QED NAP 49.1936
142 4QED NAP 49.1936
143 4QED NAP 49.1936
144 4QED NAP 49.1936
145 4QED NAP 49.1936
146 5OVL NAP 49.2308
147 5OVL NAP 49.2308
148 5OVL NAP 49.2308
149 5OVL NAP 49.2308
150 6CI9 NAP 49.4208
151 6CI9 NAP 49.4208
152 6CI9 NAP 49.4208
153 6CI9 NAP 49.4208
154 6CI9 NAP 49.4208
155 6CI9 NAP 49.4208
156 6CI9 NAP 49.4208
157 6CI9 NAP 49.4208
158 6CI9 NAP 49.4208
159 6CI9 NAP 49.4208
160 6CI9 NAP 49.4208
161 6CI9 NAP 49.4208
162 6CI9 NAP 49.4208
163 6CI9 NAP 49.4208
164 6CI9 NAP 49.4208
165 3A28 NAD 49.6124
166 3A28 NAD 49.6124
167 3A28 NAD 49.6124
168 3A28 NAD 49.6124
169 3A28 NAD 49.6124
170 3A28 NAD 49.6124
171 3A28 NAD 49.6124
172 3A28 NAD 49.6124
173 1NFQ NAI 49.6154
174 1NFQ NAI 49.6154
175 1NFQ NAI 49.6154
176 1NFQ NAI 49.6154
177 4FN4 NAD 50
178 4FN4 NAD 50
179 4FN4 NAD 50
180 4FN4 NAD 50
181 5T2U NAP 50
182 5T2U NAP 50
183 5T2U NAP 50
184 5T2U NAP 50
Pocket No.: 6; Query (leader) PDB : 5B4T; 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: 5b4t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5B4T; 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: 7) in the query (biounit: 5b4t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5B4T; 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: 5b4t.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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