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Receptor
PDB id Resolution Class Description Source Keywords
5XWV 1.8 Å EC: 1.1.1.100 SUBSTRATE-BOUND STRUCTURE OF A KETOREDUCTASE FROM THE SECOND THE AMPHOTERICIN POLYKETIDE SYNTHASES STREPTOMYCES NODOSUS MODULAR POLYKETIDE SYNTHEASE KETOREDUCTASE OXIDOREDUCTASE
Ref.: SUBSTRATE-BOUND STRUCTURES OF A KETOREDUCTASE FROM AMPHOTERICIN MODULAR POLYKETIDE SYNTHASE. J. STRUCT. BIOL. V. 203 135 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8H6 A:502;
B:502;
Valid;
Valid;
none;
none;
submit data
390.495 C17 H30 N2 O6 S CCC(=...
NDP B:501;
A:501;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XWV 1.8 Å EC: 1.1.1.100 SUBSTRATE-BOUND STRUCTURE OF A KETOREDUCTASE FROM THE SECOND THE AMPHOTERICIN POLYKETIDE SYNTHASES STREPTOMYCES NODOSUS MODULAR POLYKETIDE SYNTHEASE KETOREDUCTASE OXIDOREDUCTASE
Ref.: SUBSTRATE-BOUND STRUCTURES OF A KETOREDUCTASE FROM AMPHOTERICIN MODULAR POLYKETIDE SYNTHASE. J. STRUCT. BIOL. V. 203 135 2018
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3MJT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3MJE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 3MJV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 5XWV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 5XWW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 3MJS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3MJT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3MJE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 3MJV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 5XWV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 5XWW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 3MJS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3MJT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3MJE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 3MJV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 5XWV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 5XWW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 3MJS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2FR0 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2FR1 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8H6; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 8H6 1 1
2 PNY 0.555556 0.90566
3 PN4 0.545455 0.943396
4 ENV 0.492958 0.854545
5 ENW 0.479452 0.824561
6 PAU 0.467742 0.777778
7 PCO 0.463768 0.818182
8 PSR 0.4625 0.822581
9 0JR 0.461538 0.766667
10 H2V 0.45 0.793651
11 SH2 0.433735 0.701493
12 OPI 0.418919 0.872727
Ligand no: 2; Ligand: NDP; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 1DG 0.68 1
8 DG1 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XWV; Ligand: 8H6; Similar sites found with APoc: 853
This union binding pocket(no: 1) in the query (biounit: 5xwv.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3V2Q PLM None
3 6C4T NA7 0.888889
4 4WA2 SIA GAL NAG 1.00806
5 4URG C2E 1.1976
6 1GZ4 ATP 1.20968
7 1GQ2 NAP 1.20968
