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Receptor
PDB id Resolution Class Description Source Keywords
5GWT 1.9 Å EC: 1.-.-.- 4-HYDROXYISOLEUCINE DEHYDROGENASE MUTANT COMPLEXED WITH NADH SUCCINATE BACILLUS THURINGIENSIS NADH-DEPENDENT SHORT-CHAIN DEHYDROGENASE REDUCTASE OXIDO
Ref.: ENGINEERING A SHORT-CHAIN DEHYDROGENASE/REDUCTASE F STEREOSELECTIVE PRODUCTION OF (2S,3R,4S)-4-HYDROXYI WITH THREE ASYMMETRIC CENTERS. SCI REP V. 7 13703 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIN A:302;
D:301;
C:301;
B:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
118.088 C4 H6 O4 C(CC(...
NAD B:301;
C:302;
D:302;
A:301;
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
5GWT 1.9 Å EC: 1.-.-.- 4-HYDROXYISOLEUCINE DEHYDROGENASE MUTANT COMPLEXED WITH NADH SUCCINATE BACILLUS THURINGIENSIS NADH-DEPENDENT SHORT-CHAIN DEHYDROGENASE REDUCTASE OXIDO
Ref.: ENGINEERING A SHORT-CHAIN DEHYDROGENASE/REDUCTASE F STEREOSELECTIVE PRODUCTION OF (2S,3R,4S)-4-HYDROXYI WITH THREE ASYMMETRIC CENTERS. SCI REP V. 7 13703 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5GWS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 5GWT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 5GWR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5GWS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 5GWT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 5GWR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5GWS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 5GWT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 5GWR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 3OH 0.6 0.65
3 SHF 0.588235 0.684211
4 BUA 0.5625 0.611111
5 SLP 0.5625 0.6
6 0L1 0.5625 0.833333
7 GUA 0.5625 0.882353
8 AKG 0.526316 0.833333
9 PML 0.5 0.789474
10 MLA 0.5 0.722222
11 2IT 0.5 0.625
12 SSN 0.473684 0.866667
13 AZ1 0.473684 0.75
14 OKG 0.454545 0.7
15 TCE 0.45 0.625
16 SHO 0.428571 0.619048
17 9J3 0.416667 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 : 5GWT; Ligand: SIN; Similar sites found with APoc: 731
This union binding pocket(no: 1) in the query (biounit: 5gwt.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 4EKV BTN None
2 2DT5 NAD None
3 1IM8 SAI None
4 2PXX SAH 0.930233
5 4POO SAM 1
6 4YCA NDP 1.07914
7 4NEC SAH 1.13636
8 1YC5 NCA 1.21951
9 3RDO BTN 1.30719
10 1EQ2 NAP 1.43885
11 1R6D DAU 1.43885
12 3VPH NAD 1.43885
13 3VPH OXM 1.43885
14 1R6D NAD 1.43885
15 2PV7 NAD 1.43885
16 5Z20 NAI 1.43885
17 4IMO PWZ 1.70455
18 1VM6 NAD 1.75439
19 1V6A TRE 1.79856
20 1SC6 NAD 1.79856
21 3GCZ SAM 1.79856
22 5KOK SAH 1.79856
23 1LUA NAP 1.79856
24 4BHL ARG 1.79856
25 4KOA NDP 1.79856
26 1P77 ATR 1.83824
27 2I3G NAP 1.98864
28 3LCC SAH 2.12766
29 6DWI HD4 2.14592
30 1ORR NAD 2.15827
31 1GV0 NAD 2.15827
32 1EZ4 NAD 2.15827
33 5W7K SAH 2.15827
