Receptor
PDB id Resolution Class Description Source Keywords
4DFU 1.98 Å NON-ENZYME: OTHER INHIBITION OF AN ANTIBIOTIC RESISTANCE ENZYME: CRYSTAL STRUC AMINOGLYCOSIDE PHOSPHOTRANSFERASE APH(2")-ID/APH(2")-IVA INW ITH KANAMYCIN INHIBITED WITH QUERCETIN ENTEROCOCCUS CASSELIFLAVUS STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID EUKARYOTIC PROTEIN KINASE-LIKE FOLD TRANSANTIBIOTIC-INHIBITOR COMPLEX AMINOGLYCOSIDE PHOSPHOTRANSFEKINASE TRANSFERASE AMINOGLYCOSIDES KANAMYCIN FLAVANOIDSQUERCETIN INTRACELLULAR ANTIBOTIC TRANSFERASE-ANTIBOTIC-COMPLEX
Ref.: A SMALL MOLECULE DISCRIMINATION MAP OF THE ANTIBIOT RESISTANCE KINOME. CHEM.BIOL. V. 18 1591 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:403;
B:404;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
KAN A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
484.499 C18 H36 N4 O11 C1[C@...
QUE A:402;
B:401;
B:403;
Valid;
Valid;
Valid;
none;
none;
none;
Ki = 25 uM
302.236 C15 H10 O7 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DFU 1.98 Å NON-ENZYME: OTHER INHIBITION OF AN ANTIBIOTIC RESISTANCE ENZYME: CRYSTAL STRUC AMINOGLYCOSIDE PHOSPHOTRANSFERASE APH(2")-ID/APH(2")-IVA INW ITH KANAMYCIN INHIBITED WITH QUERCETIN ENTEROCOCCUS CASSELIFLAVUS STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID EUKARYOTIC PROTEIN KINASE-LIKE FOLD TRANSANTIBIOTIC-INHIBITOR COMPLEX AMINOGLYCOSIDE PHOSPHOTRANSFEKINASE TRANSFERASE AMINOGLYCOSIDES KANAMYCIN FLAVANOIDSQUERCETIN INTRACELLULAR ANTIBOTIC TRANSFERASE-ANTIBOTIC-COMPLEX
Ref.: A SMALL MOLECULE DISCRIMINATION MAP OF THE ANTIBIOT RESISTANCE KINOME. CHEM.BIOL. V. 18 1591 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4DFU Ki = 25 uM QUE C15 H10 O7 c1cc(c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4DFU Ki = 25 uM QUE C15 H10 O7 c1cc(c(cc1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4DFU Ki = 25 uM QUE C15 H10 O7 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KAN; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 KAN 1 1
2 9CS 0.75 1
3 TOY 0.661765 0.957447
4 KNC 0.661538 0.978261
5 RIO 0.460526 0.958333
Ligand no: 2; Ligand: QUE; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 QUE 1 1
2 KMP 0.678571 0.967742
3 MYC 0.649123 1
4 MYU 0.57377 1
5 MRI 0.557377 0.967742
6 FSE 0.52459 0.967742
7 6JM 0.516129 0.967742
8 CC6 0.515625 0.967742
9 QCT 0.481013 0.885714
10 LU2 0.454545 1
11 NRA 0.40625 0.903226
12 RUT 0.402062 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DFU; Ligand: KAN; Similar sites found: 11
This union binding pocket(no: 1) in the query (biounit: 4dfu.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HMT FMN 0.03079 0.40101 None