8 3ULK NDP 1.222
9 5E9W SAH 1.28205
10 5DF1 58X 1.3587
11 5DF1 NAP 1.3587
12 4EXO PYR 1.36986
13 1EBF NAD 1.39665
14 5FI3 NAP 1.40056
15 4KYS VIB 1.40515
16 3X0D SAH 1.41129
17 5WP5 SAH 1.42566
18 5WP4 SAH 1.42566
19 5MLR GRQ 1.45985
20 5MLR NAP 1.45985
21 3B20 NAD 1.47493
22 3B1J NAD 1.47493
23 1NYT NAP 1.47601
24 5W7M SAH 1.60256
25 5JJR SAH 1.6129
26 4TXI FAD 1.6129
27 2BRY FAD 1.6129
28 4UCI SAM 1.6129
29 1I8T FAD 1.63488
30 2GZ3 NAP 1.63934
31 1A05 IPM 1.67598
32 4KRG SAH 1.71674
33 2CUL FAD 1.72414
34 4GKV NAD 1.78571
35 1KJ8 GAR 1.79028
36 1VKO NAD 1.81452
37 1TI7 NAP 1.81452
38 1LLU NAD 1.81452
39 4KRI SAH 1.81452
40 6EL3 NAP 1.83727
41 4CJX NAP 1.88088
42 1TFZ 869 1.88679
43 1U8X NAD 1.90678
44 4D3F NAP 1.93548
45 5JE8 NAD 1.98676
46 2CDU ADP 1.99115
47 5OJL TXP 2.01342
48 1H16 PYR 2.01613
49 1GPM CIT 2.01613
50 3BOF HCS 2.01613
51 1QMG APX 2.01613
52 1F9V ADP 2.01729
53 2ZIF SAM 2.0202
54 2JAP NDP 2.02429
55 2JAH NDP 2.02429
56 2JAP J01 2.02429
57 6C4A PYR 2.0362
58 4M37 SAH 2.04082
59 2H6T IVA VAL VAL STA ALA STA 2.05882
60 5AOV NAP 2.08333
61 5ERG SAM 2.08877
62 1NVT NAP 2.09059
63 3DMH SAM 2.09974
64 1V6A TRE 2.10843
65 1CDO NAD 2.13904
66 3GMB FAD 2.16867
67 1LVL NAD 2.18341
68 1PJS NAD 2.18818
69 1VQW FAD 2.18818
70 3QF7 ANP 2.19178
71 5VKT NAP 2.20994
72 5ZI2 NAD 2.21774
73 5ZI2 ADP 2.21774
74 5NA1 FAD 2.21774
75 5JWC FAD 2.21774
76 2PX8 SAH 2.23048
77 5Z21 NAI 2.23464
78 1HKU NAD 2.23464
79 2GVC FAD 2.23714
80 2B5W NAP 2.2409
81 4RSL FAD 2.24719
82 1YKD CMP 2.26131
83 1KEV NDP 2.2792
84 2AG8 NAP 2.28137
85 4DMG SAM 2.29008
86 3X01 AMP 2.29008
87 1P31 EPU 2.31579
88 3A25 SAM 2.32558
89 4XDZ NDP 2.33236
90 4OBW SAM 2.33463
91 1N7G GDR 2.3622
92 1N7G NDP 2.3622
93 2D2I NAP 2.36842
94 1VL0 NAI 2.39726
95 5NUF NAD 2.40964
96 5NUE NAD 2.40964
97 2GLX NDP 2.40964
98 1Y1P NMN AMP PO4 2.41935
99 1SOW NAD 2.41935
100 4E5N NAD 2.42424
101 5WGG SAM 2.42826
102 2HJR APR 2.43902
103 3ABI NAD 2.46575
104 3VSE SAH 2.51256
105 3K6V CIT 2.54237
106 1U1I NAD 2.55102
107 4H6B 10X 2.5641
108 3KLJ FAD 2.5974
109 1F8G NAD 2.60417
110 1L7E NAI 2.60417
111 1L3I SAH 2.60417
112 2VZ0 D64 2.61194
113 2VZ0 NAP 2.61194
114 2WD7 NAP 2.61194
115 4GLL NAD 2.62097
116 5IN4 6CK 2.62097
117 5IN4 GDP 2.62097
118 5IN4 NAP 2.62097
119 2PV7 NAD 2.62097
120 1PZG A3D 2.62097
121 5DNK SAH 2.62097
122 2P41 SAH 2.62295
123 5X9D 80F 2.63158
124 2VCN ISZ 2.68199
125 1NFQ NAI 2.69231
126 1G60 SAM 2.69231
127 1SC6 NAD 2.72277
128 1V35 NAI 2.73556
129 5Y77 FAD 2.74841
130 2CVQ NDP 2.75229
131 3B1F NAD 2.75862
132 2NU8 COA 2.77778
133 1OMO NAD 2.79503
134 1GY8 NAD 2.82258
135 2Q46 NAP 2.82258
136 3HB5 NAP 2.82258
137 1MXH DHF 2.82258
138 1MXH NAP 2.82258
139 4PLG OXM 2.82258
140 4PLG NAI 2.82258
141 1A27 NAP 2.82258
142 3WV8 ATP 2.82258
143 1A27 EST 2.82258
144 3HB5 E2B 2.82258
145 1JQ3 AAT 2.82258
146 1UP7 NAD 2.82258
147 2ZWA SAH 2.82258
148 3K56 IS3 2.82258
149 3OA2 NAD 2.83019
150 5XL4 SIA 2.84091
151 3GFB NAD 2.85714