34 5MPT SAH 2.15827
35 3GFB NAD 2.15827
36 2DFV NAD 2.15827
37 4N49 SAM 2.15827
38 5THY SAH 2.15827
39 5Y8L NAD 2.15827
40 4UCI SAM 2.15827
41 5THZ SAH 2.15827
42 2Q0L NAP 2.15827
43 2YIP YIO 2.17391
44 4IWN GEK 2.18341
45 5D4V SAH 2.23881
46 5BW4 SAM 2.24719
47 1UKG MMA 2.38095
48 2PHU MAN MAN 2.38095
49 2PHX MAN MAN 2.38095
50 1Q8V MAN MAN 2.38095
51 2PHT MAN MAN MAN 2.38095
52 2PHW MAN MAN 2.38095
53 2PHR MAN MAN 2.38095
54 2PHF MAN MAN 2.38095
55 1Q8P MAN MMA 2.38095
56 2GND MAN 2.38095
57 1Q8O MAN MMA 2.38095
58 1Q8Q MAN MMA 2.38095
59 1Q8S MAN MMA 2.38095
60 1WVG APR 2.51799
61 1KEW NAD 2.51799
62 1KEW TYD 2.51799
63 5OCQ CIT 2.51799
64 2PZM UDP 2.51799
65 2PZM NAD 2.51799
66 3VSE SAH 2.51799
67 6FDF SAH 2.51799
68 4FZV SAM 2.51799
69 5LD5 NAD 2.51799
70 2JJQ SAH 2.51799
71 1TI7 NAP 2.51799
72 1HYH NAD 2.51799
73 1HDG NAD 2.51799
74 2VUT NAD 2.51799
75 1RJD SAM 2.51799
76 1P31 EPU 2.51799
77 1X7D NAD 2.51799
78 2HYV UAP SGN IDS SGN IDS 2.51799
79 5Y77 FAD 2.51799
80 5X68 FAD 2.51799
81 2Y6Q FAD 2.51799
82 4RPL 3UC 2.51799
83 3TLJ SAH 2.51799
84 1GQ2 NAP 2.51799
85 2XVE FAD 2.51799
86 3OND ADN 2.51799
87 3S1S SAH 2.51799
88 3OND NAD 2.51799
89 4RPL FAD 2.51799
90 3FSY SCA 2.51799
91 1DRV A3D 2.5641
92 5ULP KB1 2.61194
93 1P19 IMP 2.71493
94 3MB5 SAM 2.7451
95 3KIF GDL 2.83019
96 1HDR NAD 2.86885
97 2GN4 UD1 2.8777
98 2GN4 NDP 2.8777
99 6BWL NAD 2.8777
100 1A5Z NAD 2.8777
101 5MDH NAD 2.8777
102 2UYQ SAM 2.8777
103 6CEP NAD 2.8777
104 6CEP OXM 2.8777
105 1X87 NAD 2.8777
106 1SQF SAM 2.8777
107 6GKV SAH 2.8777
108 5Z21 NAI 2.8777
109 2GZ3 NAP 2.8777
110 3KB6 NAD 2.8777
111 3B20 NAD 2.8777
112 4LHD GLY 2.8777
113 2D2I NAP 2.8777
114 4MDH NAD 2.8777
115 1N2X SAM 2.8777
116 3B1J NAD 2.8777
117 1DJN ADP 2.8777
118 6D6Y SAH 2.8777
119 1J49 NAD 2.8777
120 3VYW SAM 2.8777
121 6F90 MVL 2.8777
122 1RM4 NDP 2.8777
123 1WG8 SAM 2.8777
124 5DWQ SFG 2.8777
125 1LC3 NAD 2.8777
126 1U2Z SAH 2.8777
127 5DXA SFG 2.8777
128 3CMC NAD 2.8777
129 4M73 M72 2.8777
130 4M73 SAH 2.8777
131 5DX8 SFG 2.8777
132 4DPL NAP 2.8777
133 2WA2 SAM 2.89855
134 1TZD ADP 2.90909
135 1JG3 ADN 2.97872
136 2AJH MET 3.06122
137 5Y1G AKB 3.23741
138 5Y1G NAD 3.23741
139 1SOW NAD 3.23741
140 1ZQ9 SAM 3.23741
141 4GKV NAD 3.23741
142 4KIB SAH 3.23741
143 3C1O NAP 3.23741
144 5JE8 NAD 3.23741
145 1UWK NAD 3.23741
146 1UWK URO 3.23741
147 1G55 SAH 3.23741
148 5AYV NAP 3.23741
149 4XZ3 ACP 3.23741
150 1H9A NAP 3.23741
151 2B4R AES 3.23741
152 4L8V NAP 3.23741
153 2B4R NAD 3.23741
154 3GXO SAH 3.25203
155 1KYQ NAD 3.28467
156 2BKA NDP 3.30579
157 2DC1 NAD 3.38983
158 1I36 NAP 3.40909
159 2EJU SAH 3.43915
160 5ZI9 FLC 3.46154
161 5N5D SAM 3.53982
162 3DUW SAH 3.58744
163 1EK6 NAI 3.59712
164 1EK6 UPG 3.59712
165 9LDT NAD 3.59712
166 5F8F SFG 3.59712
167 9LDB NAD 3.59712
