Receptor
PDB id Resolution Class Description Source Keywords
5K6A 1.7 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE 1 (PTR1) IN COMPLEX W COMPOUND 1 TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXIDOREDUCTASE
Ref.: CHROMAN-4-ONE DERIVATIVES TARGETING PTERIDINE REDUC AND SHOWING ANTI-PARASITIC ACTIVITY. MOLECULES V. 22 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6QT D:302;
B:302;
A:302;
C:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 31 uM
256.253 C15 H12 O4 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 A:303;
C:303;
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
5K6A 1.7 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE 1 (PTR1) IN COMPLEX W COMPOUND 1 TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXIDOREDUCTASE
Ref.: CHROMAN-4-ONE DERIVATIVES TARGETING PTERIDINE REDUC AND SHOWING ANTI-PARASITIC ACTIVITY. MOLECULES V. 22 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5K6A ic50 = 31 uM 6QT C15 H12 O4 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 247 families.
1 5K6A ic50 = 31 uM 6QT C15 H12 O4 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 177 families.
1 5K6A ic50 = 31 uM 6QT C15 H12 O4 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6QT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 6QT 1 1
2 DDC 0.41791 0.961538
3 DFL 0.402985 0.923077
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 : 5K6A; Ligand: NAP; Similar sites found: 300
This union binding pocket(no: 1) in the query (biounit: 5k6a.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ULP KB1 0.006079 0.4032 None
2 2XVM SAH 0.01373 0.41251 1.00503
3 4BWL MN9 0.004397 0.45889 1.04167
4 3GU3 SAH 0.02585 0.40616 1.05634
5 1SL6 GAL NDG FUC 0.04692 0.411 1.08696
6 5E9W SAH 0.00864 0.42618 1.38889
7 5E8J SAH 0.0118 0.4157 1.38889
8 5D4V SAH 0.005819 0.40976 1.49254
9 2D7I UDP 0.01562 0.41343 1.73611
10 5AYV NAP 0.004762 0.41046 1.73611
11 2G5C NAD 0.001098 0.41857 1.77936
12 2YVJ NAI 0.001392 0.4475 2.08333
13 2CDU ADP 0.00221 0.44235 2.08333
14 5JE8 NAD 0.0008385 0.4352 2.08333
15 1HYH NAD 0.0003696 0.43171 2.08333
16 1KYZ SAH 0.003989 0.43051 2.08333
17 2O4C NAD 0.000816 0.41904 2.08333
18 5FYR INS 0.03401 0.40502 2.08333
19 4YCA NDP 0.004112 0.40461 2.08333
20 3A4T SFG 0.005444 0.411 2.18978
21 2YY7 NAD 0.000001605 0.51864 2.43056
22 1O6Z NAD 0.0004731 0.44874 2.43056
23 4N9Z V3L 0.006584 0.44052 2.43056
24 4RF7 ARG 0.01666 0.42428 2.43056
25 1U1I NAD 0.0004873 0.41471 2.43056
26 1GQ2 NAP 0.0026 0.40706 2.43056
27 4DPL NAP 0.002488 0.40519 2.43056
28 2F1K NAP 0.0003001 0.44965 2.50896
29 4D79 ATP 0.00516 0.42177 2.53623
30 1XXA ARG 0.02626 0.41376 2.5641
31 3W9F I3P 0.02265 0.43445 2.69231
32 2DFV NAD 0.0004811 0.43827 2.77778
33 5H81 NAP 0.001886 0.43062 2.77778
34 1X87 NAD 0.001864 0.42751 2.77778
35 1KEW TYD 0.000005548 0.42238 2.77778
36 1KEW NAD 0.000004961 0.42105 2.77778