152 5KKA 6V0 2.88462
153 1E5Q NDP 2.88889
154 1E5Q SHR 2.88889
155 2BKA NDP 2.89256
156 2BKX F6R 2.89256
157 6C4N NAP 2.89532
158 4OM8 NAD 2.91262
159 1KYQ NAD 2.91971
160 6FS8 E4Z 2.92683
161 4FZV SAM 2.92887
162 3C3Y SAH 2.95359
163 1TB4 PEJ 2.96496
164 1JE1 GMP 2.9661
165 1YJQ NAP 2.9703
166 4ITU NAI 2.97398
167 4ITU 1HS 2.97398
168 2YX1 SFG 2.97619
169 1MV8 NAD 2.98165
170 1MUU NAD 2.98165
171 5CUQ NSC 2.99625
172 1DSS NAD 3.003
173 1J0X NAD 3.01205
174 5CC2 CKA 3.01887
175 3H5N ATP 3.02419
176 4C4A SAH 3.02419
177 2I3G NAP 3.02419
178 4XYB NDP 3.06905
179 2NVK NAP 3.07377
180 5V4R MGT 3.08642
181 4JK3 NAD 3.0888
182 1Q0S SAH 3.0888
183 1IZE IVA VAL VAL STA ALA STA 3.09598
184 5ZW3 SAH 3.11111
185 3OJF IMJ 3.11284
186 3OJF NDP 3.11284
187 1V59 NAD 3.13808
188 5UR0 NAD 3.15186
189 2F57 23D 3.15457
190 3PUN FUC GAL NDG FUC 3.16456
191 6C4M NAP 3.16456
192 4E13 NAD 3.18021
193 1HYE NAP 3.19489
194 3TLJ SAH 3.21716
195 5F7R GLC GLC 3.21782
196 3ICC NAP 3.22581
197 4FC7 COA 3.22581
198 4FC7 NAP 3.22581
199 1GV0 NAD 3.22581
200 1GUZ NAD 3.22581
201 1EZ4 NAD 3.22581
202 5U5N NAD 3.22581
203 3ICS ADP 3.22581
204 2A92 NAI 3.22581
205 3ICT ADP 3.22581
206 2IZ1 ATR 3.22581
207 1HDG NAD 3.22581
208 2JHP SAH 3.22581
209 4XFR CIT 3.22581
210 4RF7 ARG 3.22581
211 1IGW PYR 3.22581
212 4UZI IMD 3.22581
213 5W3K 9TY 3.23529
214 1UXG NAD 3.23625
215 1UXG FUM 3.23625
216 4MP8 NAD 3.24484
217 4MP8 MLI 3.24484
218 2PXX SAH 3.25581
219 1RM4 NDP 3.2641
220 3EVG SAH 3.27273
221 1HDR NAD 3.27869
222 3ZQE DXC 3.27869
223 5CG1 NAD BBN 3.27869
224 1O5Q PYR 3.27869
225 6FDF SAH 3.29341
226 1H9A NAP 3.29897
227 6A0S HSE 3.31325
228 6A0S NDP 3.31325
229 2VYN NAD 3.32326
230 4PLT NAI 3.32326
231 4PLT OXM 3.32326
232 1GAD NAD 3.33333
233 4DPL NAP 3.34262
234 3BXO SAM 3.34728
235 1WY7 SAH 3.38164
236 5Y8L NAD 3.38983
237 1LC3 NAD 3.40136
238 1SB8 UD2 3.40909
239 1SB8 NAD 3.40909
240 1T26 GBD 3.41615
241 1T26 NAI 3.41615
242 1E7S NAP 3.42679
243 3AFN NAP 3.42742
244 5ZA2 NXL 3.42742
245 1W0O SIA 3.42742
246 1NM5 NAD 3.44828
247 3GFS FMN 3.44828
248 1R37 NAD 3.45821
249 1WP4 NDP 3.46021
250 2CVZ NDP 3.46021
251 1F8F NAD 3.50404
252 2DKN NAI 3.52941
253 4MGD 27N 3.52941
254 4IXW IXW 3.54331
255 1R6D DAU 3.56083
256 1R6D NAD 3.56083
257 3V1Y NAD 3.56083
258 6CR2 LFV 3.56394
259 2V6G NAP 3.57143
260 5HES 032 3.58306
261 4MDH NAD 3.59281
262 3KB6 NAD 3.59281
263 5MDH NAD 3.6036
264 1EYQ NAR 3.6036
265 2IXB NAD 3.6036
266 2IXB A2G 3.6036
267 1J49 NAD 3.6036
268 1PR9 NAP 3.62903
269 3WW2 SF9 3.62903
270 3IHG FAD 3.62903
271 1OH2 SUC 3.63196
272 1BW9 NAD 3.65169
273 1BXG NAD 3.65169
274 2VDV SAM 3.65854
275 1C1X NAD 3.66197
276 4Q9N NAI 3.69128
277 4Q9N 0WE 3.69128
278 5HZ9 5M8 3.7037
279 5U5G NAP 3.72881
280 1FWV SGA MAG FUC 3.73134
281 1LTH NAD 3.76176
282 5KOK SAH 3.77834
283 5YU3 NAD 3.77907
284 5YU3 PRO 3.77907
285 2JFV FLC 3.78007
286 2C5A GDC 3.83065
287 2C5A NAD 3.83065
288 1X87 NAD 3.83065
289 3GEG NAD 3.83065
290 5H81 NAP 3.83065