168 1BW9 NAD 3.59712
169 3PT9 SAH 3.59712
170 5WP5 SAH 3.59712
171 1C1X NAD 3.59712
172 2CVQ NDP 3.59712
173 2IXB NAD 3.59712
174 4DMG SAM 3.59712
175 5T96 79J 3.59712
176 1BXG NAD 3.59712
177 5JJR SAH 3.59712
178 2IZ1 ATR 3.59712
179 3L4S NAD 3.59712
180 1OMO NAD 3.59712
181 2IXB A2G 3.59712
182 3L4S 3PG 3.59712
183 3G89 SAM 3.61446
184 1BC5 SAH 3.71747
185 3C3Y SAH 3.79747
186 3F81 STT 3.82514
187 1WY7 SAH 3.86473
188 2PWY SAH 3.87597
189 5OOH NAP 3.8835
190 5OOH 9ZZ 3.8835
191 1EJ0 SAM 3.88889
192 4PVD NDP 3.95683
193 4EUE NAI 3.95683
194 5NUF NAD 3.95683
195 1GUZ NAD 3.95683
196 5NUE NAD 3.95683
197 6AA8 NAD 3.95683
198 4C4A SAH 3.95683
199 3O7W SAM 3.95683
200 2A92 NAI 3.95683
201 2TOH HBI 3.95683
202 5DNK SAH 3.95683
203 3PLS ANP 3.95683
204 1D1T NAD 3.95683
205 4YUW 4JU 3.95683
206 2JK0 ASP 3.95683
207 1ELI PYC 3.95683
208 4YUW S4M 3.95683
209 6ECU SAH 3.95683
210 5L1O 7PF 3.95683
211 5A6N U7E 3.95683
212 1OBB NAD 3.95683
213 1T26 NAI 3.95683
214 1T26 GBD 3.95683
215 5W3Y ACO 3.97727
216 5W3X ACO 3.97727
217 2B7N NTM 4.0293
218 2VDV SAM 4.06504
219 4A34 FUL 4.08163
220 5KXE 6Y2 4.11523
221 3WV8 ATP 4.12844
222 1S8G DAO 4.13223
223 5KAX RHQ 4.21687
224 1G60 SAM 4.23077
225 5N2I NAP 4.31034
226 1GY8 NAD 4.31655
227 3L9W AMP 4.31655
228 1PL6 NAD 4.31655
229 3V1Y NAD 4.31655
230 3JU6 ANP 4.31655
231 1PL6 572 4.31655
232 2VHW NAI 4.31655
233 1FP1 SAH 4.31655
234 1JQ3 AAT 4.31655
235 4UP3 NDP 4.31655
236 3BK2 U5P 4.31655
237 6HLY G9Z 4.31655
238 1VE3 SAM 4.40529
239 5T9E NAP 4.42804
240 5T9F TYR 4.42804
241 5T9F NAP 4.42804
242 5O96 SAM 4.4898
243 1GZ4 ATP 4.53721
244 2EV9 SKM 4.56274
245 2WEL K88 4.66667
246 5IN4 6CK 4.67626
247 5IN4 GDP 4.67626
248 5IN4 NAP 4.67626
249 1YS4 NAP 4.67626
250 1UXG NAD 4.67626
251 1UXG FUM 4.67626
252 1E5Q NDP 4.67626
253 3TKA SAM 4.67626
254 6BII NAP 4.67626
255 5AOV NAP 4.67626
256 1NVT NAP 4.67626
257 4AZW SAM 4.67626
258 4Z0H NAD 4.67626
259 5E72 SAM 4.67626
260 2WG9 OCA 4.67626
261 2P41 SAH 4.67626
262 1U8X NAD 4.67626
263 6ECW SAH 4.67626
264 4BVA NDP 4.67626
265 4D79 ATP 4.71014
266 3EVG SAH 4.72727
267 3A27 SAM 4.77941
268 3T7S SAM 4.85075
269 4K6B GLU 4.96894
270 6DNT NAD 5.03597
271 4ZRN NAD 5.03597
272 6EL3 NAP 5.03597
273 4ZRN UPG 5.03597
274 1I2B USQ 5.03597
275 1I2B NAD 5.03597
276 1I2B UPG 5.03597
277 3A25 SAM 5.03597
278 4LWP SAH 5.03597
279 1SAY PYR 5.03597
280 2DPM SAM 5.03597
281 1NPD NAD 5.03597
282 5KVS NAP 5.03597
283 1VI2 NAD 5.03597
284 4OBW SAM 5.05837
285 3JWH SAH 5.06912
286 2BZG SAH 5.17241
287 6HDT BTN 5.26316
288 1R18 SAH 5.28634
289 1QAN SAH 5.32787
290 5MLR NAP 5.39568
291 5YEC ATP 5.39568
292 5KKA 6V0 5.39568
293 5MLR GRQ 5.39568
294 3G2O SAM 5.39568
295 3OA2 NAD 5.39568
296 2CDU ADP 5.39568
297 1CER NAD 5.39568
298 3H9E NAD 5.39568
299 3CBG SAH 5.39568
