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Receptor
PDB id Resolution Class Description Source Keywords
5JDI 1.38 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH COFACTOR AND INHIBIT H024 (COMPOUND 2) TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXYDOREDUCTASE INHOXIDOREDUCTASE
Ref.: PROFILING OF FLAVONOL DERIVATIVES FOR THE DEVELOPME ANTITRYPANOSOMATIDIC DRUGS. J.MED.CHEM. V. 59 7598 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:301;
D:301;
C:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
6JO B:302;
A:304;
D:302;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
270.237 C15 H10 O5 c1cc(...
ACT C:302;
A:303;
A:302;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JDI 1.38 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH COFACTOR AND INHIBIT H024 (COMPOUND 2) TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXYDOREDUCTASE INHOXIDOREDUCTASE
Ref.: PROFILING OF FLAVONOL DERIVATIVES FOR THE DEVELOPME ANTITRYPANOSOMATIDIC DRUGS. J.MED.CHEM. V. 59 7598 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5JDI - 6JO C15 H10 O5 c1cc(cc(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5JDI - 6JO C15 H10 O5 c1cc(cc(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5JDI - 6JO C15 H10 O5 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Ligand no: 2; Ligand: 6JO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 6JO 1 1
2 6JM 0.660714 0.966667
3 FL8 0.426471 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JDI; Ligand: 6JO; Similar sites found with APoc: 122
This union binding pocket(no: 1) in the query (biounit: 5jdi.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZFZ ARG None
2 6F5W KG1 0.694444
3 4GU5 FAD 1.38889
4 5JKG 6LF 2.08333
5 4I3V NAD 2.08333
6 3VP6 HLD 2.43056
7 4INB 1F6 2.73973
8 4GLL NAD 2.77778
9 4TQG NDP 2.78638
10 3B7G ANP 3.04348
11 3FD5 AP2 3.125
12 1I2B USQ 3.21782
13 1I2B UPG 3.21782
14 1I2B NAD 3.21782
15 5SYN 71T 3.4632
16 2OJW ADP 3.47222
17 5TDF 7A3 3.47222
18 3IQE F42 3.88693
19 4J5R A1R 4.10959
20 1SG4 CO8 4.23077
21 5SYM 71Q 4.34783
22 4PIV NDP 4.39394
23 1ZPD DPX 4.51389
24 5AE2 FAD 4.86111
25 3RFV NAI 4.86891
26 3C8Z 5CA 5.55556
27 2BKA NDP 5.78512
28 2C29 DQH 5.90278
29 2C29 NAP 5.90278
30 4HXY NDP 5.90278
31 4OOP DUP 6.0241
32 4MAF ADX 6.25
33 4ZRN UPG 6.94444
34 2A92 NAI 6.94444
35 6C8X BVR 7.07071
36 4YHQ G10 7.07071
37 3QFA FAD 7.63889
38 4J1Q NDP 7.63889
39 2GKS ADP 7.63889
40 5XWV NDP 7.98611
41 3AI7 TPP 7.98611
42 4NMC FAD 7.98611
43 4NMC 2OP 7.98611
44 4U7W NDP 7.98611
45 5BJX NAD 8.33333
46 1EQ2 NAP 8.33333
47 1EK6 NAI 9.02778
48 4NFE BEN 9.2827
49 2GN4 NDP 9.72222
50 2GN4 UD1 9.72222
51 4JYD SAH 9.72222
52 3ORF NAD 9.96016
53 1Z4O GL1 10.7639
54 2Q1W NAD 12.5
55 1KBJ FMN 13.8889
56 3CH6 311 15.035
57 3CH6 NAP 15.035