2 3SFX JAN 0.02429 0.41591 4.01146
3 3SFX FII 0.02429 0.41591 4.01146
4 5IH1 GDP 0.01591 0.43764 22.6708
5 5IH1 6BQ 0.01591 0.43764 22.6708
6 5IGI ZIT 0.03479 0.40962 32.2259
7 5IGI GMP 0.03891 0.40603 32.2259
8 5IQD RIO 0.00005987 0.55565 47.541
9 5IQD GNP 0.00005625 0.55565 47.541
10 3HAV ATP 0.0004554 0.49444 48.8294
11 3HAV SRY 0.000535 0.46653 48.8294
Pocket No.: 2; Query (leader) PDB : 4DFU; Ligand: QUE; Similar sites found: 356
This union binding pocket(no: 2) in the query (biounit: 4dfu.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M0W ANP 0.0002347 0.49623 1.5528
2 3I0O ADP 0.0003568 0.48155 1.5528
3 2Q4H AMP 0.02857 0.40807 1.5528
4 2CVQ NDP 0.03696 0.40459 1.5528
5 4BKJ STI 0.004647 0.44664 1.5873
6 5VC5 96M 0.001671 0.473 1.7301
7 5NCY 8TK 0.00001467 0.58464 1.86335
8 4U98 ACP 0.0000554 0.53032 1.86335
9 4W6Z 8ID 0.03512 0.41334 1.86335
10 2QF7 AGS 0.02692 0.40944 1.86335
11 1IOW ADP 0.002181 0.47528 1.96078
12 1IOW PHY 0.002181 0.47528 1.96078
13 1BYG STU 0.006021 0.42589 2.15827
14 3ETH ATP 0.0002964 0.50294 2.17391
15 1E4E ADP 0.0003149 0.49724 2.17391
16 1EHI ADP 0.0004858 0.48768 2.17391
17 5MW8 ATP 0.002049 0.4617 2.17391
18 5C03 AGS 0.002397 0.45038 2.17391
19 1OPK P16 0.005701 0.44915 2.17391
20 4IZY 1J2 0.003166 0.44829 2.17391
21 4CLI 5P8 0.01804 0.43395 2.17391
22 4UX9 ANP 0.01209 0.41849 2.17391
23 5TA6 79D 0.02234 0.41374 2.17391
24 3TY5 ADP 0.01152 0.41178 2.17391
25 2OO8 RAJ 0.009783 0.42496 2.2082
26 4U0I 0LI 0.004311 0.4556 2.22222
27 4NFN 2KC 0.0000478 0.53354 2.26537
28 2CNE DFJ 0.03969 0.41041 2.30263
29 2J7T 274 0.001722 0.47532 2.31788
30 3ORQ ADP 0.002945 0.44989 2.38727
31 5USZ SKE 0.002731 0.46181 2.42215
32 5KO1 6UY 0.01774 0.4044 2.4735
33 4AZT LY2 0.000005672 0.57004 2.48447
34 3X01 AMP 0.00003061 0.51305 2.48447
35 4BHN BH9 0.0001943 0.51016 2.48447
36 4UWH JXM 0.00002592 0.48715 2.48447
37 5UIU 8CG 0.004633 0.45259 2.48447
38 4U44 3D9 0.002234 0.45193 2.48447
39 5TT5 NAD 0.004097 0.44949 2.48447
40 2VQD AP2 0.005446 0.43624 2.48447
41 4YZC STU 0.01578 0.4313 2.48447
42 4YNU FAD 0.03515 0.42036 2.48447
43 3Q9T FAY 0.03859 0.41297 2.48447
44 4PZ6 GMP 0.003869 0.40535 2.48447
45 3ALN ANP 0.01887 0.40304 2.48447
46 4K38 SAM 0.02457 0.40092 2.48447
47 4WOV 3SM 0.009175 0.41448 2.52366
48 2GQS ADP 0.009715 0.41761 2.53165
49 2GQR ADP 0.01053 0.41585 2.53165
50 2Q7D ANP 0.0001489 0.41014 2.60116
51 4AUA 4AU 0.0004105 0.48667 2.60586
52 1ZY5 ANP 0.007301 0.42386 2.64026
53 2CSN CKI 0.001135 0.48019 2.6936