300 3RUV ANP 5.39568
301 4R5M NAP 5.39568
302 1A99 PUT 5.39568
303 5XLX SAH 5.39568
304 3M6W SAM 5.39568
305 4JK3 NAD 5.40541
306 4YMH SAH 5.41667
307 5EY0 GTP 5.47445
308 3LU1 NAD 5.49451
309 3ENV ABF 5.53191
310 2Q46 NAP 5.5336
311 4ZV1 ARG 5.5794
312 5BSZ SAH 5.6
313 1M3U KPL 5.68182
314 1I1N SAH 5.75221
315 2YY7 NAD 5.7554
316 1PJS NAD 5.7554
317 5A1T NAI 5.7554
318 2ZIF SAM 5.7554
319 5A1T OXM 5.7554
320 1RJW ETF 5.7554
321 1VKO NAD 5.7554
322 1KYZ SAH 5.7554
323 4RQU NAD 5.7554
324 4XQC NAD 5.7554
325 2EG5 SAH 5.7554
326 3LST SAH 5.7554
327 3TKY SAH 5.7554
328 4XQC 13D 5.7554
329 5ZW3 SAH 5.77778
330 1ODJ GMP 5.95745
331 4GGZ BTN 6.08696
332 4PIV NDP 6.11511
333 1V35 NAI 6.11511
334 1LDM NAD 6.11511
335 4RDH AMP 6.11511
336 3A06 NDP 6.11511
337 4RDI ATP 6.11511
338 2Q28 ADP 6.11511
339 4OOE FOM 6.11511
340 4OOE NDP 6.11511
341 5UAV TFB 6.11511
342 5UAV NDP 6.11511
343 1CF2 NAP 6.11511
344 3DMH SAM 6.11511
345 3SJK LYS PRO VAL LEU ARG THR ALA 6.31579
346 2OUA AES 6.38298
347 4XUC 43G 6.42202
348 4XUC SAM 6.42202
349 4D3F NAP 6.47482
350 5HJM MTA 6.47482
351 5WP4 SAH 6.47482
352 2G5C NAD 6.47482
353 5N6C NAD 6.47482
354 1DSS NAD 6.47482
355 3GGO NAI 6.47482
356 3GGO ENO 6.47482
357 2VSS ACO 6.52174
358 2XVM SAH 6.53266
359 3BGD SAH 6.53846
360 2PT9 2MH 6.54206
361 2PT9 S4M 6.54206
362 3A4T SFG 6.56934
363 2AK3 AMP 6.63717
364 3EW2 BTN 6.66667
365 1SB8 NAD 6.83453
366 1SB8 UD2 6.83453
367 5XNC MTA 6.83453
368 1HYE NAP 6.83453
369 5H81 NAP 6.83453
370 3X0D SAH 6.83453
371 3I6I NDP 6.83453
372 3BAZ NAP 6.83453
373 2DBZ NAP 6.83453
374 3LKZ SFG 6.83453
375 3LJU IP9 6.83453
376 4FBL SPD 6.83453
377 1LVL NAD 6.83453
378 1H2B NAJ 6.83453
379 5X9D 80F 6.83453
380 2EXX NAP 6.86275
381 3IVV ASP GLU VAL THR SER THR THR SER SER SER 6.89655
382 2HMT NAI 6.94444
383 4JX1 CAH 7.07965
384 1J5P NAD 7.11462
385 5JAQ NAI 7.19424
386 5EES NAP 7.19424
387 1U1I NAD 7.19424
388 2OS2 OGA 7.19424
389 2YBP 2HG 7.19424
390 1O94 ADP 7.19424
391 5DN9 NAD 7.19424
392 3C6K SPD 7.19424
393 3C6K MTA 7.19424
394 6ECT SAM 7.19424
395 5X30 4LM 7.19424
396 6DUB SAH 7.20721
397 1LTH NAD 7.21003
398 5JE0 AZ8 7.28745
399 5JE0 SAH 7.28745
400 1L3I SAH 7.29167
401 3GU3 SAH 7.39437
402 2I7C AAT 7.42049
403 4Z28 BTN 7.46269
404 2FR1 NDP 7.55396
405 5K4W NAI 7.55396
406 5K4W THR 7.55396
407 1RPN NDP 7.55396
408 2Q1S NAI 7.55396
409 5ERG SAM 7.55396
410 4KRG SAH 7.55396
411 6BQ6 TER 7.55396
412 1EBF NAD 7.55396
413 4TXI FAD 7.55396
414 1ZH8 NAP 7.55396
415 5FTW SAH 7.8125
416 1RKX NAD 7.91367
417 2X6T NAP 7.91367
418 1V59 NAD 7.91367
419 1F8G NAD 7.91367
420 5K7U SAM 8
421 4GLL NAD 8.01187
422 4ZVV NAD 8.13253
423 4ZVV GN0 8.13253
424 2OOR NAD 8.27338
425 1LDN NAD 8.27338
426 1PZG A3D 8.27338
427 1FP2 SAH 8.27338
428 5A0U CHT 8.27338
429 3WGT QSC 8.27338
430 3WGT FAD 8.27338
