Receptor
PDB id Resolution Class Description Source Keywords
5JCJ 1.76 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NMT-H037 ( 7) 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
6JM D:302;
B:302;
A:303;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
286.236 C15 H10 O6 c1cc(...
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(...
ACT C:302;
A:302;
 Invalid;
Invalid;
 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
5JCJ 1.76 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NMT-H037 ( 7) 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 280 families.
1 5JCJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5JCJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 5JCJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6JM; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 6JM 1 1
2 6JO 0.660714 0.966667
3 FSE 0.625 1
4 QUE 0.516129 0.967742
5 MYU 0.46875 0.967742
6 FL8 0.411765 0.777778
Ligand no: 2; Ligand: NAP; Similar ligands found: 127
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 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JCJ; Ligand: NAP; Similar sites found: 383
This union binding pocket(no: 1) in the query (biounit: 5jcj.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XUC SAM 0.002651 0.4119 1.37615
2 4XUC 43G 0.002651 0.4119 1.37615
3 4DSG FAD 0.01555 0.40174 1.73611
4 4DSG UDP 0.01555 0.40174 1.73611
5 3HAD NAD 0.01057 0.40158 1.73611
6 2G5C NAD 0.001159 0.42049 1.77936
7 1HYH NAD 0.0003514 0.44184 2.08333
8 5JE8 NAD 0.001063 0.42958 2.08333
9 3WQQ NDP 0.001604 0.4284 2.08333
10 3WQQ IB3 0.001604 0.4284 2.08333
11 3I6I NDP 0.001423 0.42721 2.08333
12 2O4C NAD 0.0009042 0.42606 2.08333
13 3E1T FAD 0.002167 0.42516 2.08333
14 3CMC NAD 0.006959 0.41974 2.08333
15 2CDU FAD 0.002316 0.41657 2.08333
16 4KP7 NAP 0.004955 0.41424 2.08333
17 4KP7 1UQ 0.004204 0.41355 2.08333
18 3NYC IAR 0.00837 0.40733 2.08333
19 3NYC FAD 0.00837 0.40733 2.08333
20 3B1F NAD 0.009236 0.40317 2.08333
21 3WLE NAD 0.005929 0.40051 2.08333
22 5I39 FAD 0.006218 0.40182 2.20588
23 3HVJ 705 0.003774 0.40934 2.26244
24 2YY7 NAD 0.000002087 0.52743 2.43056
25 4ZVV NAD 0.0001303 0.48818 2.43056
26 4ZVV GN0 0.0001303 0.48818 2.43056
27 1U1I NAD 0.000685 0.43481 2.43056
28 2ZJ1 ARJ 0.003843 0.42127 2.43056
29 2Q7V FAD 0.002435 0.42113 2.43056
30 2ZJ1 NAD 0.004213 0.41962 2.43056
31 1GPE FAD 0.004116 0.41576 2.43056
32 5EZ7 FAD 0.003436 0.4131 2.43056
33 1O6Z NAD 0.0008309 0.41084 2.43056