291 4EUE NAI 3.83065
292 1X9I G6Q 3.83065
293 5X68 FAD 3.83632
294 3KCC CMP 3.84615
295 1LJ8 NAD 3.85396
296 1M2W NAD 3.85396
297 3O26 NDP 3.85852
298 5LOG SAH 3.86266
299 3L9W AMP 3.87409
300 3L9W GSH 3.87409
301 5AYV NAP 3.8835
302 5AYV KPL 3.8835
303 3GCZ SAM 3.90071
304 5C9J DAO 3.91459
305 3MB5 SAM 3.92157
306 1NNU NAD 3.93013
307 1NNU TCT 3.93013
308 3RJ5 NAD 3.93701
309 4F4S EFO 3.94737
310 1LDM NAD 3.95137
311 5BSH PRO 3.97112
312 4XQC NAD 4
313 4XQC 13D 4
314 2JL1 NAP 4.03226
315 1PL6 NAD 4.03226
316 1PL6 572 4.03226
317 1DJN ADP 4.03226
318 1A5Z NAD 4.07523
319 4YCA NDP 4.08163
320 1FDJ 13P 4.13223
321 1PNF NDG NAG 4.14013
322 5F5N NAD 4.15225
323 4L8V NAP 4.1543
324 4BVA NDP 4.1791
325 2DBZ NAP 4.19162
326 1HYH NAD 4.20712
327 4BHL ARG 4.21348
328 4BG4 ARG 4.21348
329 3GU3 SAH 4.22535
330 1RP0 AHZ 4.22535
331 6BQ6 TER 4.22961
332 3NB0 G6P 4.23387
333 1PNO NAP 4.23387
334 4R84 CSF 4.23387
335 1YQD NAP 4.23387
336 5LX9 OLB 4.23453
337 1YS4 NAP 4.23729
338 1E3I CXF 4.25532
339 2ZSC BTN 4.25532
340 2YVE MBT 4.32432
341 4D79 ATP 4.34783
342 1DJL NAP 4.34783
343 5WHT SIA GAL 4.34783
344 2PT9 2MH 4.36137
345 2PT9 S4M 4.36137
346 5CHR 4NC 4.37956
347 1GJW GLC 4.3956
348 5FUW THM 4.3956
349 3G89 SAM 4.41767
350 5N5D SAM 4.42478
351 1YP4 ADP 4.43459
352 3H4V DVP 4.43548
353 3H4V NAP 4.43548
354 3LJU IP9 4.43548
355 5K7U SAM 4.44444
356 1K3T BRZ 4.45682
357 5C9P FUC 4.46194
358 5LD5 NAD 4.46927
359 5CAE COA 4.47284
360 5CAE SIN 4.47284
361 1TOQ AMG 4.51128
362 1KUJ MMA 4.51128
363 1M26 GAL A2G 4.51128
364 1UGY GLA BGC 4.51128
365 1JAC AMG 4.51128
366 1UGW GAL 4.51128
367 1WS5 MMA 4.51128
368 1WS4 GYP 4.51128
369 1UGY GLA GLC 4.51128
370 3S5W FAD 4.53564
371 4LHM AZZ 4.54545
372 2ATJ BHO 4.54545
373 3VYW SAM 4.54545
374 2EV9 NAP 4.56274
375 2EV9 SKM 4.56274
376 2OOR NAD 4.5977
377 3A06 NDP 4.6371
378 3A06 FOM 4.6371
379 5E72 SAM 4.6371
380 1O0S NAI 4.6371
381 4LWP SAH 4.6371
382 1C9H RAP 4.6729
383 2WA2 SAM 4.71014
384 1D7O TCL 4.7138
385 1D7O NAD 4.7138
386 1J5P NAD 4.74308
387 5OCA 9QZ 4.7619
388 2OL1 UMP 4.7619
389 2VHW NAI 4.77454
390 2YY7 NAD 4.80769
391 3KO8 NAD 4.83871
392 3VPH NAD 4.83871
393 3VPH OXM 4.83871
394 6BII NAP 4.83871
395 3ENV ABF 4.83871
396 2GCG NDP 4.84848
397 4RDH AMP 4.86111
398 4RDI ATP 4.86111
399 1B8U NAD 4.86322
400 1B8U OAA 4.86322
401 1D4O NAP 4.8913
402 1ZQ9 SAM 4.91228
403 2XYQ SAH 4.91803
404 2JJQ SAH 4.94118
405 3I9U DTU 4.94297
406 5N26 CPT 4.94506
407 2I7C AAT 4.947
408 5IL1 SAM 5
409 2EJU SAH 5.02645
410 3TL1 JRO 5.03145
411 4R5M NAP 5.04032
412 4R5M 4NO 5.04032
413 4OOE FOM 5.04032
414 4OOE NDP 5.04032
415 1FK8 NAD 5.05837
416 2HK9 ATR 5.09091
417 2HK9 NAP 5.09091
418 3LCC SAH 5.10638
419 1P77 ATR 5.14706
420 5OCM NAP 5.15464
421 2UYQ SAM 5.16129
422 1JAY NAP 5.18868
423 3H9E NAD 5.20231
424 1Y8Q ATP 5.20231
425 5A1T NAI 5.24194
426 5A1T OXM 5.24194
427 1NW5 SAM 5.24194
428 2X3J ATP 5.24194
429 3SSO SAH 5.2506
430 5UAV NDP 5.2795
431 5UAV TFB 5.2795
432 2AG5 NAD 5.28455