431 5XWV NDP 8.46774
432 5XWV 8H6 8.46774
433 5IL1 SAM 8.49057
434 3O26 NDP 8.63309
435 5ZI2 NAD 8.63309
436 5ZI2 ADP 8.63309
437 5TC4 NAD 8.63309
438 5FA8 SAM 8.69565
439 2HK9 ATR 8.72727
440 2HK9 NAP 8.72727
441 3EGI ADP 8.73786
442 5MGZ SAH 8.8983
443 5CAE COA 8.94569
444 3B1F NAD 8.99281
445 1NW5 SAM 8.99281
446 4M37 SAH 8.99281
447 1Y8Q ATP 8.99281
448 5M58 SAH 8.99281
449 5X20 NAD 8.99281
450 4D04 FAD 8.99281
451 4D04 NAP 8.99281
452 1F8F NAD 8.99281
453 4J36 FAD 8.99281
454 1E7S NAP 9.35252
455 1UDB NAD 9.35252
456 1UDB UFG 9.35252
457 1WDK NAD 9.35252
458 4YSX FAD 9.35252
459 5L53 NAP 9.71223
460 5UR0 NAD 9.71223
461 1RM0 D6P 9.71223
462 1RM0 NAI 9.71223
463 3CIF G3H 9.71223
464 3CIF NAD 9.71223
465 3O5N BR0 9.82143
466 3GRU AMP 10.0719
467 3O9Z NAD 10.0719
468 3O9Z AKG 10.0719
469 4RSL FAD 10.0719
470 5OKU 0L1 10.0719
471 3FPF TNA 10.0719
472 3FPF MTA 10.0719
473 3U31 NAD 10.0719
474 2YVJ NAI 10.0917
475 3OFK SAH 10.1852
476 5LOG SAH 10.3004
477 4QTU SAM 10.3704
478 5MSO NAP 10.4317
479 5W7M SAH 10.4317
480 1NVM NAD 10.4317
481 3OJO NAD 10.7914
482 1GAD NAD 10.7914
483 1J0X NAD 10.7914
484 1UP7 NAD 10.7914
485 6AC9 ANP 10.7914
486 4I5I NAD 10.8014
487 3QV1 NAD 10.9756
488 1LNX URI 11.1111
489 5DF1 58X 11.1511
490 5DF1 NAP 11.1511
491 2C5A GDC 11.1511
492 2C5A NAD 11.1511
493 1MUU NAD 11.1511
494 2ZJ1 ARJ 11.1511
495 2ZJ1 NAD 11.1511
496 4DCM SAM 11.1511
497 3BXO SAM 11.2971
498 2QRD ATP 11.3402
499 1MV8 NAD 11.5108
500 4CJX NAP 11.5108
501 5JGL SAM 11.5108
502 3RFV NAI 11.6105
503 3RFV 15L 11.6105
504 3FUU ADN 11.8081
505 4KRI SAH 11.8705
506 1LLU NAD 11.8705
507 1O6Z NAD 12.2302
508 2JHP SAH 12.2302
509 5BJX NAD 12.2951
510 5BJX UDP 12.2951
511 2XYQ SAH 12.2951
512 5E1M SAH 12.4481
513 5M67 3D1 12.5261
514 5M67 ADE 12.5261
515 5M67 NAD 12.5261
516 4U7W NDP 12.5899
517 3ABI NAD 12.5899
518 2F1K NAP 12.5899
519 1OC2 NAD 12.5899
520 1OC2 TDX 12.5899
521 1ZGA SAH 12.5899
522 1E3I CXF 12.5899
523 1LSS NAD 12.8571
524 2Q1W NAD 12.9496
525 5E9W SAH 12.9496
526 5E8J SAH 12.9496
527 2YX1 SFG 12.9496
528 5A1S FLC 13.3094
529 3NJ4 NAD 13.6691
530 3NJ4 AFX 13.6691
531 3H8V ATP 14.0411
532 3GDH SAH 14.1079
533 1C3V NDP 14.2857
534 3A4V PYR 14.7482
535 3A4V NAD 14.7482
536 2C29 NAP 14.7482
537 2C29 DQH 14.7482
538 4G5H NAP 14.7482
539 4G5H UD7 14.7482
540 1WP4 NDP 14.7482
541 2CVZ NDP 14.7482
542 1NYT NAP 14.7601
543 6A0S HSE 15.0602
544 6A0S NDP 15.0602
545 1I9G SAM 15.1079
546 4JLS 3ZE 15.1316
547 4TQG NDP 15.4676
548 5YSN 5AD 15.4676
549 1N7G GDR 15.4676
550 1N7G NDP 15.4676
551 1O0S NAI 15.4676
552 1D7O NAD 16.187
553 1D7O TCL 16.187
554 2PD4 DCN 16.3636
555 2PD4 NAD 16.3636
556 4Q9N NAI 16.5468
557 4O1M NAD 16.5468
558 5ZZ6 ADP 16.8269
559 5ZZ6 NAD 16.8269
560 2VT3 ATP 17.2093
561 2WYV NAD 17.6245
562 4J1Q NDP 17.6259