34 3RNM FAD 0.00554 0.40871 2.43056
35 3OZ2 FAD 0.00477 0.40844 2.43056
36 4OOE FOM 0.01773 0.40685 2.43056
37 4OOE NDP 0.01773 0.40685 2.43056
38 1PN0 FAD 0.007566 0.40672 2.43056
39 1PN0 IPH 0.007923 0.40672 2.43056
40 5CAE SIN 0.003695 0.40506 2.43056
41 4DPL NAP 0.00325 0.40335 2.43056
42 1PS9 FAD 0.007506 0.40153 2.43056
43 1GQ2 NAP 0.003368 0.40138 2.43056
44 2VVL FAD 0.007412 0.40079 2.43056
45 2VVM FAD 0.007744 0.40002 2.43056
46 2F1K NAP 0.00037 0.43108 2.50896
47 2EV9 NAP 0.004076 0.40217 2.6616
48 2EV9 SKM 0.004076 0.40217 2.6616
49 4GLL NAD 0.000000153 0.5731 2.77778
50 1KEW TYD 0.00000979 0.52685 2.77778
51 1KEW NAD 0.00001084 0.52616 2.77778
52 1UWK NAD 0.001259 0.43665 2.77778
53 1UWK URO 0.001259 0.43665 2.77778
54 4OPC PGT 0.008211 0.43278 2.77778
55 4OPC FDA 0.007028 0.43278 2.77778
56 3L9W AMP 0.0006712 0.43104 2.77778
57 2DFV NAD 0.0006083 0.42641 2.77778
58 1LLU NAD 0.002658 0.41185 2.77778
59 3L9W GSH 0.002312 0.40761 2.77778
60 1UP7 NAD 0.002046 0.40028 2.77778
61 4TQG NDP 0.00000005521 0.58358 2.78638
62 2DC1 NAD 0.0006649 0.4251 2.9661
63 3A4V PYR 0.0000008886 0.55076 3.125
64 3A4V NAD 0.0000008886 0.55076 3.125
65 2VHW NAI 0.0007263 0.43636 3.125
66 1NVM NAD 0.001803 0.41453 3.125
67 1MV8 NAD 0.001415 0.40948 3.125
68 5EOW FAD 0.005192 0.40051 3.125
69 1I2B USQ 0.00635 0.44255 3.21782
70 1I2B NAD 0.00635 0.44255 3.21782
71 1I2B UPG 0.00635 0.44255 3.21782
72 4CNK FAD 0.001369 0.42787 3.32481
73 5BUK FAD 0.001669 0.43072 3.47222
74 1CER NAD 0.0009045 0.4292 3.47222
75 5BVA FAD 0.001828 0.42911 3.47222
76 1E1M FAD 0.003434 0.42489 3.47222
77 1E1M NAP 0.003434 0.42489 3.47222
78 1PL6 572 0.001312 0.42121 3.47222
79 1PL6 NAD 0.000228 0.41778 3.47222
80 1YY5 FAD 0.007378 0.40459 3.47222
81 1RSG FAD 0.006756 0.40431 3.47222
82 2E5V FAD 0.009957 0.40016 3.47222
83 1BXK NAD 0.0000008095 0.53918 3.81944
84 4AP3 NAP 0.004409 0.42482 3.81944
85 4AP3 FAD 0.004409 0.42482 3.81944
86 4RQU NAD 0.0009218 0.42282 3.81944
87 1R6D NAD 0.02358 0.41579 3.81944
88 1V59 FAD 0.004509 0.41416 3.81944
89 1R6D DAU 0.02506 0.41387 3.81944
90 2HQM FAD 0.005358 0.40836 3.81944
91 4MIG G3F 0.008437 0.4056 3.81944
92 3UCL NAP 0.02068 0.4007 3.81944
93 4ZCC FAD 0.01188 0.40027 3.81944
94 4ZCC NAI 0.0124 0.40027 3.81944
95 1E6E FAD 0.001848 0.42043 3.90625
96 2FR1 NDP 0.0000002212 0.56692 4.16667
97 1N7G NDP 0.000008703 0.54558 4.16667
98 5MSO NAP 0.0000005106 0.53675 4.16667
99 1N7G GDR 0.00001053 0.53093 4.16667
100 3VPH NAD 0.0001162 0.46337 4.16667