37 1UP7 NAD 0.002033 0.41969 2.77778
38 3L9W AMP 0.0008191 0.41901 2.77778
39 1F8G NAD 0.004361 0.41511 2.77778
40 1OMO NAD 0.003133 0.41503 2.77778
41 3L9W GSH 0.002313 0.40901 2.77778
42 4FZV SAM 0.01123 0.4004 2.77778
43 4TQG NDP 0.00000003705 0.59248 2.78638
44 4C2W ANP 0.03284 0.4092 2.86738
45 2DC1 NAD 0.0006069 0.43434 2.9661
46 4NON GDP 0.01404 0.41966 3.07692
47 3C1O NAP 0.002258 0.42088 3.11526
48 4GLL NAD 0.00000007542 0.55972 3.125
49 3A4V NAD 0.0000007969 0.49871 3.125
50 3A4V PYR 0.0000007969 0.49871 3.125
51 1MV8 NAD 0.001303 0.4244 3.125
52 1BXG NAD 0.002344 0.41429 3.125
53 5MPT SAH 0.008865 0.41112 3.125
54 2IF8 ADP 0.02949 0.41105 3.125
55 5THY SAH 0.007254 0.40867 3.125
56 2VHW NAI 0.0005959 0.40502 3.125
57 4NYT PC 0.005273 0.40978 3.22581
58 2VT3 ATP 0.0007167 0.4795 3.25581
59 1SW1 PBE 0.0299 0.41191 3.27273
60 1PL6 NAD 0.00016 0.48061 3.47222
61 1CER NAD 0.0006656 0.43596 3.47222
62 4RQU NAD 0.0007207 0.42839 3.47222
63 2P41 SAH 0.006614 0.41688 3.47222
64 4TTB FMN 0.009095 0.41395 3.47222
65 1PL6 572 0.001167 0.40878 3.47222
66 3GGF GVD 0.02281 0.40526 3.47222
67 3EVG SAH 0.003888 0.42733 3.63636
68 1BXK NAD 0.0000004377 0.55146 3.81944
69 1V59 NAD 0.002865 0.44985 3.81944
70 5LD5 NAD 0.001328 0.43366 3.81944
71 5FA5 MTA 0.01725 0.40429 3.81944
72 1NVM NAD 0.002079 0.4041 3.81944
73 1R18 SAH 0.005508 0.41078 3.96476
74 3DUW SAH 0.009191 0.40723 4.03587
75 1P77 ATR 0.003867 0.45811 4.04412
76 2VDV SAM 0.02364 0.40104 4.06504
77 5MSO NAP 0.0000004685 0.56077 4.16667
78 2FR1 NDP 0.0000001012 0.55564 4.16667
79 5KKA 6V0 0.0001425 0.44226 4.16667
80 3VPH NAD 0.0001045 0.44198 4.16667
81 3KB6 NAD 0.0006803 0.43241 4.16667
82 3VPH OXM 0.0002327 0.42203 4.16667
83 1ZMD NAI 0.003743 0.409 4.16667
84 4PIV NDP 0.0000001359 0.55785 4.39394
85 1WDK NAD 0.0004693 0.45255 4.51389
86 3ABI NAD 0.0002119 0.44546 4.51389
87 2C5A NAD 0.0000003652 0.43753 4.51389
88 2C5A GDC 0.0000003652 0.43753 4.51389
89 4L8V NAP 0.0008744 0.42229 4.51389
90 3O7W SAM 0.008873 0.42168 4.51389
91 3TTM PUT 0.0107 0.42148 4.51389
92 3X01 AMP 0.02557 0.4166 4.51389
93 4TXI FAD 0.0008924 0.41301 4.51389
94 5X20 NAD 0.003559 0.40988 4.51389
95 2GZ3 NAP 0.001048 0.40439 4.51389
96 2BRY FAD 0.001165 0.40404 4.51389
97 4PVD NDP 0.0000001048 0.58653 4.86111
98 3V1Y NAD 0.000298 0.44977 4.86111
99 3NJ4 AFX 0.01103 0.42794 4.86111
100 3NJ4 NAD 0.01106 0.42789 4.86111
101 1MUU NAD 0.003438 0.41049 4.86111
102 1P31 EPU 0.009658 0.40943 4.86111
103 4UCI SAM 0.01126 0.40331 4.86111
104 1APZ ASP 0.03389 0.4078 4.96454
105 1EJ0 SAM 0.004646 0.42383 5
106 3QX9 ATP 0.01632 0.42578 5.07246
107 1U8X NAD 0.0009707 0.42946 5.08475
108 1GUZ NAD 0.0001793 0.45151 5.20833
109 2B4R NAD 0.0006809 0.42225 5.20833
110 5JJR SAH 0.007941 0.41329 5.20833
111 2B4R AES 0.001658 0.41183 5.20833
112 4BG4 ARG 0.03158 0.40921 5.20833
113 5IN4 6CK 0.0000957 0.53324 5.21978