563 1Y1P NMN AMP PO4 17.6259
564 5KIQ SIA GAL NAG FUC 17.7665
565 1BXK NAD 17.9856
566 3CH6 311 17.9856
567 3CH6 NAP 17.9856
568 4OHU NAD 17.9856
569 4OHU 2TK 17.9856
570 2VYN NAD 18.705
571 5L4S 6KX 19.4245
572 5L4S NAP 19.4245
573 1CDO NAD 19.4245
574 3KO8 NAD 19.7842
575 3SSO SAH 19.7842
576 2DKN NAI 20
577 4KXQ APR 20
578 1Z45 NAD 20.5036
579 2ZWA SAH 20.5036
580 3OIG NAD 20.6767
581 3RJ5 NAD 20.8661
582 3H5N ATP 21.9424
583 5L95 AMP 22.5
584 4GQB 0XU 22.7273
585 1WMA AB3 23.5507
586 1WMA NDP 23.5507
587 4M38 SAH 23.8095
588 3OJF NDP 24.5136
589 3OJF IMJ 24.5136
590 5FA5 MTA 25
591 4HXY NDP 25.8993
592 1N5D NDP 27.4306
593 1NNU NAD 28.3333
594 1NNU TCT 28.3333
595 4D42 NAP 29.1367
596 4D42 W0I 29.1367
597 1XSE NDP 29.4964
598 3H4V DVP 29.8611
599 3H4V NAP 29.8611
600 4K26 NDP 30.9353
601 4K26 SFF 30.9353
602 4IXW IXW 31.1024
603 1GZ6 NAI 31.295
604 5CG1 NAD BBN 31.295
605 5ZEC NAP 31.295
606 1ZBQ NAD 32.3741
607 1QG6 NAD 33.3333
608 1QG6 TCL 33.3333
609 2BD0 NAP 33.6066
610 2BD0 BIO 33.6066
611 3WXB NDP 33.813
612 1OAA OAA 33.9768
613 3BMO NAP 34.1727
614 4CM8 NAP 34.1727
615 4CM4 NAP 34.1727
616 3JQ8 NAP 34.1727
617 4CLO NAP 34.1727
618 3BMQ NAP 34.1727
619 3JQ9 NAP 34.1727
620 4CM9 NAP 34.1727
621 3BMN NAP 34.1727
622 4CMI NAP 34.1727
623 4CME NAP 34.1727
624 1A27 NAP 34.1727
625 4CLR NAP 34.1727
626 3HB5 NAP 34.1727
627 3JQB NAP 34.1727
628 4CME KTZ 34.1727
629 3JQ8 DX3 34.1727
630 3JQB DX6 34.1727
631 4CM9 YGL 34.1727
632 4CM4 4NR 34.1727
633 3JQ9 AX1 34.1727
634 3BMO AX4 34.1727
635 4CMI M4V 34.1727
636 4CM8 IZ9 34.1727
637 3HB5 E2B 34.1727
638 4CLO XP0 34.1727
639 1A27 EST 34.1727
640 3BMQ AX5 34.1727
641 1W8D NAP 34.5324
642 1W73 NAP 34.5324
643 5I7S NAD 34.7826
644 5I7S E9P 34.7826
645 1U7T NAD 34.8659
646 1U7T TDT 34.8659
647 1O5I NAD 35.3414
648 1W6U NAP 35.6115
649 3ZV6 4HB 35.6115
650 3ZV6 NAD 35.6115
651 2GDZ NAD 36.7041
652 5HDA SER MET PRO GLU LEU SER PRO VAL LEU 37.0968
653 1E3W NAD 37.1647
654 1E6W NAD 37.3077
655 4J7U NAP 39.2361
656 4J7U YTZ 39.2361
657 4II2 ATP 39.759
658 3ORF NAD 39.8406
659 2B4Q NAP 39.8551
660 3AFN NAP 39.9225
661 1Z6Z NAP 40.0709
662 2RH4 EMO 40.0722
663 3QWI NAP 40.3704
664 3QWI CUE 40.3704
665 6CI9 NAP 40.5405
666 6CI9 F3V 40.5405
667 3V1U NAD 40.6475
668 3V1U HXC 40.6475
669 4FC7 NAP 40.7942
670 4FC7 COA 40.7942
671 1G0N PHH 41.0072
672 1G0N NDP 41.0072
673 3JQA NAP 41.3194
674 3JQF NAP 41.3194
675 3JQG NAP 41.3194
676 3JQ7 NAP 41.3194
677 3JQ7 DX2 41.3194
678 3JQG AX6 41.3194
679 3RKR NAP 42.7481
680 1XKQ NDP 42.8058
681 1FK8 NAD 43.1907
682 6F9Q NAD 43.3824
683 1XHL NDP 43.8849
684 1XHL TNE 43.8849
685 2WD7 NAP 44.0299
686 2VZ0 D64 44.0299
687 2VZ0 NAP 44.0299
688 2WD7 VGD 44.0299
689 1AE1 NAP 44.3223
690 3O03 NAP 44.6043
691 3O03 GCO 44.6043
692 1H5Q NAP 44.9057
693 1GEG NAD 45.3125