101 3VPH OXM 0.0002808 0.45126 4.16667
102 5KKA 6V0 0.0002843 0.44686 4.16667
103 3KB6 NAD 0.0007447 0.42304 4.16667
104 3SQP FAD 0.03736 0.41579 4.16667
105 1GET NAP 0.01146 0.4117 4.16667
106 1ZMD FAD 0.004739 0.41145 4.16667
107 1SC6 NAD 0.002649 0.40941 4.16667
108 5A04 BGC 0.01409 0.40421 4.16667
109 5A04 NDP 0.01172 0.40421 4.16667
110 1GET FAD 0.01749 0.40266 4.16667
111 2FZW NAD 0.008208 0.40182 4.16667
112 4M52 FAD 0.008432 0.40043 4.16667
113 4PIV NDP 0.00000009796 0.57849 4.39394
114 2C5A NAD 0.0000003705 0.58894 4.51389
115 2C5A GDC 0.0000003705 0.58894 4.51389
116 3ABI NAD 0.0002575 0.4455 4.51389
117 2GZ3 NAP 0.001533 0.43594 4.51389
118 4L8V NAP 0.000914 0.42445 4.51389
119 2BRY FAD 0.001513 0.42012 4.51389
120 4TXI FAD 0.001489 0.41908 4.51389
121 3NKS FAD 0.002201 0.41858 4.51389
122 4RSL FAD 0.002405 0.41593 4.51389
123 1MO9 FAD 0.01521 0.4113 4.51389
124 1WDK NAD 0.000723 0.41072 4.51389
125 1MO9 KPC 0.02329 0.4037 4.51389
126 1JNR FAD 0.01301 0.41216 4.66667
127 4PVD NDP 0.0000002017 0.55109 4.86111
128 1J0X NAD 0.0008323 0.44191 4.86111
129 3V1Y NAD 0.0003871 0.43059 4.86111
130 3NJ4 NAD 0.0114 0.42949 4.86111
131 3NJ4 AFX 0.01186 0.42869 4.86111
132 1MUU NAD 0.001309 0.4108 4.86111
133 2JB2 PHE 0.00472 0.40862 4.86111
134 2JB2 FAD 0.004451 0.40862 4.86111
135 3RFV NAI 0.002713 0.43296 4.86891
136 3RFV 15L 0.007153 0.41389 4.86891
137 1H82 GZZ 0.008205 0.41413 4.87288
138 1H82 FAD 0.006781 0.41413 4.87288
139 1WMA AB3 0.000002091 0.54662 5.07246
140 1WMA NDP 0.000002091 0.54662 5.07246
141 2B4R NAD 0.0007176 0.42992 5.20833
142 2B4R AES 0.001784 0.41333 5.20833
143 1YQZ FAD 0.008736 0.41164 5.20833
144 5JCA FAD 0.006237 0.40571 5.20833
145 5JCA NDP 0.01328 0.40529 5.20833
146 3LAD FAD 0.006784 0.40424 5.20833
147 5IN4 NAP 0.0001014 0.53595 5.21978
148 5IN4 6CK 0.00009951 0.53595 5.21978
149 5IN4 GDP 0.0001114 0.53291 5.21978
150 2YG3 FAD 0.003753 0.4126 5.29801
151 5L95 AMP 0.0006592 0.40097 5.37634
152 5JAQ NAI 0.0003019 0.45508 5.55556
153 1UDB NAD 0.004091 0.44887 5.55556
154 1UDB UFG 0.004091 0.44887 5.55556
155 1GUZ NAD 0.0002761 0.44276 5.55556
156 3KO8 NAD 0.002541 0.43966 5.55556
157 2I3G NAP 0.001685 0.41566 5.55556
158 2IVD FAD 0.002477 0.41542 5.55556
159 5WGR FAD 0.003243 0.41513 5.55556
160 3G5S FAD 0.003401 0.41112 5.55556
161 1X7D ORN 0.003837 0.40905 5.55556
162 1X7D NAD 0.002385 0.40709 5.55556
163 2IID FAD 0.009635 0.40705 5.55556
164 2IID PHE 0.009635 0.40705 5.55556
165 1C1X NAD 0.001646 0.40632 5.55556