54 2PYW ADP 0.00007744 0.53055 2.79503
55 4XV1 904 0.001597 0.48123 2.79503
56 4CQE CQE 0.001528 0.4664 2.79503
57 2YRX AMP 0.001078 0.44228 2.79503
58 3UA1 08Y 0.01468 0.43889 2.79503
59 3FC4 EDO 0.02522 0.43447 2.79503
60 5BV3 M7G 0.02516 0.4004 2.79503
61 5M06 ADP 0.008916 0.41736 2.89855
62 4ZS4 ATP 0.004038 0.44096 2.9316
63 2BKK ADP 0.0000536 0.52522 2.95858
64 4NST ADP 0.00966 0.41975 2.98507
65 5CEO 50D 0.01759 0.40653 3
66 4ZGP ADP 0.008027 0.42179 3.07167
67 2QK4 ATP 0.0000678 0.5137 3.10559
68 4ME6 ADP 0.00003082 0.51321 3.10559
69 2R7K AMZ 0.0004122 0.50653 3.10559
70 4BTK DTQ 0.0003076 0.49542 3.10559
71 2PUL ACP 0.001446 0.45921 3.10559
72 3C0G 3AM 0.004555 0.4296 3.10559
73 4O4K 2PK 0.02432 0.4076 3.10559
74 3VPC ADP 0.0009696 0.47654 3.19149
75 3PDT ADP 0.01895 0.40092 3.27273
76 4ANW O92 0.00003335 0.56926 3.41615
77 2YW2 ATP 0.00002433 0.55621 3.41615
78 4MV1 ADP 0.007369 0.4445 3.41615
79 3C1X CKK 0.0103 0.4238 3.41615
80 5LI1 ANP 0.01067 0.42301 3.41615
81 1H2B NAJ 0.04336 0.40529 3.41615
82 5EOB 5QQ 0.02199 0.43642 3.44828
83 4I94 ANP 0.005221 0.4312 3.66667
84 4OCJ NDG 0.00003509 0.57582 3.72671
85 4OCV ANP 0.00001009 0.57308 3.72671
86 4GYI ADP 0.000001661 0.54397 3.72671
87 3K5I ADP 0.0002032 0.50917 3.72671
88 3K5I AIR 0.001226 0.486 3.72671
89 1GSA ADP 0.0007574 0.48398 3.72671
90 2IO8 ADP 0.004499 0.44575 3.72671
91 1N62 MCN 0.01236 0.43811 3.72671
92 1CKM GTP 0.007069 0.43045 3.72671
93 5AWM ANP 0.005994 0.42122 3.72671
94 4O1P ANP 0.01395 0.41164 3.72671
95 3WLE NAD 0.04581 0.40697 3.72671
96 1XNG ATP 0.02366 0.40177 3.73134
97 3RE4 TO1 0.0001376 0.50192 3.87597
98 1ZTH ADP 0.007968 0.41512 3.87597
99 1ZP9 ATP 0.01813 0.40188 3.87597
100 3VOT ADP 0.0000243 0.53896 4.03727
101 3V4S ATP 0.00007594 0.53327 4.03727
102 4NZN ANP 0.0002855 0.53274 4.03727
103 4NZN 2OU 0.0002855 0.53274 4.03727
104 3AKK ADP 0.00007117 0.53002 4.03727
105 3V4S ADP 0.0003703 0.5179 4.03727
106 1XJD STU 0.0006849 0.4801 4.03727
107 5VZ0 ADP 0.0007433 0.47373 4.03727
108 3KRL KRL 0.001687 0.4642 4.03727
109 4G17 0VN 0.002021 0.44958 4.03727
110 4WHZ 3NL 0.01355 0.44431 4.03727
111 1OBD ATP 0.002697 0.44089 4.03727
112 3E7O 35F 0.00869 0.44067 4.03727
113 4CRL C1I 0.01715 0.42604 4.03727
114 3SXF BK5 0.01828 0.42567 4.03727
115 5EFQ ADP 0.008837 0.42171 4.03727
116 5EW9 5VC 0.03714 0.4439 4.05904
117 4XLI 1N1 0.002255 0.44953 4.10448
118 5A4W QCT 0.01946 0.43213 4.24528
119 4XYM A12 0.0001786 0.50974 4.34783
120 5COU ATP 0.0006765 0.47578 4.34783
121 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.009362 0.45881 4.34783