694 1VL8 NAP 45.3184
695 5OVL NAP 45.3237
696 5EJ2 NAD 45.3237
697 3OID NDP 45.3488
698 3OID TCL 45.3488
699 5O42 NAD 45.6204
700 5O42 9JW 45.6204
701 5O42 BGC 45.6204
702 1HDC CBO 45.6693
703 1X1T NAD 45.7692
704 5B4T 3HR 45.7692
705 5B4T NAD 45.7692
706 2AE2 PTO 45.7692
707 2AE2 NAP 45.7692
708 3ICC NAP 45.8824
709 1YXM ADE 46.0432
710 1ZEM NAD 46.9466
711 2DTX BMA 46.9697
712 2Q2V NAD 47.0588
713 3VZS NAP 47.0817
714 3VZS CAA 47.0817
715 4ZA2 NAD 47.4308
716 1ZK4 AC0 47.8088
717 1ZK4 NAP 47.8088
718 3AI3 SOL 47.9087
719 2ZAT NAP 48.0769
720 5Z2L NDP 48.1633
721 3NUG NAD 48.583
722 4CQM NAP 48.659
723 3AY6 NAI 48.6989
724 3AY6 BGC 48.6989
725 1GEE NAD 49.0421
726 5OVK NDP 49.2188
727 1NFQ NAI 49.2308
728 4URF NAD 49.5968
729 4URF 1PS 49.5968
730 5OJI ISN 49.6154
731 5OJI NAP 49.6154
732 1PR9 NAP 50
733 3D3W NAP 50
734 4QED NAP 50
735 3SJ7 NDP 50
Pocket No.: 2; Query (leader) PDB : 5GWT; Ligand: NAD; Similar sites found with APoc: 886
This union binding pocket(no: 2) in the query (biounit: 5gwt.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2DT5 NAD None
2 1IM8 SAI None
3 5FII PHE None
4 1IV2 CDP None
5 2PXX SAH 0.930233
6 4POO SAM 1
7 4YCA NDP 1.07914
8 4NEC SAH 1.13636
9 1YC5 NCA 1.21951
10 1EQ2 NAP 1.43885
11 3VPH NAD 1.43885
12 3VPH OXM 1.43885
13 1R6D NAD 1.43885
14 1R6D DAU 1.43885
15 2PV7 NAD 1.43885
16 5Z20 NAI 1.43885
17 1Q3Q ANP 1.43885
18 4O48 ASP 1.43885
19 1VM6 NAD 1.75439
20 1V6A TRE 1.79856
21 1SC6 NAD 1.79856
22 3GCZ SAM 1.79856
23 4BHL ARG 1.79856
24 5KOK SAH 1.79856
25 2AWN ADP 1.79856
26 4PVR ASP 1.79856
27 3GF4 FAD 1.79856
28 3GF4 UPG 1.79856
29 1LUA NAP 1.79856
30 4BG4 ARG 1.79856
31 3WLE NAD 1.79856
32 4KOA NDP 1.79856
33 1M0S CIT 1.82648
34 1P77 ATR 1.83824
35 1YY5 FAD 1.94932
36 2I3G NAP 1.98864
37 3LCC SAH 2.12766
38 6DWI HD4 2.14592
39 1ORR NAD 2.15827
40 1GV0 NAD 2.15827
41 5W7K SAH 2.15827
42 1EZ4 NAD 2.15827
43 5MPT SAH 2.15827
44 3GFB NAD 2.15827
45 2DFV NAD 2.15827
46 4N49 SAM 2.15827
47 5THY SAH 2.15827
48 2GSD NAD 2.15827
49 4UCI SAM 2.15827
50 1K3A ACP 2.15827
51 5Y8L NAD 2.15827
52 2WE0 UMP 2.15827
53 5THZ SAH 2.15827
54 4ZCC FAD 2.15827
55 4ZCC NAI 2.15827
56 2NVK FAD 2.15827
57 2XVF FAD 2.15827
58 3QVP FAD 2.15827
59 2YIP YIO 2.17391
60 5D4V SAH 2.23881
61 5BW4 SAM 2.24719
62 3HDY FAD 2.267
63 3HDY GDU 2.267
64 2UVO NDG 2.33918
65 2PHU MAN MAN 2.38095
66 1UKG MMA 2.38095
67 2PHX MAN MAN 2.38095
68 1Q8V MAN MAN 2.38095
69 1Q8Q MAN MMA 2.38095
70 2PHT MAN MAN MAN 2.38095
71 1Q8S MAN MMA 2.38095
72 2PHW MAN MAN 2.38095
73 2PHF MAN MAN 2.38095
74 2GND MAN 2.38095
75 2PHR MAN MAN 2.38095
76 1Q8O MAN MMA 2.38095
77 2GND MAN MMA 2.38095
78 1Q8P MAN MMA 2.38095
79 1WVG APR 2.51799
80 1KEW NAD 2.51799
81 1KEW TYD 2.51799
82 3VSE SAH 2.51799
83 2PZM NAD 2.51799
84 2PZM UDP 2.51799
85 6FDF SAH 2.51799