166 5U8U FAD 0.01464 0.40536 5.55556
167 1LSS NAD 0.0008149 0.403 5.71429
168 2BKA NDP 0.01315 0.40547 5.78512
169 4XQC NAD 0.002282 0.42426 5.89474
170 4XQC 13D 0.002728 0.42208 5.89474
171 4HXY NDP 0.0000000628 0.58591 5.90278
172 2C29 NAP 0.0000002519 0.58364 5.90278
173 2C29 DQH 0.0000007723 0.56405 5.90278
174 1RKX NAD 0.0000003328 0.55807 5.90278
175 2CVQ NDP 0.0004787 0.43366 5.90278
176 1YKJ PHB 0.003437 0.43077 5.90278
177 1YKJ FAD 0.003437 0.43077 5.90278
178 2QRK AMP 0.003575 0.41136 5.90278
179 1WP4 NDP 0.001627 0.41008 5.90278
180 2RGJ FAD 0.003295 0.407 5.90278
181 1V8B NAD 0.004681 0.40455 5.90278
182 2JHF NAD 0.03747 0.40976 6.14973
183 3LU1 NAD 0.0000001483 0.56944 6.25
184 1PZG A3D 0.0002632 0.45497 6.25
185 1SB8 UD2 0.00586 0.4426 6.25
186 1SB8 NAD 0.008031 0.43321 6.25
187 3O9Z NAD 0.003306 0.41963 6.25
188 3OND ADN 0.005412 0.41267 6.25
189 3OND NAD 0.005412 0.41267 6.25
190 3O9Z AKG 0.00476 0.4123 6.25
191 5HSA FAS 0.004407 0.41081 6.25
192 5G3U FDA 0.003698 0.41077 6.25
193 4D04 FAD 0.01258 0.40692 6.25
194 4D04 NAP 0.01258 0.40692 6.25
195 3OJO NAD 0.0008728 0.40625 6.25
196 4IV9 FAD 0.005828 0.40496 6.25
197 1D4D FAD 0.008291 0.40164 6.25
198 1OC2 TDX 0.000004893 0.54476 6.59722
199 1OC2 NAD 0.000004893 0.54476 6.59722
200 3AB1 FAD 0.00109 0.43403 6.59722
201 1EZ4 NAD 0.0006172 0.4222 6.59722
202 1GTE FAD 0.008928 0.41192 6.59722
203 1JQ3 AAT 0.004249 0.4027 6.59722
204 5T9F TYR 0.001331 0.42721 6.64207
205 5T9F NAP 0.001604 0.42284 6.64207
206 4ZRN NAD 0.00000004122 0.59923 6.94444
207 4ZRN UPG 0.0000004628 0.57991 6.94444
208 1RPN NDP 0.000001584 0.54089 6.94444
209 2A92 NAI 0.0003469 0.44352 6.94444
210 5M67 NAD 0.005055 0.41472 6.94444
211 5M67 3D1 0.005147 0.4144 6.94444
212 5M67 ADE 0.005345 0.41373 6.94444
213 3TWO NDP 0.00377 0.40711 6.94444
214 1U3U NAD 0.008139 0.40105 6.94444
215 1U3U BNF 0.008139 0.40105 6.94444
216 2DT5 NAD 0.0003336 0.43963 7.109
217 2DBZ NAP 0.0009277 0.42272 7.18563
218 1LDN NAD 0.0002698 0.44626 7.29167
219 4JNA FAD 0.004055 0.41323 7.29167
220 4MOP 2H5 0.008552 0.40771 7.29167
221 3S5W FAD 0.003974 0.40132 7.29167
222 4J4H 1J1 0.003032 0.42206 7.33591
223 4J4H NAI 0.003032 0.42206 7.33591
224 4JK3 NAD 0.0008243 0.41841 7.33591
225 4J1Q NDP 0.0000001554 0.56155 7.63889
226 4EUE NAI 0.00002682 0.48646 7.63889
227 1EBF NAD 0.001239 0.40731 7.63889
228 3MJE NDP 0.00000002176 0.60133 7.98611
229 4U7W NDP 0.0000000211 0.5936 7.98611
230 5MZI FAD 0.003 0.43113 7.98611