122 2JDR L20 0.009362 0.45881 4.34783
123 3MVH WFE 0.007719 0.44085 4.34783
124 3M2W L8I 0.01293 0.40705 4.34783
125 5DMZ ADP 0.01728 0.40692 4.34783
126 3RI1 3RH 0.004517 0.44883 4.47284
127 3AB4 THR 0.01441 0.4024 4.49438
128 5UR1 YY9 0.005156 0.4629 4.50161
129 4WNP 3RJ 0.00439 0.43039 4.52962
130 5JFS 6K0 0.004757 0.46276 4.54545
131 2GU8 796 0.002952 0.48619 4.65839
132 1RE8 BD2 0.01706 0.43705 4.65839
133 4WB6 ATP 0.01037 0.42993 4.65839
134 2C7G FAD 0.03233 0.42968 4.65839
135 3IDB ANP 0.008998 0.42851 4.65839
136 2QCS ANP 0.01249 0.42569 4.65839
137 4WB7 ATP 0.02509 0.4193 4.65839
138 5HVJ ANP 0.003156 0.40874 4.65839
139 5W2I ADP 0.001674 0.46802 4.66926
140 5W2I I3P 0.001674 0.46802 4.66926
141 1T3Q MCN 0.02959 0.41642 4.7619
142 5I35 ANP 0.0000957 0.51841 4.96894
143 1U59 STU 0.0001378 0.51302 4.96894
144 4JR7 GNP 0.0009639 0.47037 4.96894
145 5JGA 6KC 0.005218 0.45249 4.96894
146 4YLL 4E3 0.003846 0.44759 4.96894
147 5AX9 4KT 0.008333 0.42301 4.96894
148 4CYI ATP 0.01079 0.42103 4.96894
149 4Y85 499 0.009996 0.41699 4.96894
150 4G31 0WH 0.003721 0.4616 5.01672
151 5DH3 5BS 0.01529 0.41325 5.07937
152 5JKG 6LF 0.006275 0.45408 5.14469
153 4YMJ 4EJ 0.0004362 0.45936 5.26316
154 4PU5 ANP 0.000306 0.50427 5.2795
155 4E93 GUI 0.001804 0.47706 5.2795
156 5IH9 6BF 0.005249 0.45602 5.2795
157 5X8I SQZ 0.00264 0.44826 5.2795
158 2WU6 DKI 0.004229 0.44546 5.2795
159 5HES 032 0.007618 0.43056 5.2795
160 4NW6 2NS 0.01746 0.42446 5.2795
161 4USF 6UI 0.01299 0.42183 5.2795
162 4OUC 5ID 0.008815 0.4176 5.2795
163 5EXK 5AD 0.01237 0.40051 5.2795
164 4AT3 LTI 0.002841 0.46383 5.35117
165 2X4Z X4Z 0.008678 0.4431 5.40541
166 4EWH T77 0.001053 0.48352 5.45455
167 5VCV 1N1 0.005292 0.4421 5.46624
168 4KS7 X4Z 0.002536 0.45692 5.47945
169 3EKK GS2 0.01131 0.43914 5.53746
170 3BU5 ATP 0.01317 0.41293 5.55556
171 4LH7 1X8 0.0004414 0.43239 5.57276
172 5MJA 7O3 0.01276 0.40956 5.57377
173 3DLS ADP 0.0002029 0.49938 5.59006
174 2VPQ ANP 0.004043 0.44647 5.59006
175 4GKV NAD 0.04261 0.40673 5.59006
176 4C2V YJA 0.006278 0.4456 5.61404
177 1S68 AMP 0.001702 0.44233 5.62249
178 2XVD AS6 0.008889 0.43626 5.62914
179 3EWP APR 0.01287 0.42355 5.64972
180 5EYK 5U5 0.01033 0.43143 5.7971
181 4CSV STI 0.003752 0.44815 5.81818
182 3FHI ANP 0.01271 0.42528 5.84416
183 5C1P DAL DAL 0.0005507 0.49484 5.88235
184 5C1P ADP 0.000285 0.48927 5.88235
185 2V58 LZJ 0.003639 0.47316 5.90062
186 3V8S 0HD 0.003707 0.43867 5.90062
187 3GC0 AMP 0.003515 0.43518 5.90062
188 3TXO 07U 0.005138 0.42933 5.90062
189 4BFM ANP 0.01968 0.40761 5.90062
190 4B1Y ATP 0.02397 0.40641 5.90062