114 5IN4 NAP 0.00009751 0.53324 5.21978
115 5IN4 GDP 0.0001085 0.52998 5.21978
116 5L95 AMP 0.0006099 0.45945 5.37634
117 2DBZ NAP 0.0008513 0.42563 5.38922
118 3WV8 ATP 0.00115 0.44726 5.50459
119 1DKU AP2 0.005817 0.45785 5.55556
120 5AHO TLA 0.005643 0.43709 5.55556
121 1BW9 NAD 0.002709 0.42393 5.55556
122 1C1X NAD 0.001376 0.42346 5.55556
123 5JAQ NAI 0.000128 0.41876 5.55556
124 2I3G NAP 0.001182 0.41358 5.55556
125 1X7D NAD 0.002659 0.40669 5.55556
126 1L7E NAI 0.005539 0.40486 5.55556
127 5THZ SAH 0.01073 0.40423 5.55556
128 1LUA NAP 0.005051 0.41551 5.57491
129 4CJX NAP 0.002272 0.41775 5.64263
130 1LSS NAD 0.000642 0.45443 5.71429
131 3QH2 3NM 0.04622 0.40051 5.88235
132 4HXY NDP 0.00000002812 0.58314 5.90278
133 1RKX NAD 0.0000002834 0.54654 5.90278
134 2C29 NAP 0.0000002075 0.47947 5.90278
135 2C29 DQH 0.0000007269 0.4638 5.90278
136 2CVQ NDP 0.0001482 0.45467 5.90278
137 1WP4 NDP 0.001723 0.4167 5.90278
138 3G2O SAM 0.007282 0.41499 6.02007
139 2WA2 SAM 0.006996 0.41923 6.15942
140 3LU1 NAD 0.00000007666 0.57494 6.25
141 3OJO NAD 0.0007683 0.4436 6.25
142 1X14 NAD 0.002762 0.43788 6.25
143 1PZG A3D 0.0002688 0.41315 6.25
144 3G89 SAM 0.02436 0.4004 6.25
145 1ZQ9 SAM 0.003324 0.43041 6.31579
146 5CAE COA 0.0009337 0.43663 6.38978
147 3JWH SAH 0.01061 0.42176 6.45161
148 1EZ4 NAD 0.0005517 0.43918 6.59722
149 1E5Q NDP 0.0006646 0.42974 6.59722
150 1OC2 NAD 0.00000252 0.41775 6.59722
151 1OC2 TDX 0.00000252 0.41775 6.59722
152 1DJN ADP 0.003916 0.41402 6.59722
153 1O94 ADP 0.004697 0.40781 6.59722
154 4RDH AMP 0.02121 0.40002 6.59722
155 2AJH MET 0.03013 0.40859 6.63265
156 5T9E NAP 0.003149 0.40921 6.64207
157 1KYQ NAD 0.00201 0.44425 6.93431
158 4ZRN NAD 0.00000002057 0.56395 6.94444
159 1RPN NDP 0.000001657 0.48906 6.94444
160 4ZRN UPG 0.0000002289 0.45706 6.94444
161 2A92 NAI 0.0003776 0.4279 6.94444
162 2DT5 NAD 0.000266 0.44496 7.109
163 1LDN NAD 0.0002166 0.44043 7.29167
164 4JK3 NAD 0.0007507 0.43389 7.33591
165 1OMZ UD2 0.01071 0.40427 7.50853
166 1TZD ADP 0.005406 0.46122 7.63636
167 4J1Q NDP 0.00000009425 0.56201 7.63889
168 4EUE NAI 0.00001011 0.48374 7.63889
169 1EBF NAD 0.0009093 0.4371 7.63889
170 5N2I NAP 0.004921 0.416 7.63889
171 2FHE GSH 0.03162 0.41125 7.87037
172 1S9D GDP 0.02573 0.40266 7.92683
173 4NEC SAH 0.01997 0.40127 7.95455
174 4U7W NDP 0.00000001422 0.61452 7.98611
175 3MJE NDP 0.00000001208 0.60513 7.98611
176 3GCZ SAM 0.003974 0.4269 8.15603
177 2D2I NAP 0.004422 0.41181 8.1579
178 2XYQ SAH 0.01005 0.40865 8.19672
179 3KLJ FAD 0.001089 0.40596 8.31169
180 1GY8 NAD 0.0000001816 0.55313 8.33333
181 1EQ2 NAP 0.0000009856 0.53321 8.33333
182 1DCP HBI 0.03013 0.40011 8.65385
183 2PV7 NAD 0.0003109 0.44565 8.68056
184 2Q0L NAP 0.02082 0.40041 8.68056
185 3OA2 NAD 0.0004538 0.43608 9.02778
186 2UYQ SAM 0.01413 0.43143 9.02778
187 1EK6 NAI 0.0000008055 0.42768 9.02778