231 5MZI FYK 0.003121 0.43113 7.98611
232 5KMS NAD 0.01136 0.40616 7.98611
233 3KLJ FAD 0.001121 0.42518 8.31169
234 1GY8 NAD 0.0000004237 0.55404 8.33333
235 1EQ2 NAP 0.0000007422 0.54268 8.33333
236 1Z45 NAD 0.001084 0.45265 8.33333
237 1U8X NAD 0.0008664 0.41708 8.33333
238 2PV7 NAD 0.0009884 0.41847 8.68056
239 1EK6 UPG 0.000002219 0.55903 9.02778
240 1EK6 NAI 0.000001984 0.55881 9.02778
241 3OA2 NAD 0.001791 0.41183 9.02778
242 5JY6 NAD 0.009881 0.40357 9.02778
243 5MDH NAD 0.0001365 0.45031 9.375
244 4GKV NAD 0.0005367 0.43894 9.375
245 4MDH NAD 0.0003331 0.43605 9.375
246 1E5Q NDP 0.0007131 0.42707 9.375
247 3H8V ATP 0.0005559 0.40125 9.375
248 3CIF NAD 0.000343 0.43917 9.72222
249 3CIF G3H 0.002368 0.41502 9.72222
250 3ORF NAD 0.0000008297 0.53878 9.96016
251 1ORR NAD 0.00000009235 0.58361 10.0694
252 3AD8 NAD 0.003772 0.40592 10.3448
253 4YSX FAD 0.006941 0.40193 10.8974
254 3GFB NAD 0.0006688 0.42464 11.1111
255 2Q1S NAI 0.01701 0.41524 11.1111
256 5UAV NDP 0.00285 0.41303 11.1111
257 5UAV TFB 0.00285 0.41303 11.1111
258 2R4J FAD 0.009006 0.40678 11.1111
259 2R4J 13P 0.009006 0.40678 11.1111
260 5TUF FAD 0.0142 0.40073 11.4583
261 5TUF TDC 0.01587 0.40073 11.4583
262 2PZM NAD 0.000008851 0.52139 11.8056
263 2PZM UDP 0.000008851 0.52139 11.8056
264 1Y1P NMN AMP PO4 0.000004183 0.49008 11.8056
265 3A06 FOM 0.0012 0.42779 11.8056
266 3A06 NDP 0.001071 0.42725 11.8056
267 2EXX NAP 0.0003715 0.44517 12.1528
268 5ODQ FAD 0.005551 0.40775 12.1528
269 3AYI HCI 0.00942 0.40672 12.1528
270 3AYI FAD 0.009036 0.40672 12.1528
271 2Q1W NAD 0.003638 0.43301 12.5
272 4JDR FAD 0.002117 0.42357 12.8472
273 4EIP FAD 0.00745 0.40615 12.8472
274 4EIP K2C 0.00745 0.40615 12.8472
275 2X6T NAP 0.0000003005 0.5577 13.1944
276 5DN9 NAD 0.0008391 0.43006 13.1944
277 2Y6Q I7T 0.002035 0.42911 13.5417
278 2Y6Q FAD 0.000833 0.42883 13.5417
279 2NAD NAD 0.002247 0.41591 13.5417
280 1E7S NAP 0.01422 0.40768 13.5417
281 2VYN NAD 0.002139 0.40889 13.8889
282 4D3F NAP 0.0009594 0.40009 13.8889
283 4XYB NDP 0.00351 0.40714 14.2361
284 3O26 NDP 0.00000006531 0.58307 14.9306
285 3CH6 311 0.00000002242 0.6482 15.035
286 3CH6 NAP 0.00000002242 0.6482 15.035
287 4K26 NDP 0.000000004507 0.62989 15.2174
288 4K26 SFF 0.00000001791 0.62299 15.2174
289 5L4S NAP 0.0000003482 0.56847 15.2778
290 5L4S 6KX 0.0000003482 0.56847 15.2778
291 5L53 NAP 0.0000002609 0.52576 15.2778
292 3QV1 NAD 0.0009592 0.41204 15.8537
293 4O1M NAD 0.000005823 0.50846 17.0139