433 2PK3 A2R 5.29595
434 1C3V NDP 5.30612
435 5OOH NAP 5.33981
436 5OOH 9ZZ 5.33981
437 1P0F NAP 5.36193
438 2CUN 3PG 5.36585
439 6A3J NAI 5.36585
440 3DUW SAH 5.38117
441 5MSO NAP 5.44355
442 4JP3 CIT 5.44355
443 4U7W NDP 5.44355
444 2Q0L NAP 5.46624
445 5O42 9JW 5.47445
446 5O42 BGC 5.47445
447 5O42 NAD 5.47445
448 3LU1 NAD 5.49451
449 1DRV A3D 5.49451
450 2YVJ NAI 5.50459
451 5GZ6 NDP 5.52147
452 5GZ6 7C3 5.52147
453 2Q1S NAI 5.57029
454 1ZH8 NAP 5.58824
455 2AJH MET 5.61225
456 4XDY NAI 5.6213
457 3WIR BGC 5.64516
458 2O1V ADP 5.64516
459 5JAQ NAI 5.66502
460 5N6C NAD 5.66667
461 1O94 ADP 5.68182
462 1RJD SAM 5.68862
463 1I2B NAD 5.69307
464 1I2B USQ 5.69307
465 1I2B UPG 5.69307
466 4O1M NAD 5.71429
467 1CER NAD 5.74018
468 5KVA SAM 5.7554
469 1Q1Y BB2 5.75916
470 2Y6Q FAD 5.77889
471 1JGS SAL 5.7971
472 4O0L NDP 5.81818
473 5F8F SFG 5.83554
474 1NPD NAD 5.84677
475 1VI2 NAD 5.84677
476 1H2B NAJ 5.84958
477 3A27 SAM 5.88235
478 4YUW S4M 5.92105
479 4YUW 4JU 5.92105
480 2VWA PTY 5.94059
481 1W8D NAP 5.96026
482 1W73 NAP 5.96026
483 4KOA NDP 6.00601
484 1JOT GAL A2G 6.01504
485 3CBG SAH 6.03448
486 5Z2F NAP 6.03774
487 3RFV NAI 6.04839
488 1WDK NAD 6.04839
489 3RFV 15L 6.04839
490 3OJO NAD 6.04839
491 1X14 NAD 6.04839
492 1U1J MET 6.04839
493 2G5C NAD 6.04982
494 2DFV NAD 6.05187
495 1I9G SAM 6.07143
496 2F1K NAP 6.09319
497 3CIF NAD 6.12813
498 3CIF G3H 6.12813
499 1NW4 IMH 6.15942
500 3AB4 THR 6.17978
501 4MJ0 SIA SIA 6.18182
502 4NG2 OHN 6.19469
503 3ITJ CIT 6.21302
504 4JBI NDP 6.21622
505 4ZGS NAD 6.21762
506 3GDH SAH 6.22407
507 2GN4 UD1 6.25
508 2GN4 NDP 6.25
509 4D42 W0I 6.25
510 4D42 NAP 6.25
511 5WQP NCA 6.25
512 5WQP NAP 6.25
513 3L4S NAD 6.25
514 3PT9 SAH 6.25
515 3L4S 3PG 6.25
516 1X7D NAD 6.25
517 1UW1 ADP 6.25
518 1SQF SAM 6.25
519 2IRY DGT 6.27063
520 4ZA2 NAD 6.32411
521 1LDN NAD 6.32911
522 5Z20 NAI 6.37681
523 4RQU NAD 6.4
524 5Z75 NAD 6.42202
525 4YAG NAI 6.45161
526 5Y1G AKB 6.45161
527 5Y1G NAD 6.45161
528 4RHP PEF 6.45161
529 1PS9 NAP 6.45161
530 5W7K SAH 6.45161
531 3WLE NAD 6.45161
532 3H8V ATP 6.50685
533 5OJI NAP 6.53846
534 5OJI ISN 6.53846
535 3LKZ SFG 6.54206
536 6GKV SAH 6.55271
537 3D3W NAP 6.55738
538 5OFI 9TQ 6.55738
539 5OVX AY5 6.55738
540 5VN0 NAI 6.56371
541 2Q1W NAD 6.60661
542 4W6Z 8ID 6.62824
543 1U7T TDT 6.65323
544 1EQ2 NAP 6.65323
545 2X6T NAP 6.65323
546 1U7T NAD 6.65323
547 3OIG NAD 6.65323
548 5E9G GLV 6.65323
549 2PZM UDP 6.66667
550 2PZM NAD 6.66667
551 4CCW VKC 6.68896
552 3G2O SAM 6.68896
553 5G4L NDP 6.85484
554 1LUA NAP 6.85484
555 1D1T NAD 6.85484
556 4N49 SAM 6.85484
557 5XVH NAP 6.86275
558 5BZ4 COA 6.87961
559 2WYV NAD 6.89655
560 2QZZ NAP 6.91824
561 2QZZ EMF 6.91824
562 1O6Z NAD 6.93069
563 3A28 NAD 6.97674
564 3GGO NAI 7.00637
565 3GGO ENO 7.00637
566 3A4V PYR 7.05645
567 3A4V NAD 7.05645
568 3C1O NAP 7.05645
569 2DKH FAD 7.05645
570 2YYY NAP 7.05645
571 3GRU AMP 7.11864
572 3O7W SAM 7.14286
573 4MRP GSH 7.16612
574 4Z0H NAD 7.18563