191 2V52 ATP 0.02269 0.40608 5.90062
192 1T44 ATP 0.02209 0.40503 5.90062
193 4IDT T28 0.01823 0.4038 5.90062
194 1PHK ATP 0.01574 0.41085 6.04027
195 5DEY 59T 0.002018 0.49376 6.06061
196 4OTH DRN 0.006705 0.43341 6.15836
197 2Q97 ATP 0.0233 0.40705 6.20155
198 4Y0X ADP 0.00007191 0.52185 6.21118
199 3OFM 4B0 0.0006393 0.47189 6.21118
200 4EN4 GT1 0.0106 0.44278 6.21118
201 4EN4 ATP 0.0106 0.44278 6.21118
202 4EN4 GT0 0.0106 0.44278 6.21118
203 4L3L 5FI 0.00691 0.4434 6.25
204 4IQY AR6 0.01873 0.41353 6.25
205 2X2M X2M 0.007932 0.42965 6.36943
206 3W0O ADP 0.000002671 0.62371 6.52174
207 3W0O HY0 0.000002671 0.62371 6.52174
208 2AQX ATP 0.000932 0.47742 6.57439
209 1VJY 460 0.03181 0.41043 6.60066
210 4TWP AXI 0.001558 0.49342 6.64207
211 4M69 ANP 0.008991 0.42509 6.71378
212 3UIM ANP 0.002661 0.44809 6.74847
213 5FI4 5XV 0.000009899 0.58336 6.8323
214 5DXT 5H5 0.00001329 0.56701 6.8323
215 1KJ8 GAR 0.00082 0.50189 6.8323
216 1KJ8 ATP 0.0007775 0.50189 6.8323
217 4ASE AV9 0.004893 0.44851 6.8323
218 5BVE 4VG 0.02342 0.439 6.8323
219 3KN5 ANP 0.003846 0.43787 6.8323
220 3VHE 42Q 0.01991 0.41897 6.8323
221 4IJP 1EH 0.0127 0.4174 6.8323
222 4QTB 38Z 0.0235 0.41387 6.8323
223 3PN1 IVH 0.001399 0.44646 6.91824
224 4AG8 AXI 0.002033 0.47817 6.96203
225 4X7Q 3YR 0.0004933 0.48506 7.05128
226 4FE2 ADP 0.00916 0.41452 7.05882
227 3VPB ADP 0.0005461 0.49503 7.14286
228 1Y57 MPZ 0.01287 0.42046 7.14286
229 5BYZ 4WE 0.02403 0.41583 7.14286
230 2H8H H8H 0.01387 0.41178 7.14286
231 4A4X JUP 0.004392 0.44947 7.16846
232 5U6C 7YS 0.007932 0.42965 7.30159
233 5MY8 RXZ 0.004019 0.44992 7.31071
234 3ORK AGS 0.03349 0.40172 7.3955
235 5TO8 7FM 0.009693 0.44489 7.44681
236 3O0G 3O0 0.0001988 0.50248 7.45342
237 3LXK MI1 0.004118 0.45244 7.45342
238 1UNH IXM 0.001906 0.44837 7.45342
239 4AU8 Z3R 0.0005174 0.44798 7.45342
240 4P5Z Q7M 0.01532 0.43304 7.45342
241 2OKL BB2 0.02257 0.40101 7.45342
242 5H2U 1N1 0.008122 0.42357 7.49064
243 5DA3 58V 0.01445 0.40233 7.54717
244 2OFV 242 0.01037 0.44008 7.58123
245 4C5N PXL 0.0221 0.42122 7.6087
246 4C5N ACP 0.02244 0.41975 7.6087
247 5TT6 ATP 0.0006529 0.48535 7.76398
248 2PZI AXX 0.0001897 0.46009 7.76398
249 3ZS7 ATP 0.002491 0.45732 8
250 3G5D 1N1 0.01526 0.44611 8.04196
251 2ZV2 609 0.0007044 0.44617 8.05369
252 2Y6O 1N1 0.004853 0.44063 8.24742
253 2FAV APR 0.0007355 0.49003 8.33333
254 2BFR ADP 0.01454 0.41927 8.33333
255 4N70 2HX 0.002717 0.48301 8.38509
256 3QCQ 3Q0 0.01684 0.45856 8.38509
257 1R37 NAD 0.01919 0.42562 8.38509
258 1CM8 ANP 0.008722 0.41997 8.38509
259 2IF8 ADP 0.0001325 0.49604 8.53994