58 4K26 NDP 15.2174
59 4K26 SFF 15.2174
60 1T57 FMN 17.4757
61 2DKN NAI 20.7843
62 1XSE NDP 21.6949
63 3HB5 NAP 26.7361
64 3HB5 E2B 26.7361
65 4Q9N NAI 28.1879
66 4J7U YTZ 29.8611
67 4J7U NAP 29.8611
68 3RJ5 NAD 31.4961
69 2BD0 NAP 31.9672
70 1OAA OAA 32.0463
71 2GDZ NAD 35.9551
72 1W8D NAP 37.7483
73 4FC7 NAP 38.6282
74 4FC7 COA 38.6282
75 1W6U HXC 39.0728
76 1W6U NAP 39.0728
77 3ZV6 4HB 39.8577
78 5OVL NAP 40.625
79 1U7T TDT 42.1456
80 1U7T NAD 42.1456
81 1E3W NAD 42.1456
82 1E6W NAD 42.6923
83 5Z2L NDP 42.8571
84 1NFQ NAI 43.4615
85 2Q2V NAD 43.5294
86 1HDC CBO 43.7008
87 1G0N PHH 44.1696
88 1G0N NDP 44.1696
89 1X1T NAD 44.2308
90 3ICC NAP 44.3137
91 3VZS NAP 44.358
92 3QWI CUE 44.4444
93 3QWI NAP 44.4444
94 5OJI ISN 45
95 5OJI NAP 45
96 1AE1 NAP 45.0549
97 5O42 BGC 45.2555
98 5O42 9JW 45.2555
99 5O42 NAD 45.2555
100 5B4T NAD 45.3846
101 5B4T 3HR 45.3846
102 2ZAT NAP 45.3846
103 6CI9 NAP 45.9459
104 6CI9 F3V 45.9459
105 3AFN NAP 46.124
106 3NUG NAD 46.5587
107 2AE2 PTO 46.9231
108 2AE2 NAP 46.9231
109 4URF NAD 47.1774
110 3AY6 NAI 47.2119
111 3AY6 BGC 47.2119
112 1ZK4 NAP 47.4104
113 1ZK4 AC0 47.4104
114 1H5Q NAP 47.5472
115 2CFC NAD 47.6
116 2WSB NAD 47.6378
117 1XKQ NDP 47.8571
118 2B4Q NAP 48.1884
119 1PR9 NAP 48.3607
120 4QED NAP 48.7903
121 4NBT NAD 49.1667
122 1GEE NAD 49.4253
Pocket No.: 2; Query (leader) PDB : 5JDI; Ligand: NAP; Similar sites found with APoc: 670
This union binding pocket(no: 2) in the query (biounit: 5jdi.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 2WPB ZZI 1.04167
3 4BWL MN9 1.04167
4 5TWB FAD 1.04167
5 3GU3 SAH 1.05634
6 1SL6 GAL NDG FUC 1.08696
7 4XUC SAM 1.37615
8 4XUC 43G 1.37615
9 2IXB A2G 1.38889
10 2IXB NAD 1.38889
11 1ZGA SAH 1.38889
12 5E8J SAH 1.38889
13 5E9W SAH 1.38889
14 1NYT NAP 1.47601
15 5D4V SAH 1.49254
16 6A0S NDP 1.73611
17 6A0S HSE 1.73611
18 5AYV NAP 1.73611
19 5OC1 FAD 1.73611
20 3HAD NAD 1.73611
21 2W8Q SIN 1.73611
22 4DSG UDP 1.73611
23 4DSG FAD 1.73611
24 1YJQ NAP 1.73611
25 2G5C NAD 1.77936
26 1HYH NAD 2.08333
27 3B1F NAD 2.08333
28 1FUR MLT 2.08333
29 3E1T FAD 2.08333
30 2YVJ NAI 2.08333
31 3I6I NDP 2.08333
32 2O4C NAD 2.08333
33 3WQQ NDP 2.08333
34 3WQQ IB3 2.08333
35 2CDU ADP 2.08333
36 1KYZ SAH 2.08333
37 3CMC NAD 2.08333
38 4KP7 NAP 2.08333
39 2CDU FAD 2.08333
40 1VKO NAD 2.08333
41 4KP7 1UQ 2.08333
42 3NYC FAD 2.08333
43 3NYC IAR 2.08333
44 5JE8 NAD 2.08333
45 2YVF FAD 2.08333
46 2YVF NAD 2.08333
47 3WLE NAD 2.08333
48 5YU3 NAD 2.08333
49 5YU3 PRO 2.08333
50 3K7M FAD 2.08333
51 5I39 FAD 2.20588
52 3HVJ 705 2.26244
53 3VKX T3 2.29885
54 2YY7 NAD 2.43056
55 4ZVV GN0 2.43056
56 4ZVV NAD 2.43056
57 1WVG APR 2.43056
58 1PJS NAD 2.43056
59 1V6A TRE 2.43056
60 9LDB NAD 2.43056
61 9LDT NAD 2.43056
62 6CEP NAD 2.43056
63 6CEP OXM 2.43056