188 1EK6 UPG 0.000000985 0.4194 9.02778
189 3B20 NAD 0.003948 0.41091 9.14454
190 5MDH NAD 0.0000501 0.4765 9.375
191 3H8V ATP 0.000533 0.46633 9.375
192 4MDH NAD 0.0001309 0.46027 9.375
193 4GKV NAD 0.0006599 0.4103 9.375
194 1VM6 NAD 0.003421 0.41057 9.64912
195 3CIF NAD 0.0003031 0.44279 9.72222
196 3CIF G3H 0.001422 0.40211 9.72222
197 3ORF NAD 0.0000006073 0.54602 9.96016
198 1ORR NAD 0.0000000556 0.55799 10.0694
199 1TI7 NAP 0.002731 0.42712 10.0694
200 2VUT NAD 0.003715 0.42131 10.0694
201 1YS4 NAP 0.009266 0.40113 10.0694
202 3EJ0 11X 0.01738 0.41734 10.7143
203 3GFB NAD 0.0005249 0.4368 11.1111
204 5F8F SFG 0.01492 0.40728 11.1111
205 1Y1P NMN AMP PO4 0.000002223 0.54968 11.8056
206 2PZM NAD 0.000005929 0.44504 11.8056
207 2PZM UDP 0.000005929 0.44504 11.8056
208 3A06 NDP 0.000887 0.40541 11.8056
209 2EXX NAP 0.0002545 0.42546 12.1528
210 2Q1W NAD 0.0000005814 0.52267 12.5
211 3LKZ SFG 0.008205 0.40942 12.8472
212 2QV7 ADP 0.01676 0.40488 12.8472
213 2X6T NAP 0.0000004385 0.54645 13.1944
214 2HK9 ATR 0.002699 0.4559 13.1944
215 5DN9 NAD 0.0007297 0.413 13.1944
216 2HK9 NAP 0.003131 0.41212 13.1944
217 2Y6Q FAD 0.000643 0.41786 13.5417
218 1WMA NDP 0.0000008652 0.46152 13.8889
219 1WMA AB3 0.0000008652 0.46152 13.8889
220 4D3F NAP 0.0008564 0.44524 13.8889
221 2VYN NAD 0.001767 0.41348 13.8889
222 3O26 NDP 0.00000002562 0.59285 14.9306
223 2OOR NAD 0.005322 0.41142 14.9425
224 3CH6 NAP 0.00000001271 0.44813 15.035
225 3CH6 311 0.00000001271 0.44813 15.035
226 4K26 NDP 0.000000002222 0.62323 15.2174
227 4K26 SFF 0.00000000726 0.54388 15.2174
228 5L53 NAP 0.00000007124 0.61894 15.2778
229 5L4S NAP 0.0000001454 0.51485 15.2778
230 5L4S 6KX 0.0000001454 0.51485 15.2778
231 3QV1 NAD 0.0007384 0.43743 15.8537
232 4O1M NAD 0.00000561 0.5048 17.0139
233 1GZ6 NAI 0.00000005576 0.5719 17.7083
234 4J36 FAD 0.0009081 0.40898 18.75
235 1HDO NAP 0.00001829 0.46479 19.4175
236 1FK8 NAD 0.0000000002949 0.69527 19.4553
237 2DKN NAI 0.0000000000726 0.69608 20.7843
238 1XSE NDP 0.000000000446 0.57191 21.6949
239 2Q46 NAP 0.00000003571 0.5931 25.6917
240 1N5D NDP 0.0000001184 0.55964 27.7778
241 4Q9N NAI 0.000002167 0.51396 28.1879
242 1ZBQ NAD 0.00000001261 0.58695 29.5139
243 4J7U YTZ 0.0000002487 0.48381 29.8611
244 4J7U NAP 0.0000002487 0.48381 29.8611
245 3RJ5 NAD 0.0000002265 0.50767 31.4961
246 2BD0 NAP 0.000000001258 0.62324 31.9672
247 1Z6Z NAP 0.0000001709 0.56184 36.5248
248 1W8D NAP 0.000000001129 0.6794 37.7483
249 1W73 NAP 0.000000001754 0.67155 37.7483
250 4FC7 COA 0.00000007277 0.49808 38.6282
251 4FC7 NAP 0.00000007277 0.49808 38.6282
252 4D42 W0I 0.0000009408 0.44121 39.0071
253 4D42 NAP 0.0000009408 0.44121 39.0071
254 1W6U NAP 0.000000001752 0.67157 39.0728
255 2PD4 DCN 0.000005506 0.47815 39.6364
256 2PD4 NAD 0.000006127 0.47672 39.6364
257 3WXB NDP 0.00000003065 0.58128 41.9355
258 1U7T NAD 0.000000002814 0.6419 42.1456