86 4FZV SAM 2.51799
87 5LD5 NAD 2.51799
88 1TI7 NAP 2.51799
89 1X7D NAD 2.51799
90 1HDG NAD 2.51799
91 4RPL FAD 2.51799
92 4RPL 3UC 2.51799
93 2JJQ SAH 2.51799
94 1HYH NAD 2.51799
95 1X7D ORN 2.51799
96 2VUT NAD 2.51799
97 3OND NAD 2.51799
98 3OND ADN 2.51799
99 3ZNN 4WL 2.51799
100 3ZNN FAD 2.51799
101 1RJD SAM 2.51799
102 5Y77 FAD 2.51799
103 1P31 EPU 2.51799
104 2Y6Q I7T 2.51799
105 1Q0H NDP 2.51799
106 5X68 FAD 2.51799
107 2YAB AMP 2.51799
108 1I8T FAD 2.51799
109 1Q0H FOM 2.51799
110 3TLJ SAH 2.51799
111 3FSY SCA 2.51799
112 5MZI FYK 2.51799
113 5MZI FAD 2.51799
114 5E58 CPZ 2.51799
115 1VBH PEP 2.51799
116 2XVE FAD 2.51799
117 5KMS NAD 2.51799
118 5LV1 78T 2.51799
119 3S1S SAH 2.51799
120 1GQ2 NAP 2.51799
121 2Y6Q FAD 2.51799
122 2HYV UAP SGN IDS SGN IDS 2.51799
123 2I6U NVA 2.51799
124 4MZU TYD 2.51799
125 5KMS FAD 2.51799
126 1VJT NAD 2.51799
127 1DRV A3D 2.5641
128 5ULP KB1 2.61194
129 5NM7 GLY 2.63158
130 4C1K PEP 2.67176
131 1P19 IMP 2.71493
132 3MB5 SAM 2.7451
133 3KIF GDL 2.83019
134 1HDR NAD 2.86885
135 2GN4 UD1 2.8777
136 2GN4 NDP 2.8777
137 6BWL NAD 2.8777
138 1A5Z NAD 2.8777
139 5MDH NAD 2.8777
140 2UYQ SAM 2.8777
141 6CEP NAD 2.8777
142 2GZ3 NAP 2.8777
143 6CEP OXM 2.8777
144 1X87 NAD 2.8777
145 4MDH NAD 2.8777
146 1SQF SAM 2.8777
147 6GKV SAH 2.8777
148 3B20 NAD 2.8777
149 5Z21 NAI 2.8777
150 3CMC NAD 2.8777
151 2D2I NAP 2.8777
152 4LHD GLY 2.8777
153 1C0I FAD 2.8777
154 1C0I BE2 2.8777
155 3B1J NAD 2.8777
156 1N2X SAM 2.8777
157 6D6Y SAH 2.8777
158 1DJN ADP 2.8777
159 1U3U BNF 2.8777
160 1U3U NAD 2.8777
161 3KB6 NAD 2.8777
162 1RM4 NDP 2.8777
163 1J49 NAD 2.8777
164 4AP3 NAP 2.8777
165 4AP3 FAD 2.8777
166 1H82 GZZ 2.8777
167 3VYW SAM 2.8777
168 4DPL NAP 2.8777
169 4M73 SAH 2.8777
170 1H82 FAD 2.8777
171 1WG8 SAM 2.8777
172 6F90 MVL 2.8777
173 1U2Z SAH 2.8777
174 4PTN GXV 2.8777
175 5YB7 FAD 2.8777
176 5DWQ SFG 2.8777
177 5DXA SFG 2.8777
178 4M73 M72 2.8777
179 3G5S FAD 2.8777
180 5YB7 ORN 2.8777
181 2RGO FAD 2.8777
182 5DX8 SFG 2.8777
183 3RNM FAD 2.8777
184 2WA2 SAM 2.89855
185 5DMM HCS 2.90323
186 1TZD ADP 2.90909
187 1U4L H1S 2.94118
188 1JG3 ADN 2.97872
189 5EHS 2JJ 2.98507
190 5EHS 5OY 2.98507
191 5Y1G NAD 3.23741
192 5Y1G AKB 3.23741
193 4GKV NAD 3.23741
194 1SOW NAD 3.23741
195 1UWK URO 3.23741
196 1UWK NAD 3.23741
197 1ZQ9 SAM 3.23741
198 4KIB SAH 3.23741
199 1H9A NAP 3.23741
200 4L8V NAP 3.23741
201 3C1O NAP 3.23741
202 5JE8 NAD 3.23741
203 2OWZ CIT 3.23741
204 1G55 SAH 3.23741
205 5AYV NAP 3.23741
206 4XZ3 ACP 3.23741
207 3LKF PC 3.23741
208 2B4R NAD 3.23741
209 2B4R AES 3.23741
210 2Z9I GLY ALA THR VAL 3.23741
211 5ZYN FAD 3.23741
212 6GAS FAD 3.23741
213 3GXO SAH 3.25203
214 1KYQ NAD 3.28467
215 2BKA NDP 3.30579
216 3I6B KDO 3.33333
217 2DC1 NAD 3.38983
218 1I36 NAP 3.40909
219 2EJU SAH