64 1E3I CXF 2.43056
65 1U1I NAD 2.43056
66 2Q7V FAD 2.43056
67 2ZJ1 ARJ 2.43056
68 2ZJ1 NAD 2.43056
69 4RF7 ARG 2.43056
70 1GPE FAD 2.43056
71 5EZ7 FAD 2.43056
72 1O6Z NAD 2.43056
73 3RNM FAD 2.43056
74 3B1J NAD 2.43056
75 4OOE FOM 2.43056
76 6F97 FAD 2.43056
77 5CAE COA 2.43056
78 4OOE NDP 2.43056
79 3OZ2 FAD 2.43056
80 1PN0 IPH 2.43056
81 5CAE SIN 2.43056
82 1PN0 FAD 2.43056
83 4DPL NAP 2.43056
84 3B20 NAD 2.43056
85 1HDG NAD 2.43056
86 1GQ2 NAP 2.43056
87 1PS9 FAD 2.43056
88 2VVL FAD 2.43056
89 4AVV GHE 2.45098
90 4AVV CD 2.45098
91 2F1K NAP 2.50896
92 2XVM SAH 2.51256
93 5Z21 NAI 2.51397
94 4D79 ATP 2.53623
95 3CBG SAH 2.58621
96 1RL4 BL5 2.65957
97 2EV9 SKM 2.6616
98 2EV9 NAP 2.6616
99 4GLL NAD 2.77778
100 1KEW NAD 2.77778
101 1KEW TYD 2.77778
102 1F8G NAD 2.77778
103 1UWK URO 2.77778
104 1UWK NAD 2.77778
105 4OPC FDA 2.77778
106 4OPC PGT 2.77778
107 2DFV NAD 2.77778
108 3L9W AMP 2.77778
109 5H81 NAP 2.77778
110 1X87 NAD 2.77778
111 1LLU NAD 2.77778
112 1H2B NAJ 2.77778
113 3L9W GSH 2.77778
114 1UP7 NAD 2.77778
115 1OMO NAD 2.77778
116 4TQG NDP 2.78638
117 4C2W ANP 2.86738
118 2DC1 NAD 2.9661
119 5X68 FAD 3.06905
120 5N5D SAM 3.09735
121 3C1O NAP 3.11526
122 3A4V NAD 3.125
123 3A4V PYR 3.125
124 2VHW NAI 3.125
125 4LHD GLY 3.125
126 1NVM NAD 3.125
127 2C7G FAD 3.125
128 1H9A NAP 3.125
129 2C7G ODP 3.125
130 1MV8 NAD 3.125
131 2IF8 ADP 3.125
132 1BXG NAD 3.125
133 5EOW FAD 3.125
134 4DFU QUE 3.125
135 1J5P NAD 3.16206
136 1I2B USQ 3.21782
137 1I2B UPG 3.21782
138 1I2B NAD 3.21782
139 4NYT PC 3.22581
140 2VT3 ATP 3.25581
141 1SW1 PBE 3.27273
142 4CNK FAD 3.32481
143 5BUK FAD 3.47222
144 5BVA FAD 3.47222
145 1E1M FAD 3.47222
146 1E1M NAP 3.47222
147 1PL6 NAD 3.47222
148 1PL6 572 3.47222
149 2P41 SAH 3.47222
150 1REO FAD 3.47222
151 1CER NAD 3.47222
152 1RSG FAD 3.47222
153 1YY5 FAD 3.47222
154 5FJN BE2 3.47222
155 5FJN FAD 3.47222
156 3H5N ATP 3.47222
157 2E5V FAD 3.47222
158 3E3U NVC 3.5533
159 3EVG SAH 3.63636
160 1R6D NAD 3.81944
161 1R6D DAU 3.81944
162 1BXK NAD 3.81944
163 5YEC ATP 3.81944
164 5NUF NAD 3.81944
165 5NUE NAD 3.81944
166 1LTH NAD 3.81944
167 4AP3 FAD 3.81944
168 4AP3 NAP 3.81944
169 6G7N DGL 3.81944
170 4RQU NAD 3.81944
171 5X9D 80F 3.81944
172 1V59 NAD 3.81944
173 1GR0 NAD 3.81944
174 1V59 FAD 3.81944
175 5J5Z FAD 3.81944
176 5BRT FAD 3.81944
177 5BRT CH9 3.81944
178 4MIG G3F 3.81944
179 5TS5 FAD 3.81944
180 2HQM FAD 3.81944
181 5KZD RCJ 3.81944
182 5JCM NAD 3.81944
183 5JCM FAD 3.81944
184 1GZ4 ATP 3.81944
185 5JCM ISD 3.81944
186 1TDF NAP 3.81944
187 5LD5 NAD 3.81944
188 2PT9 2MH 3.81944
189 4ZCC NAI 3.81944
190 4ZCC FAD 3.81944
191 3UCL NAP 3.81944
192 5OUH L0B 3.90244
193 1E6E FAD 3.90625
194 6GAS FAD 3.92749
195 1R18 SAH 3.96476
196 1P77 ATR 4.04412
197 5ZEC NAP 4.16667
198 2FR1 NDP 4.16667