294 2F5Z FAD 0.006205 0.40673 17.1875
295 1GZ6 NAI 0.00000009442 0.57911 17.7083
296 4J36 FAD 0.001361 0.4219 18.75
297 4J36 1HR 0.003033 0.41928 18.75
298 1HDO NAP 0.00001693 0.49742 19.4175
299 3GGO NAI 0.0007726 0.44109 19.4444
300 3GGO ENO 0.0007726 0.44109 19.4444
301 1FK8 NAD 0.0000000008887 0.63139 19.4553
302 2DKN NAI 0.0000000002356 0.6738 20.7843
303 1XSE NDP 0.0000000008436 0.67767 21.6949
304 2Q46 NAP 0.00000006839 0.58004 25.6917
305 3HB5 NAP 0.001004 0.47462 26.7361
306 1A27 NAP 0.01725 0.40172 26.7361
307 1N5D NDP 0.0000003474 0.55736 27.7778
308 4Q9N NAI 0.000001914 0.52887 28.1879
309 1ZBQ NAD 0.00000002192 0.6057 29.5139
310 4J7U NAP 0.0000005693 0.56792 29.8611
311 4J7U YTZ 0.0000005693 0.56792 29.8611
312 3RJ5 NAD 0.0000003009 0.57266 31.4961
313 2BD0 NAP 0.000000002538 0.64185 31.9672
314 1OAA OAA 0.002983 0.44884 32.0463
315 2GDZ NAD 0.0003508 0.47335 35.9551
316 1Z6Z NAP 0.0000004015 0.55289 36.5248
317 1W8D NAP 0.0000000009722 0.62276 37.7483
318 1W73 NAP 0.000000001613 0.61536 37.7483
319 4FC7 COA 0.00000005706 0.60802 38.6282
320 4FC7 NAP 0.00000005706 0.60802 38.6282
321 4D42 W0I 0.0000006438 0.57533 39.0071
322 4D42 NAP 0.0000006438 0.57533 39.0071
323 1W6U NAP 0.000000001518 0.61509 39.0728
324 2PD4 DCN 0.000005012 0.51965 39.6364
325 2PD4 NAD 0.000005342 0.51857 39.6364
326 3ZV6 4HB 0.004337 0.44068 39.8577
327 3ZV6 NAD 0.004123 0.44068 39.8577
328 3V1U NAD 0.001323 0.44287 39.9306
329 3OIG NAD 0.03846 0.40923 40.6015
330 1NNU TCT 0.00003928 0.52432 41.6667
331 1NNU NAD 0.00003784 0.52432 41.6667
332 3WXB NDP 0.00000006981 0.58415 41.9355
333 1U7T TDT 0.00000000437 0.65102 42.1456
334 1E3W NAD 0.000000005723 0.62352 42.1456
335 1U7T NAD 0.000000008832 0.60773 42.1456
336 1E6W NAD 0.000000003719 0.61842 42.6923
337 1QG6 TCL 0.000002891 0.54096 42.9119
338 1QG6 NAD 0.000002891 0.54096 42.9119
339 5CG1 NAD BBN 0.000003848 0.55422 43.4028
340 4OHU 2TK 0.000003999 0.5484 43.4028
341 4OHU NAD 0.000003999 0.5484 43.4028
342 1NFQ NAI 0.00000000152 0.65045 43.4615
343 2Q2V NAD 0.0001279 0.49649 43.5294
344 2WYV NAD 0.00000951 0.50031 43.6782
345 3OJF NDP 0.000001713 0.53789 43.9689
346 3OJF IMJ 0.000003151 0.53669 43.9689
347 1G0N PHH 0.00002493 0.53832 44.1696
348 1G0N NDP 0.00002406 0.53498 44.1696
349 1X1T NAD 0.0008682 0.49232 44.2308
350 5ITV NAI 0.0000000003589 0.67213 44.3137
351 3ICC NAP 0.00003912 0.51691 44.3137
352 3VZS NAP 0.00000002065 0.62901 44.358
353 3VZS CAA 0.00000008052 0.62819 44.358