260 3CY2 MB9 0.0003074 0.50417 8.59873
261 5LVP ATP 0.01042 0.41173 8.68167
262 1T36 ADP 0.001877 0.47036 8.69565
263 3GGF GVD 0.008018 0.41967 8.9701
264 2YAB AMP 0.001502 0.46278 9.00621
265 1Q8Y ADE 0.0008841 0.45924 9.00621
266 1Q8Y ADP 0.01283 0.41717 9.00621
267 3TPV ADE 0.0006047 0.40768 9.00621
268 1TZD ADP 0.0001423 0.45384 9.09091
269 4CC6 L5Y 0.0008474 0.46014 9.1195
270 4Q5H ANP 0.000001702 0.49716 9.21053
271 5HCY 60D 0.03736 0.4164 9.31677
272 5A6N U7E 0.0004295 0.49039 9.54064
273 5W4W 9WG 0.002189 0.47123 9.62733
274 4KBA 1QM 0.003514 0.45606 9.62733
275 4QMN DB8 0.0006968 0.50316 9.67742
276 1W2D 4IP 0.002442 0.46585 9.81132
277 1W2D ADP 0.0007439 0.46585 9.81132
278 5TDF ADP 0.00005152 0.53958 9.93789
279 5HX8 66P 0.001353 0.4762 9.93789
280 4LRJ ANP 0.0002137 0.50089 10.0592
281 3KMW ATP 0.001097 0.46524 10.0775
282 4WNK 453 0.002318 0.4685 10.2484
283 4F9C 0SX 0.003659 0.43896 10.4167
284 3KRR DQX 0.004318 0.48215 10.5085
285 3ZRM ZRM 0.000292 0.49656 10.559
286 2JLD AG1 0.001393 0.4844 10.559
287 3F7Z 34O 0.0007106 0.47706 10.559
288 4NM5 ADP 0.00766 0.43213 10.559
289 4OAV ACP 0.01642 0.4061 10.559
290 3WO0 ALA 0.0005729 0.5103 10.8696
291 2V7O DRN 0.0003083 0.48158 10.8696
292 2XK9 XK9 0.02369 0.42065 10.8696
293 4O4F ATP 0.0004277 0.50054 10.8871
294 4O4F IHP 0.0004626 0.50054 10.8871
295 2HK5 1BM 0.02591 0.40145 11.1111
296 3PE2 E1B 0.0004149 0.52605 11.1801
297 3GC8 B45 0.006886 0.43281 11.1801
298 2YAK OSV 0.003604 0.45837 11.2281
299 4EUU BX7 0.004327 0.44981 11.2853
300 1TQP ATP 0.00002278 0.56462 11.7021
301 2VZ6 FEF 0.001504 0.45348 11.8012
302 3PLS ANP 0.005497 0.43007 11.8012
303 3AQV TAK 0.0003877 0.49035 11.9565
304 3VPD ANP 0.001031 0.47517 12.1118
305 4UAL 3FV 0.003193 0.44409 12.1118
306 4EFH ADP 0.01575 0.40897 12.1212
307 3SRV S19 0.003332 0.44101 12.2744
308 4FG8 ATP 0.006512 0.43227 12.381
309 2VN9 GVD 0.002572 0.43658 12.4224
310 4Y8D 49J 0.006546 0.42832 12.4224
311 4F4P 0SB 0.01141 0.45539 12.4542
312 3HZT J60 0.0005491 0.47234 12.7329
313 4AXD ANP 0.009462 0.44441 12.7329
314 3UDZ ADP 0.003544 0.44384 12.7329
315 4YZN 4K5 0.00275 0.4551 12.892
316 5UOX 8GY 0.0001112 0.52478 12.9151
317 3LXN MI1 0.001965 0.45887 13.0435
318 3MN5 ATP 0.02117 0.40763 13.1579
319 4GJ3 0XP 0.001132 0.48642 13.354
320 4RFM 3P6 0.02501 0.42945 13.354
321 4OH4 ANP 0.002041 0.45392 13.6646
322 2R5T ANP 0.01776 0.41159 13.9752
323 2WEL K88 0.005068 0.41111 14
324 4E1Z 0MX 0.0005177 0.4925 14.0893
325 2F57 23D 0.004146 0.43399 14.1956
326 3TKI S25 0.01015 0.45456 14.2857