199 1N7G NDP 4.16667
200 5MSO NAP 4.16667
201 1N7G GDR 4.16667
202 3VPH NAD 4.16667
203 3VPH OXM 4.16667
204 5KKA 6V0 4.16667
205 6BII NAP 4.16667
206 3KB6 NAD 4.16667
207 5Z20 NAI 4.16667
208 2B5W NAP 4.16667
209 3SQP FAD 4.16667
210 3FPZ AHZ 4.16667
211 1GET NAP 4.16667
212 1SC6 NAD 4.16667
213 1TE2 PGA 4.16667
214 5A04 BGC 4.16667
215 5A04 NDP 4.16667
216 3QVP FAD 4.16667
217 1GET FAD 4.16667
218 2A8X FAD 4.16667
219 4M52 FAD 4.16667
220 2FZW NAD 4.16667
221 2FWP ICR 4.37158
222 4PIV NDP 4.39394
223 2C5A NAD 4.51389
224 2C5A GDC 4.51389
225 5A1T NAI 4.51389
226 3ABI NAD 4.51389
227 5A1T OXM 4.51389
228 2GZ3 NAP 4.51389
229 5ZI2 NAD 4.51389
230 4L8V NAP 4.51389
231 5ZI2 ADP 4.51389
232 3TTM PUT 4.51389
233 6AIN FAD 4.51389
234 1LDM NAD 4.51389
235 1SAY PYR 4.51389
236 4TXI FAD 4.51389
237 3NKS FAD 4.51389
238 2BRY FAD 4.51389
239 4RSL FAD 4.51389
240 1MO9 KPC 4.51389
241 1MO9 FAD 4.51389
242 3X01 AMP 4.51389
243 1WDK NAD 4.51389
244 5X20 NAD 4.51389
245 3O7W SAM 4.51389
246 2GMH FAD 4.51389
247 1KOL NAD 4.51389
248 4JLS 3ZE 4.60526
249 1JNR FAD 4.66667
250 4PVD NDP 4.86111
251 3LZW NAP 4.86111
252 3LZW FAD 4.86111
253 3V1Y NAD 4.86111
254 3NJ4 NAD 4.86111
255 3NJ4 AFX 4.86111
256 1HKU NAD 4.86111
257 1J0X NAD 4.86111
258 2JB2 PHE 4.86111
259 2JB2 FAD 4.86111
260 1MUU NAD 4.86111
261 1QO8 FAD 4.86111
262 3TTN SPD 4.86111
263 1ZK7 FAD 4.86111
264 2NU8 COA 4.86111
265 3X0V FAD 4.86111
266 3RFV NAI 4.86891
267 3RFV 15L 4.86891
268 1H82 GZZ 4.87288
269 1H82 FAD 4.87288
270 1WMA NDP 5.07246
271 1WMA AB3 5.07246
272 3QX9 ATP 5.07246
273 5T85 44G 5.11628
274 5K4W THR 5.20833
275 5K4W NAI 5.20833
276 1GV0 NAD 5.20833
277 5AOV NAP 5.20833
278 2B4R NAD 5.20833
279 5JCA FAD 5.20833
280 5JCA NDP 5.20833
281 2B4R AES 5.20833
282 3LAD FAD 5.20833
283 1YQZ FAD 5.20833
284 4BG4 ARG 5.20833
285 5IN4 6CK 5.21978
286 5IN4 GDP 5.21978
287 5IN4 NAP 5.21978
288 2YG3 FAD 5.29801
289 5L95 AMP 5.37634
290 3WV8 ATP 5.50459
291 1UDB UFG 5.55556
292 1UDB NAD 5.55556
293 3KO8 NAD 5.55556
294 5JAQ NAI 5.55556
295 1GUZ NAD 5.55556
296 5KOX RFP 5.55556
297 5KOX FAD 5.55556
298 1DKU AP2 5.55556
299 5M90 JIF 5.55556
300 2QA1 FAD 5.55556
301 5WGR FAD 5.55556
302 1BW9 NAD 5.55556
303 2IVD FAD 5.55556
304 2I3G NAP 5.55556
305 3G5S FAD 5.55556
306 1X7D ORN 5.55556
307 2IID PHE 5.55556
308 2IID FAD 5.55556
309 5U8U FAD 5.55556
310 1X7D NAD 5.55556
311 1RYI GOA 5.55556
312 4W6Z 8ID 5.55556
313 6D6Y SAH 5.55556
314 1C1X NAD 5.55556
315 1RYI FAD 5.55556
316 1L7E NAI 5.55556
317 1RM4 NDP 5.63798
318 4CJX NAP 5.64263
319 4KOA NDP 5.70571
320 1LSS NAD 5.71429
321 2BKA NDP 5.78512
322 4XQC 13D 5.89474
323 4XQC NAD 5.89474
324 4HXY NDP 5.90278
325 2C29 NAP 5.90278
326 2C29 DQH 5.90278
327 1RKX NAD 5.90278
328 2CVQ NDP 5.90278
329 1YKJ FAD 5.90278