575 2CFC NAD 7.2
576 2CFC KPC 7.2
577 1TW4 CHD 7.2
578 3BAZ NAP 7.20721
579 5L4L 7OX 7.23684
580 5L4L NAP 7.23684
581 1OAA OAA 7.25806
582 3I6I NDP 7.25806
583 3EGI ADP 7.28155
584 6AA8 NAD 7.28477
585 1QAN SAH 7.37705
586 3FUU ADN 7.38007
587 2DPM SAM 7.39437
588 3KVY R2B 7.44337
589 1YXM ADE 7.45968
590 1KEW NAD 7.45968
591 1KEW TYD 7.45968
592 5WUW NAP 7.45968
593 5D4V SAH 7.46269
594 2GDZ NAD 7.49064
595 3SJU NDP 7.52688
596 9LDT NAD 7.53012
597 9LDB NAD 7.53012
598 4ZVV NAD 7.53012
599 4ZVV GN0 7.53012
600 4OHU NAD 7.61246
601 4OHU 2TK 7.61246
602 4J7U YTZ 7.63889
603 4J7U NAP 7.63889
604 4URF NAD 7.66129
605 5L53 NAP 7.66129
606 1NVM NAD 7.66129
607 2PWY SAH 7.75194
608 1Z6Z NAP 7.80142
609 4PVD NDP 7.8629
610 4G5H UD7 7.8629
611 4G5H NAP 7.8629
612 4XB2 NDP 7.8629
613 4XB2 HSE 7.8629
614 4CFS HQD 7.8629
615 1GRN AF3 7.88177
616 4NEC SAH 7.95455
617 5TH5 MET 7.98479
618 5JDI NAP 7.98611
619 4CM8 NAP 7.98611
620 5K6A NAP 7.98611
621 5JCJ NAP 7.98611
622 5JDC NAP 7.98611
623 4CM9 NAP 7.98611
624 3BMN NAP 7.98611
625 4CLR NAP 7.98611
626 3BMO NAP 7.98611
627 4CMI NAP 7.98611
628 3BMQ NAP 7.98611
629 4CM4 NAP 7.98611
630 3JQF NAP 7.98611
631 3JQG NAP 7.98611
632 3JQA NAP 7.98611
633 3JQ9 NAP 7.98611
634 3JQ7 NAP 7.98611
635 4CME NAP 7.98611
636 3JQB NAP 7.98611
637 4CLO NAP 7.98611
638 4CME KTZ 7.98611
639 4CM9 YGL 7.98611
640 3JQ8 NAP 7.98611
641 5JCJ 6JM 7.98611
642 5JDC 6JP 7.98611
643 4CMI M4V 7.98611
644 2C29 NAP 8.01187
645 2C29 DQH 8.01187
646 3CH6 NAP 8.04196
647 3CH6 311 8.04196
648 3PLS ANP 8.05369
649 2DT5 NAD 8.05687
650 1OC2 NAD 8.06452
651 1OC2 TDX 8.06452
652 5BJX NAD 8.06452
653 5BJX UDP 8.06452
654 1SAY PYR 8.06452
655 5GLT BGC GAL NAG GAL 8.09859
656 2YFB SIN 8.13953
657 5L4S NAP 8.1761
658 5L4S 6KX 8.1761
659 5N2I NAP 8.18966
660 3EMY IVA VAL VAL STA ALA STA 8.20669
661 5TC4 NAD 8.22785
662 5DN9 NAD 8.24176
663 1UDB NAD 8.26613
664 1UDB UFG 8.26613
665 1BXK NAD 8.26613
666 4DCM SAM 8.26667
667 2DTX BMA 8.33333
668 4K26 SFF 8.33333
669 4K26 NDP 8.33333
670 5I7S NAD 8.33333
671 5I7S E9P 8.33333
672 2PD4 NAD 8.36364
673 2PD4 DCN 8.36364
674 2EWM NAD 8.43373
675 2RH4 EMO 8.46774
676 5GWT SIN 8.46774
677 5GWT NAD 8.46774
678 5T2U NAP 8.46774
679 5W3Y ACO 8.52273
680 3WBF NAP 8.52459
681 3WBF API 8.52459
682 5Z2L NDP 8.57143
683 1W6U NAP 8.60927
684 1E3W NAD 8.66935
685 1E6W NAD 8.66935
686 5ZEC NAP 8.66935
687 5N53 8NB 8.71795
688 4A7W GTP 8.75
689 5L95 AMP 8.75
690 4GKY MAN 8.81226
691 1FQK ALF 8.84354
692 4YAC NAI 8.87097
693 1ZK4 NAP 8.87097
694 1ZK4 AC0 8.87097
695 3NUG NAD 8.90688
696 1XKQ NDP 8.92857
697 3TN7 NJP 8.94942
698 1RPN NDP 8.95522
699 4TQG NDP 8.97833
700 1SNY NAP 9.07258
701 1I36 NAP 9.07258
702 5E8J SAH 9.09091
703 5O98 NAP 9.14826
704 4MO4 ACP 9.16442
705 5T9E NAP 9.22509
706 5T9F TYR 9.22509
707 5T9F NAP 9.22509
708 4KIB SAH 9.2437
709 4FN4 NAD 9.27419
710 3ORF NAD 9.27419
711 1QG6 TCL 9.27419
712 1QG6 NAD 9.27419
713 2VUT NAD 9.30233
714 5TQZ GLC 9.33333