259 1E3W NAD 0.000000002317 0.63211 42.1456
260 1U7T TDT 0.000000001578 0.55097 42.1456
261 1E6W NAD 0.000000001181 0.64312 42.6923
262 1QG6 TCL 0.000004415 0.44496 42.9119
263 1QG6 NAD 0.000004415 0.44496 42.9119
264 5CG1 NAD BBN 0.000004188 0.40849 43.4028
265 4OHU NAD 0.000006479 0.40437 43.4028
266 4OHU 2TK 0.000006479 0.40437 43.4028
267 1NFQ NAI 0.0000000004858 0.63681 43.4615
268 2Q2V NAD 0.0000000002211 0.64036 43.5294
269 2WYV NAD 0.00001203 0.49233 43.6782
270 3OJF NDP 0.000002701 0.48691 43.9689
271 3OJF IMJ 0.000004596 0.45146 43.9689
272 1YXM ADE 0.00008838 0.5459 44.0972
273 5ITV NAI 0.000000000108 0.67135 44.3137
274 3VZS NAP 0.00000001599 0.50881 44.358
275 3VZS CAA 0.00000006441 0.42723 44.358
276 3QWI NAP 0.00000000004365 0.67447 44.4444
277 3QWI CUE 0.0000000001496 0.57946 44.4444
278 1AE1 NAP 0.0000000004086 0.63165 45.0549
279 2ZAT NAP 0.00000002439 0.59365 45.3846
280 4ZA2 NAD 0.000000002138 0.63988 45.4545
281 3AFN NAP 0.0000000002504 0.6384 46.124
282 1ZEM NAD 0.0000000009933 0.66663 46.1832
283 2CFC NAD 0.0000000004525 0.66568 46.4
284 3NUG NAD 0.0000000002555 0.65733 46.5587
285 1VL8 NAP 0.0000000009265 0.61925 46.8165
286 3AY6 NAI 0.000000002873 0.5701 47.2119
287 3AY6 BGC 0.00000001241 0.48524 47.2119
288 1O5I NAD 0.000001415 0.57605 47.3896
289 1H5Q NAP 0.00000000008552 0.675 47.5472
290 2WSB NAD 0.000000006743 0.53974 47.6378
291 2AE2 NAP 0.0000000003953 0.57694 47.6923
292 2AE2 PTO 0.0000000003953 0.57694 47.6923
293 1XKQ NDP 0.000000001158 0.61536 47.8571
294 2B4Q NAP 0.000000003961 0.62335 48.1884
295 1PR9 NAP 0.0000000007505 0.62173 48.3607
296 3D3W NAP 0.000000002138 0.60565 48.3607
297 4QED NAP 0.000000005159 0.61903 48.7903
298 3OID NDP 0.0000000000252 0.6722 48.8372
299 4NBT NAD 0.0000000006637 0.65931 49.1667
300 1GEE NAD 0.000000001552 0.63866 49.4253
Pocket No.: 2; Query (leader) PDB : 5K6A; Ligand: 6QT; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 5k6a.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2P6W FLC 0.01739 0.40357 6.57277
Pocket No.: 3; Query (leader) PDB : 5K6A; Ligand: NAP; 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: 5k6a.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5K6A; Ligand: 6QT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5k6a.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5K6A; 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: 5k6a.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5K6A; Ligand: 6QT; 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: 5k6a.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5K6A; 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: 5k6a.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5K6A; Ligand: 6QT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5k6a.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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