330 1YKJ PHB 5.90278
331 3H9E NAD 5.90278
332 1RM0 D6P 5.90278
333 2RGJ FAD 5.90278
334 1RM0 NAI 5.90278
335 2QRK AMP 5.90278
336 1V8B NAD 5.90278
337 1WP4 NDP 5.90278
338 1I7Q PYR 5.90278
339 2XVE FAD 5.90278
340 3G2O SAM 6.02007
341 3FSY SCA 6.0241
342 2JHF NAD 6.14973
343 2WA2 SAM 6.15942
344 1SB8 UD2 6.25
345 1SB8 NAD 6.25
346 3LU1 NAD 6.25
347 5MLR GRQ 6.25
348 5MLR NAP 6.25
349 1PZG A3D 6.25
350 1X14 NAD 6.25
351 2DKH FAD 6.25
352 5HSA FAS 6.25
353 3O9Z AKG 6.25
354 3OND ADN 6.25
355 3OND NAD 6.25
356 3O9Z NAD 6.25
357 5G3U FDA 6.25
358 1Q0H FOM 6.25
359 1Q0H NDP 6.25
360 5G3U ITW 6.25
361 2DKH 3HB 6.25
362 3OJO NAD 6.25
363 4IV9 FAD 6.25
364 4D04 NAP 6.25
365 4D04 FAD 6.25
366 5N0J FAD 6.25
367 1D4D FAD 6.25
368 1ZQ9 SAM 6.31579
369 3JWH SAH 6.45161
370 1OC2 NAD 6.59722
371 1OC2 TDX 6.59722
372 3AB1 FAD 6.59722
373 1GTE FAD 6.59722
374 1JQ3 AAT 6.59722
375 1EZ4 NAD 6.59722
376 4RDH AMP 6.59722
377 4KRG SAH 6.59722
378 1DJN ADP 6.59722
379 2AJH MET 6.63265
380 5T9F TYR 6.64207
381 5T9F NAP 6.64207
382 5T9E NAP 6.64207
383 1KYQ NAD 6.93431
384 4ZRN NAD 6.94444
385 4ZRN UPG 6.94444
386 1RPN NDP 6.94444
387 1T26 GBD 6.94444
388 1T26 NAI 6.94444
389 2A92 NAI 6.94444
390 5MIT FAD 6.94444
391 5MIT NAP 6.94444
392 5M67 3D1 6.94444
393 5M67 NAD 6.94444
394 5M67 ADE 6.94444
395 3TWO NDP 6.94444
396 5ERG SAM 6.94444
397 2ZXI FAD 6.94444
398 1U3U BNF 6.94444
399 1U3U NAD 6.94444
400 2DT5 NAD 7.109
401 2DBZ NAP 7.18563
402 1UXG NAD 7.29167
403 1UXG FUM 7.29167
404 1LDN NAD 7.29167
405 5XNC MTA 7.29167
406 5YB7 FAD 7.29167
407 5YB7 ORN 7.29167
408 5KVS NAP 7.29167
409 4JNA FAD 7.29167
410 1KJ8 GAR 7.29167
411 3S5W FAD 7.29167
412 4MOP 2H5 7.29167
413 4J4H 1J1 7.33591
414 4J4H NAI 7.33591
415 4JK3 NAD 7.33591
416 1TZD ADP 7.63636
417 4J1Q NDP 7.63889
418 4EUE NAI 7.63889
419 5UR0 NAD 7.63889
420 1EBF NAD 7.63889
421 4P83 U5P 7.69231
422 4NEC SAH 7.95455
423 5XWV NDP 7.98611
424 4U7W NDP 7.98611
425 5XWV 8H6 7.98611
426 1D7O NAD 7.98611
427 1D7O TCL 7.98611
428 5DF1 NAP 7.98611
429 5DF1 58X 7.98611
430 5MZI FAD 7.98611
431 5MZI FYK 7.98611
432 5Y77 FAD 7.98611
433 3BAZ NAP 7.98611
434 5KMS NAD 7.98611
435 3GCZ SAM 8.15603
436 2D2I NAP 8.1579
437 3KLJ FAD 8.31169
438 5BJX NAD 8.33333
439 5BJX UDP 8.33333
440 1Z45 NAD 8.33333
441 1GY8 NAD 8.33333
442 1EQ2 NAP 8.33333
443 1U8X NAD 8.33333
444 4NTC FAD 8.33333
445 1CF2 NAP 8.33333
446 1SOW NAD 8.53659
447 1DCP HBI 8.65385
448 6BWL NAD 8.68056
449 1V35 NAI 8.68056
450 1RJW ETF 8.68056
451 2PV7 NAD 8.68056
452 1RP0 AHZ 8.68056
453 2Q0L NAP 8.68056
454 1D1T NAD 8.68056
455 4BJZ P3A 8.68056
456 4BJZ FAD 8.68056
457 1EK6 UPG 9.02778
458 1EK6 NAI 9.02778
459 2UYQ SAM 9.02778
460 3OA2 NAD 9.02778
461 4CJN QNZ 9.02778
462 5JY6 NAD 9.02778
463 6DNT NAD 9.375
464 5MDH NAD 9.375
465 4GKV NAD 9.375