715 3VV1 GAL FUC 9.375
716 1IM8 SAI 9.42623
717 5K4W THR 9.47581
718 5K4W NAI 9.47581
719 4POO SAM 9.5
720 2B4R NAD 9.56522
721 2B4R AES 9.56522
722 5RHN 8BR 9.56522
723 5C1M OLC 9.6
724 3E3U NVC 9.64467
725 1VM6 NAD 9.64912
726 4Y9D NAI 9.67742
727 3WXB NDP 9.67742
728 5EES NAP 9.7166
729 2EXX NAP 9.80392
730 1GEG NAD 9.87903
731 5EJ2 NAD 9.87903
732 5ZZ6 ADP 9.87903
733 1N5D NDP 9.87903
734 5ZZ6 NAD 9.87903
735 5A04 NDP 10.0295
736 5A04 BGC 10.0295
737 2WSB NAD 10.0806
738 1WMA NDP 10.0806
739 1WMA AB3 10.0806
740 5YEC ATP 10.084
741 1E6E FAD 10.1562
742 3O03 NAP 10.2823
743 2HMT NAI 10.4167
744 6CEP NAD 10.479
745 6CEP OXM 10.479
746 3U4C NDP 10.4839
747 1G0N NDP 10.4839
748 1G0N PHH 10.4839
749 2BD0 NAP 10.4839
750 5EPO TUD 10.4839
751 3QV1 NAD 10.4839
752 5EPO NAP 10.4839
753 4NZ6 DGL 10.5431
754 2AE2 PTO 10.6855
755 2AE2 NAP 10.6855
756 1Z45 NAD 10.6855
757 1Z45 UPG 10.6855
758 1DL5 SAH 10.7256
759 1XHL NDP 10.7744
760 1XG5 NAP 10.8871
761 1CF2 NAP 10.9792
762 3DXY SAM 11.0092
763 5THQ NDP 11.0294
764 2XVM SAH 11.0553
765 2Q2V NAD 11.2903
766 3AY6 BGC 11.2903
767 3AY6 NAI 11.2903
768 5X20 NAD 11.2903
769 1LSS NAD 11.4286
770 4RF2 NAP 11.4919
771 4QED NAP 11.4919
772 1ORR NAD 11.4919
773 1EK6 NAI 11.4919
774 1EK6 UPG 11.4919
775 1GEE NAD 11.4919
776 6BWL NAD 11.4919
777 1RKX NAD 11.4919
778 5GT9 NAP 11.4919
779 1WVG APR 11.4919
780 1F06 NDP 11.5625
781 1UAY ADN 11.5702
782 2WDQ CBE 11.6279
783 4II2 ATP 11.6564
784 1JA9 NDP 11.6788
785 1JA9 PYQ 11.6788
786 4R1S NAP 11.6935
787 4ZRN UPG 11.6935
788 4ZRN NAD 11.6935
789 6DNT NAD 11.6935
790 5YSS NAD 11.6935
791 1XSE NDP 11.8644
792 2DC1 NAD 11.8644
793 4CQM NAP 11.8952
794 5B4T NAD 11.8952
795 5B4T 3HR 11.8952
796 1X1T NAD 11.8952
797 5FEU NAP 11.8952
798 2RIF AMP 12.0567
799 2VT3 ATP 12.093
800 3QWI NAP 12.0968
801 3QWI CUE 12.0968
802 2GUC MAN 12.2951
803 2HYQ MAN MAN 12.2951
804 2HYR BGC GLC 12.2951
805 2GUD MAN 12.2951
806 2NUO BGC 12.2951
807 3OID NDP 12.4031
808 3OID TCL 12.4031
809 3ZV6 4HB 12.5
810 3ZV6 NAD 12.5
811 6F9Q NAD 12.9032
812 3AI3 SOL 12.9278
813 3O94 NCA 13.2701
814 4DR9 BB2 13.5417
815 4UP3 NDP 13.6943
816 1EDO NAP 13.7097
817 3WBG 2AN 13.7255
818 5X80 SAL 13.75
819 1BDB NAD 13.9113
820 2BOS GLA GAL GLC 14.7059
821 2BOS GLA GAL 14.7059
822 4NBW NAD 14.7177
823 2ZAT NAP 15.3846
824 3VY6 BGC BGC 15.6028
825 4OSP NAP 15.7258
826 4OSP 2V4 15.7258
827 2BGM NAJ 15.8273
828 3WMX NAD 16.2011
829 4ZU3 4SD 16.2996
830 4KWI 1TJ 17.3387
831 4KWI NAP 17.3387
832 3OFK SAH 17.5926
833 3RGG AIR 18.239
834 1HDC CBO 18.3468
835 5EIN NAP 18.5185
836 1ZBQ NAD 21.4067
837 4PIV NDP 21.5726
838 4PIV 2W4 21.5726
839 1VL8 NAP 21.7228
840 1ZEM NAD 21.7557
841 1GZ6 NAI 22.2571
842 5FFF 5XC 22.9572
843 5FFF NAP 22.9572
844 1AE1 NAP 24.9084
845 4NBU NAI 25.2
846 4NBU CAA 25.2
847 4M38 SAH 28.5714
848 5FA5 MTA 30
849 1H5Q NAP 32.8302
850 1IY8 NAD 34.8315
851 3VZS NAP 35.4086
852 3VZS CAA 35.4086
853 4HXY NDP 47.2603
Pocket No.: 2; Query (leader) PDB : 5XWV; Ligand: 8H6; Similar sites found with APoc: 121