354 3QWI CUE 0.0000000003215 0.69636 44.4444
355 3QWI NAP 0.0000000000984 0.69636 44.4444
356 1AE1 NAP 0.000000001273 0.65578 45.0549
357 2ZAT NAP 0.00000006575 0.58295 45.3846
358 4ZA2 NAD 0.000000007727 0.61609 45.4545
359 2DTX BMA 0.001167 0.46265 45.8333
360 2RH4 EMO 0.0008353 0.47535 45.8484
361 3AFN NAP 0.000000000471 0.67253 46.124
362 1ZEM NAD 0.000000002002 0.62472 46.1832
363 3NUG NAD 0.0000000006597 0.66197 46.5587
364 1VL8 NAP 0.00000000204 0.64783 46.8165
365 3O03 NAP 0.001896 0.43796 46.875
366 2AE2 NAP 0.000000001075 0.67347 46.9231
367 2AE2 PTO 0.000000001075 0.67347 46.9231
368 3AY6 NAI 0.000000005453 0.63965 47.2119
369 3AY6 BGC 0.000000022 0.63546 47.2119
370 1O5I NAD 0.000006572 0.46609 47.3896
371 1ZK4 NAP 0.002856 0.47169 47.4104
372 1ZK4 AC0 0.002856 0.47169 47.4104
373 1H5Q NAP 0.0000000001536 0.6863 47.5472
374 2CFC NAD 0.000000001242 0.64632 47.6
375 2WSB NAD 0.00000001167 0.63219 47.6378
376 1XKQ NDP 0.000000001876 0.64925 47.8571
377 2B4Q NAP 0.01105 0.40995 48.1884
378 3D3W NAP 0.000000003151 0.64051 48.3607
379 1PR9 NAP 0.0005684 0.46877 48.3607
380 4QED NAP 0.00000000977 0.61463 48.7903
381 3OID NDP 0.00000000004632 0.7116 48.8372
382 4NBT NAD 0.000000002794 0.63291 49.1667
383 1GEE NAD 0.000000004341 0.62811 49.4253
Pocket No.: 2; Query (leader) PDB : 5JCJ; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5jcj.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5JCJ; Ligand: 6JM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5jcj.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5JCJ; Ligand: 6JM; Similar sites found: 79
This union binding pocket(no: 4) in the query (biounit: 5jcj.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4GU5 FAD 0.03164 0.40698 1.38889
2 3RHJ NAP 0.04799 0.4068 1.73611
3 1JQD SAH 0.01808 0.42245 2.43056
4 2AOT SAH 0.01936 0.40248 2.43056
5 4GLL NAD 0.01939 0.42316 2.77778
6 4TQG NDP 0.008827 0.43776 2.78638
7 3A4V NAD 0.01253 0.43778 3.125
8 3A4V PYR 0.01253 0.43778 3.125
9 4A0M NAD 0.02134 0.41977 3.125
10 5I35 ANP 0.01587 0.40685 3.125
11 2FAV APR 0.03431 0.40252 3.33333
12 5SYN 71T 0.0136 0.41222 3.4632
13 2FR1 NDP 0.01097 0.43646 4.16667
14 1SG4 CO8 0.006302 0.44273 4.23077
15 5SYM 71Q 0.01132 0.41625 4.34783
16 4PIV NDP 0.01994 0.42136 4.39394
17 4UBT COA 0.03525 0.40448 4.86111
18 3SXF BK5 0.02718 0.41634 5.20833
19 4G6I RS3 0.03031 0.41269 5.20833
20 3C8Z 5CA 0.02709 0.40045 5.55556
21 4OOP DUP 0.01387 0.41878 6.0241
22 1YKF NAP 0.03342 0.40813 6.25
23 2XGT NSS 0.04037 0.40006 6.25