466 4MDH NAD 9.375
467 1E5Q NDP 9.375
468 5TOW ADN 9.375
469 5TOW NAI 9.375
470 3H8V ATP 9.375
471 1VM6 NAD 9.64912
472 2GN4 UD1 9.72222
473 2GN4 NDP 9.72222
474 5N6C NAD 9.72222
475 6GAR FAD 9.72222
476 3CIF NAD 9.72222
477 3CIF G3H 9.72222
478 2GCG NDP 9.72222
479 3ORF NAD 9.96016
480 1ORR NAD 10.0694
481 1TI7 NAP 10.0694
482 2VUT NAD 10.0694
483 5ZZ6 NAD 10.0962
484 5ZZ6 ADP 10.0962
485 5X2N ALA 10.1382
486 1A5Z NAD 10.3448
487 3AD8 NAD 10.3448
488 5J32 IPM 10.4167
489 3EJ0 11X 10.7143
490 6EL3 NAP 10.7639
491 4YSX FAD 10.8974
492 2Q1S NAI 11.1111
493 3GFB NAD 11.1111
494 1FP1 SAH 11.1111
495 5UAV TFB 11.1111
496 5UAV NDP 11.1111
497 2R4J 13P 11.1111
498 2R4J FAD 11.1111
499 4G5H UD7 11.4583
500 4G5H NAP 11.4583
501 5Y1G AKB 11.4583
502 5Y1G NAD 11.4583
503 2IZ1 ATR 11.4583
504 6AA8 NAD 11.4583
505 5TUF FAD 11.4583
506 5TUF TDC 11.4583
507 2PZM UDP 11.8056
508 2PZM NAD 11.8056
509 1Y1P NMN AMP PO4 11.8056
510 3A06 NDP 11.8056
511 3A06 FOM 11.8056
512 1GAD NAD 11.8056
513 2EXX NAP 12.1528
514 5ODQ FAD 12.1528
515 3AYI HCI 12.1528
516 3AYI FAD 12.1528
517 1C3V NDP 12.2449
518 2Q1W NAD 12.5
519 2GSD NAD 12.5
520 1HYE NAP 12.5
521 4JDR FAD 12.8472
522 4Z0H NAD 12.8472
523 4EIP FAD 12.8472
524 2QV7 ADP 12.8472
525 3LKZ SFG 12.8472
526 2X6T NAP 13.1944
527 2HK9 ATR 13.1944
528 5DN9 NAD 13.1944
529 2HK9 NAP 13.1944
530 2OOR NAD 13.2184
531 1E7S NAP 13.5417
532 2Y6Q FAD 13.5417
533 2Y6Q I7T 13.5417
534 2NAD NAD 13.5417
535 1DLJ UGA 13.5417
536 1DLJ NAI 13.5417
537 1DSS NAD 13.8889
538 2HMT NAI 13.8889
539 2VYN NAD 13.8889
540 4D3F NAP 13.8889
541 4XYB NDP 14.2361
542 1HDR NAD 14.3443
543 3O26 NDP 14.9306
544 3CH6 311 15.035
545 3CH6 NAP 15.035
546 4K26 NDP 15.2174
547 4K26 SFF 15.2174
548 5L4S NAP 15.2778
549 5L4S 6KX 15.2778
550 5L53 NAP 15.2778
551 5WP5 SAH 15.2778
552 1FMB HYB 15.3846
553 1MFI FHC 15.7895
554 3QV1 NAD 15.8537
555 4O1M NAD 17.0139
556 2F5Z FAD 17.1875
557 1GZ6 NAI 17.7083
558 2JJQ SAH 18.0556
559 5TCI MLI 18.4028
560 4J36 FAD 18.75
561 4J36 1HR 18.75
562 2VTD LKM 19.0972
563 5OOH NAP 19.4175
564 5OOH 9ZZ 19.4175
565 3GGO NAI 19.4444
566 3GGO ENO 19.4444
567 1FK8 NAD 19.4553
568 3KIF GDL 20.7547
569 2DKN NAI 20.7843
570 5I7S E9P 21.3768
571 5I7S NAD 21.3768
572 1XSE NDP 21.6949
573 5EES NAP 21.8623
574 2Q46 NAP 25.6917
575 3HB5 NAP 26.7361
576 1A27 NAP 26.7361
577 1N5D NDP 27.7778
578 4Q9N NAI 28.1879
579 1ZBQ NAD 29.5139
580 4J7U YTZ 29.8611
581 4J7U NAP 29.8611
582 3RJ5 NAD 31.4961
583 2BD0 NAP 31.9672
584 1OAA OAA 32.0463
585 2GDZ NAD 35.9551
586 1Z6Z NAP 36.5248
587 1W8D NAP 37.7483
588 1W73 NAP 37.7483
589 4FC7 NAP 38.6282
590 4FC7 COA 38.6282
591 4D42 W0I 39.0071
592 4D42 NAP 39.0071
593 1W6U NAP 39.0728
594 2PD4 NAD 39.6364
595 2PD4 DCN 39.6364
596 3ZV6 NAD 39.8577
597 3ZV6 4HB 39.8577