This union binding pocket(no: 2) in the query (biounit: 5xwv.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 2QJN KDG 1.24378
2 5H04 NAI 1.43198
3 3G5N PB2 1.47059
4 3HQP OXL 1.6129
5 3PUA OGA 1.81452
6 1QSN COA 1.85185
7 5EGH PC 1.8648
8 1F3L SAH 1.86916
9 3K5I AIR 1.98511
10 4CJN QNZ 2.01613
11 1GPM AMP 2.01613
12 2QA1 FAD 2.01613
13 6ECT SAM 2.18069
14 1OX5 1PR 2.21774
15 2GV8 FAD 2.23714
16 5ULP KB1 2.23881
17 1YBQ BDH 2.30769
18 5K1F IMP 2.45902
19 4H6B 10Y 2.5641
20 2BZG SAH 2.58621
21 3TWO NDP 2.58621
22 2WD7 VGD 2.61194
23 6IIU A8X 2.68595
24 3H7J PPY 2.88066
25 3O9Z AKG 2.88462
26 2GWD GLU 2.89532
27 2HNK SAH 2.92887
28 4EVQ PHB 2.93333
29 1O6U PLM 2.97767
30 4CNE SAH 2.99625
31 1GR0 NAD 2.99728
32 2FVK DUC 3.02419
33 5OSW DIU 3.02419
34 1SJD NPG 3.02419
35 5KIQ SIA GAL NAG FUC 3.04569
36 5LFV SIA GAL NAG 3.15457
37 4FBL SPD 3.20285
38 4Z7X 3CX 3.22581
39 1FP1 SAH 3.22581
40 6GAS FAD 3.22581
41 5W3K NDP 3.23529
42 2ZFU SAH 3.25581
43 1ZED PNP 3.30579
44 2FAV APR 3.33333
45 1ZGA SAH 3.36134
46 5YAP NAI 3.42105
47 5X62 SAH 3.44828
48 1XHC FAD 3.54223
49 1Y42 TYR 3.57143
50 3KIF GDL 3.77358
51 1EJ0 SAM 3.88889
52 4I53 1C1 3.91061
53 3PXP MYR 4.10959
54 5YF1 SFG 4.14365
55 5YRG BGC GLC 4.22535
56 5YRJ BGC GLC 4.22535
57 1FP2 SAH 4.23387
58 3GC8 B45 4.23387
59 5WHT SIA GAL GLC 4.34783
60 4G86 BNT 4.43548
61 1G2O IMH 4.47761
62 2OOR TXP 4.5977
63 3G5S FAD 4.6371
64 1JG3 ADN 4.68085
65 2NXE SAM 4.72441
66 1L7N AF3 4.73934
67 3RFA SAM 4.83871
68 1T3D CYS 4.84429
69 5I7Y 69G 4.9505
70 4YMH SAH 5
71 3KMT SAH 5.04202
72 3JWH SAH 5.06912
73 3GXO SAH 5.14905
74 2F7A BEZ 5.17241
75 4H2D FMN 5.45455
76 5DOZ NDP 5.64516
77 6F9G PUT 5.919
78 2QZX IVA VAL VAL STA ALA STA 6.14035
79 3EWP APR 6.21469
80 2W3L DRO 6.25
81 5C2N NAG 6.25
82 2O07 MTA 6.25
83 3VKC FPQ 6.25
84 2O07 SPD 6.25
85 1X7D ORN 6.25
86 5LW0 AR6 6.49351
87 5F7J ADE 6.5625
88 6FOF LAT 6.63265
89 3WQQ NDP 6.65323
90 3WQQ IB3 6.65323
91 5H2U 1N1 6.74157
92 2NGR AF3 6.83761
93 6CS8 F9Y 6.85484
94 4PNE SAH 6.95364
95 6ECU SAH 7.59494
96 1KYZ SAH 7.67123
97 5J32 IPM 7.69231
98 2C91 TLA 7.69231
99 3X27 TRP 7.76119
100 1H70 CIR 7.84314
101 1AV5 AP2 7.93651
102 3JQ8 DX3 7.98611
103 3JQB DX6 7.98611
104 4CM8 IZ9 7.98611
105 3JQ9 AX1 7.98611
106 3BMO AX4 7.98611
107 4CM4 4NR 7.98611
108 3JQG AX6 7.98611
109 2FWP CIT 9.28962
110 5G6U TRP 9.57854
111 5O96 SAM 9.79592
112 5TWJ SAM 9.87654
113 1RM0 NAI 9.87903
114 1YC5 NCA 10.1626
115 3MCT SAH 10.4377
116 2Z49 AMG 11.4919
117 4JLS 3ZE 12.5
118 1FQJ ALF 16.6667
119 5V6F MAN BMA MAN 21.0145
120 4QTU SAM 22.963
121 4GQB 0XU 27.2727
Pocket No.: 3; Query (leader) PDB : 5XWV; Ligand: NDP; Similar sites found with APoc: 822
This union binding pocket(no: 3) in the query (biounit: 5xwv.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 6C4T NA7 0.888889
2 1GZ4 ATP 1.20968
3 1GQ2 NAP 1.20968
4 3ULK NDP 1.222
5 5E9W SAH 1.28205
6 5DF1 58X 1.3587
7 5DF1 NAP 1.3587
8 1EBF NAD