24 4ZRN UPG 0.04224 0.41891 6.94444
25 4ZRN NAD 0.03723 0.40995 6.94444
26 4YHQ G10 0.04332 0.40531 7.07071
27 5V2J 7WV 0.03546 0.40788 7.29167
28 5V2J UDP 0.03546 0.40788 7.29167
29 2GKS ADP 0.01631 0.41351 7.63889
30 3AI7 TPP 0.01545 0.42083 7.98611
31 3MJE NDP 0.03579 0.40652 7.98611
32 1GY8 NAD 0.02877 0.41279 8.33333
33 5C5H 4YB 0.03244 0.40513 8.38852
34 1EK6 UPG 0.03382 0.42856 9.02778
35 3ORF NAD 0.03207 0.40909 9.96016
36 1Z4O GL1 0.0154 0.40545 10.7639
37 2Q1W NAD 0.02494 0.41837 12.5
38 5BZ4 COA 0.01621 0.41196 12.5
39 3CH6 311 0.009323 0.46379 15.035
40 3CH6 NAP 0.009323 0.46379 15.035
41 4K26 SFF 0.00521 0.46164 15.2174
42 4K26 NDP 0.007864 0.44299 15.2174
43 2DKN NAI 0.02632 0.4125 20.7843
44 1XSE NDP 0.001695 0.48932 21.6949
45 2Q46 NAP 0.03083 0.40882 25.6917
46 4J7U YTZ 0.01861 0.43409 29.8611
47 4J7U NAP 0.01861 0.43409 29.8611
48 3RJ5 NAD 0.01694 0.43265 31.4961
49 2BD0 NAP 0.0338 0.41012 31.9672
50 4FC7 COA 0.01562 0.43831 38.6282
51 4FC7 NAP 0.01562 0.43831 38.6282
52 1U7T TDT 0.002469 0.48143 42.1456
53 1U7T NAD 0.006133 0.44477 42.1456
54 1E3W NAD 0.01646 0.42462 42.1456
55 1NFQ NAI 0.004349 0.45798 43.4615
56 2Q2V NAD 0.02186 0.42147 43.5294
57 1HDC CBO 0.003806 0.4442 43.7008
58 5ITV NAI 0.03601 0.40751 44.3137
59 3VZS CAA 0.01479 0.45421 44.358
60 3VZS NAP 0.008669 0.45421 44.358
61 3QWI CUE 0.02544 0.42569 44.4444
62 3QWI NAP 0.03247 0.41106 44.4444
63 1AE1 NAP 0.01445 0.43119 45.0549
64 2ZAT NAP 0.01745 0.42327 45.3846
65 3AFN NAP 0.0159 0.42895 46.124
66 3NUG NAD 0.005973 0.44936 46.5587
67 2AE2 NAP 0.002455 0.48052 46.9231
68 2AE2 PTO 0.002455 0.48052 46.9231
69 3AY6 BGC 0.002687 0.48682 47.2119
70 3AY6 NAI 0.001783 0.48481 47.2119
71 2CFC NAD 0.02823 0.41087 47.6
72 2WSB NAD 0.005586 0.46099 47.6378
73 1XKQ NDP 0.008446 0.44374 47.8571
74 2B4Q NAP 0.04063 0.40354 48.1884
75 1PR9 NAP 0.0283 0.41539 48.3607
76 3D3W NAP 0.04689 0.40343 48.3607
77 4QED NAP 0.02682 0.41326 48.7903
78 4NBT NAD 0.01633 0.42357 49.1667
79 1GEE NAD 0.002016 0.47312 49.4253
Pocket No.: 5; Query (leader) PDB : 5JCJ; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5jcj.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5JCJ; Ligand: 6JM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5jcj.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5JCJ; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5jcj.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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