598 3V1U NAD 39.9306
599 3OIG NAD 40.6015
600 5OVL NAP 40.625
601 5EJ2 NAD 40.625
602 1NNU TCT 41.6667
603 1NNU NAD 41.6667
604 3WXB NDP 41.9355
605 1U7T TDT 42.1456
606 1U7T NAD 42.1456
607 1E3W NAD 42.1456
608 3RKR NAP 42.3664
609 6F9Q NAD 42.6471
610 1E6W NAD 42.6923
611 5Z2L NDP 42.8571
612 1QG6 NAD 42.9119
613 1QG6 TCL 42.9119
614 5CG1 NAD BBN 43.4028
615 4OHU NAD 43.4028
616 4OHU 2TK 43.4028
617 1NFQ NAI 43.4615
618 2Q2V NAD 43.5294
619 2WYV NAD 43.6782
620 1HDC CBO 43.7008
621 3OJF NDP 43.9689
622 3OJF IMJ 43.9689
623 1YXM ADE 44.0972
624 1UZN NAP 44.1296
625 1G0N NDP 44.1696
626 1G0N PHH 44.1696
627 1X1T NAD 44.2308
628 3ICC NAP 44.3137
629 3VZS CAA 44.358
630 3VZS NAP 44.358
631 3QWI NAP 44.4444
632 3QWI CUE 44.4444
633 5OJI NAP 45
634 5OJI ISN 45
635 1AE1 NAP 45.0549
636 5O42 9JW 45.2555
637 5O42 NAD 45.2555
638 5O42 BGC 45.2555
639 5B4T NAD 45.3846
640 5B4T 3HR 45.3846
641 2ZAT NAP 45.3846
642 4ZA2 NAD 45.4545
643 5OVK NDP 45.7031
644 2DTX BMA 45.8333
645 2RH4 EMO 45.8484
646 6CI9 NAP 45.9459
647 3AFN NAP 46.124
648 1ZEM NAD 46.1832
649 3NUG NAD 46.5587
650 1VL8 NAP 46.8165
651 3O03 NAP 46.875
652 2AE2 PTO 46.9231
653 2AE2 NAP 46.9231
654 4URF NAD 47.1774
655 3AY6 NAI 47.2119
656 3AY6 BGC 47.2119
657 1O5I NAD 47.3896
658 1ZK4 NAP 47.4104
659 1ZK4 AC0 47.4104
660 1H5Q NAP 47.5472
661 2CFC NAD 47.6
662 2WSB NAD 47.6378
663 1XKQ NDP 47.8571
664 2B4Q NAP 48.1884
665 1PR9 NAP 48.3607
666 3D3W NAP 48.3607
667 4QED NAP 48.7903
668 3OID NDP 48.8372
669 4NBT NAD 49.1667
670 1GEE NAD 49.4253
Pocket No.: 3; Query (leader) PDB : 5JDI; Ligand: NAP; Similar sites found with APoc: 56
This union binding pocket(no: 3) in the query (biounit: 5jdi.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 6AC9 ANP 1.73611
2 3VSV XYP 2.08333
3 1P0F NAP 2.08333
4 6F3N ADN 2.08333
5 6F3N NAD 2.08333
6 6F3M NAD 2.08333
7 3A4T SFG 2.18978
8 5EIN NAP 2.43056
9 5O9F NAD 2.43056
10 5O9F 9ON 2.43056
11 1KEV NDP 2.43056
12 3FPF MTA 2.43056
13 3FPF TNA 2.43056
14 1XCL SAH 2.55319
15 1XXA ARG 2.5641
16 3W9F I3P 2.69231
17 5ZYN FAD 2.76008
18 3FXU TSU 2.77778
19 1SDW IYT 2.77778
20 4BHL ARG 3.125
21 2GV8 FAD 3.125
22 3L4S 3PG 3.125
23 3L4S NAD 3.125
24 1R37 NAD 3.125
25 3WBF API 3.47222
26 5OCQ CIT 3.50877
27 1J49 NAD 3.6036
28 3UCL FAD 3.81944
29 3UCL CYH 3.81944
30 6AR9 3L4 4.04412
31 1Z0N BCD 4.16667
32 1B09 PC 4.36893
33 5DNK SAH 4.51389
34 2Y7P SAL 4.58716
35 1WLJ U5P 4.7619
36 3HQ9 OXL 5.20833
37 1LVL NAD 5.24017
38 2XVF FAD 5.55556
39 2GLX NDP 5.55556
40 4MP8 NAD 5.90278
41 4MP8 MLI 5.90278
42 2CDC XYP 5.90278
43 2CDC NAP 5.90278
44 2CDC XYS 5.90278
45 4WNP 3RJ 5.92335
46 1I36 NAP 6.81818
47 3KAL HGS 7.29167
48 5N2I NAP 7.63889
49 4YH2 GSH 7.65766
50 2XYQ SAH 8.19672
51 2BMB PMM 9.72222
52 1H6C NDP 9.72222
53 1H6C SIN 9.72222
54 1RYD NDP 9.72222
55 5NC1 NAG 12.2363
56 4URX HXY 33.5135
Pocket No.: 4; Query (leader) PDB : 5JDI; Ligand: 6JO; Similar sites found with APoc: 31
This union binding pocket(no: 4) in the query (biounit: 5jdi.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3U2U UDP 1.52091
2 1VKO NAD 2.08333
3 3T34 GDP 2.08333
4 1H0H MGD 2.43056
5 6CEP NAD 2.43056
6 2ORV 4TA 2.99145
7 4Q5M ROC 3.44828
8 2H21 SAM 3.47222
9 3ATY FMN 3.47222
10 1GZ4 ATP 3.81944
11 1GET FAD 4.16667
12 5ZEC NAP 4.16667
13 1F06 NDP 4.16667
14 4X60 SFG 4.28571
15 5K4W THR 5.20833
16 4ZRN NAD 6.94444
17 1LJ8 NAD 6.94444
18 1M2W NAD 6.94444
19 1LDN NAD 7.29167
20 3GDH MGP 7.88382
21 4M8X KGQ 8.08081
22 1EK6 UPG 9.02778
23 6GNF QPS 14.9306
24 5O4J SAH 14.9635
25 5K2M ADP 22.6415
26 3ZV6 NAD 39.8577
27 3VZS CAA 44.358
28 4ZA2 NAD 45.4545
29 2DTX BMA 45.8333
30 2RH4 EMO 45.8484
31 3D3W NAP 48.3607
Pocket No.: 5; Query (leader) PDB : 5JDI; Ligand: NAP; Similar sites found with APoc: 31
This union binding pocket(no: 5) in the query (biounit: 5jdi.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5ULP KB1 1.49254
2 3KO0 TFP 1.9802
3 6FLZ MMA 2.08333
4 4KFU ACP 2.35849
5 3MB5 SAM 2.7451
6 6FDF SAH 2.77778
7 5LQ8 GB 2.83688
8 2JHP SAH 3.125
9 5YAK FMN 3.47222
10 4Z4P SAH 3.61446
11 6APL C5P 3.74332
12 1F5V FMN 3.75
13 4UP3 NDP 3.81944
14 3DUW SAH 4.03587
15 5CUQ NSC 4.11985
16 5GVR LMR 4.70085
17 1EJ0 SAM 5
18 5JJR SAH 5.20833
19 1LUA NAP 5.57491
20 5V6F MAN BMA MAN 5.7971
21 2PUL ACP 5.90278
22 4YMH SAH 5.90278
23 4WOE 3S5 6.25
24 1O0S NAI 6.59722
25 1L7N AF3 6.63507
26 2FHE GSH 7.87037
27 5YRM BGC GLC 11.2676
28 1NM5 NAD 11.33
29 4M1U A2G MBG 11.4286
30 3R75 PYR 12.8472
31 5TC4 NAD 28.4722
Pocket No.: 6; Query (leader) PDB : 5JDI; Ligand: 6JO; Similar sites found with APoc: 21
This union binding pocket(no: 6) in the query (biounit: 5jdi.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3PJU C2E 2.00803
2 2BJK NAD 2.08333
3 6GK6 MYR 2.08333
4 6BKA FMN 2.43056
5 4K38 SAM 2.77778
6 5EYK 5U5 2.89855
7 3A4V NAD 3.125
8 3A4V PYR 3.125
9 2FAV APR 3.33333
10 1V3S ATP 3.44828
11 1BGQ RDC 3.55556
12 2FR1 NDP 4.16667
13 3FC4 EDO 4.16667
14 1W4R TTP 4.61538
15 1X8J A3P 4.8433
16 5XET ME8 4.91493
17 2ZRU FMN 5.55556
18 4IZC 1GZ 5.81818
19 5OYH T99 8.29016
20 1KBI FMN 13.8889
21 5OVK NDP 45.7031
Pocket No.: 7; Query (leader) PDB : 5JDI; Ligand: NAP; Similar sites found with APoc: 12
This union binding pocket(no: 7) in the query (biounit: 5jdi.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2VVM FAD 2.43056
2 5MBX SP5 2.43056
3 5MBX FAD 2.43056
4 3GGF GVD 3.47222
5 1A99 PUT 3.81944
6 4CS9 AMP 4.2328
7 1GPJ CIT 5.90278
8 1Z6K OAA 7.29167
9 4EMI NAD 9.72222
10 5O4J SAH 14.9635
11 5O4J 9KH 14.9635
12 3KIH GDL 23.7113
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