327 2HY0 306 0.007837 0.41789 14.2857
328 5FBN 5WF 0.04158 0.40629 14.2857
329 4Y93 746 0.03021 0.40408 14.2857
330 4R78 AMP 0.002607 0.43629 14.5631
331 3E8N ATP 0.01872 0.43395 16.1491
332 3E8N VRA 0.01872 0.43395 16.1491
333 5N87 N66 0.03291 0.41288 17.0807
334 3HMO STU 0.0204 0.40133 17.0807
335 3SLS ANP 0.02631 0.40274 17.1053
336 3SXS PP2 0.001912 0.45948 17.1642
337 2HGS ADP 0.00006371 0.53939 17.7019
338 2BPM 529 0.003308 0.47828 18.0124
339 2XMY CDK 0.005646 0.47621 18.0124
340 4CFU 2WC 0.001828 0.45176 18.0124
341 4BCM T7Z 0.001256 0.44873 18.0124
342 4BCN T9N 0.0008844 0.42719 18.0124
343 4BCQ TJF 0.007822 0.41551 18.0124
344 5LMK 6ZK 0.01573 0.40498 18.0124
345 1V0O INR 0.006359 0.43092 18.4028
346 5HQ0 LZ9 0.002754 0.45138 18.9441
347 5IH1 GDP 0.0001078 0.56265 22.6708
348 5IH1 6BQ 0.0001115 0.56184 22.6708
349 1FFU CDP 0.01889 0.43006 23.913
350 3SJH ATP 0.02852 0.40092 24.0741
351 3PVW QRX 0.003457 0.45491 25.6757
352 5IGI GMP 0.00008365 0.55404 32.2259
353 5IGI ZIT 0.0000888 0.55404 32.2259
354 5IQD RIO 0.000002252 0.64024 47.541
355 5IQD GNP 0.000002099 0.64024 47.541
356 3HAV ATP 0.000005841 0.54495 48.8294
Pocket No.: 3; Query (leader) PDB : 4DFU; Ligand: QUE; 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: 4dfu.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4DFU; Ligand: KAN; Similar sites found: 3
This union binding pocket(no: 4) in the query (biounit: 4dfu.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HMT NNV 0.02355 0.40836 None
2 2GJ5 VD3 0.04534 0.40344 6.79012
3 5A65 TPP 0.02066 0.40228 12.9032
Pocket No.: 5; Query (leader) PDB : 4DFU; Ligand: QUE; Similar sites found: 40
This union binding pocket(no: 5) in the query (biounit: 4dfu.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CB3 APR 0.02612 0.40186 1.0929
2 1IHU AF3 0.01424 0.41209 2.17391
3 1IHU ADP 0.01534 0.41209 2.17391
4 3TY5 ATP 0.009562 0.40651 2.17391
5 3KXW 1ZZ 0.01921 0.41293 2.79503
6 2WTX VDO 0.0498 0.40124 2.79503
7 2WTX UDP 0.04779 0.40124 2.79503
8 4KQI RBZ 0.0372 0.40285 3.10559
9 3TYZ PAB 0.02898 0.40237 3.10559
10 3JQA NAP 0.02261 0.41058 3.125
11 4CLO NAP 0.02462 0.40866 3.125
12 3JQ8 NAP 0.02768 0.40846 3.125
13 3JQ7 NAP 0.02492 0.40839 3.125
14 4CM9 NAP 0.02956 0.40696 3.125
15 3BMN NAP 0.03005 0.40659 3.125
16 3JQF NAP 0.03154 0.40548 3.125
17 4CMI NAP 0.03116 0.40457 3.125
18 5JDC NAP 0.03187 0.40405 3.125
19 3BMQ NAP 0.03368 0.40399 3.125
20 4CME NAP 0.03404 0.40256 3.125
21 4CM4 NAP 0.03535 0.4017 3.125
22 4CLR NAP 0.03633 0.40107 3.125
23 4GLW 0XT 0.006476 0.41204 3.60656
24 1OUK 084 0.04059 0.43772 4.03727
25 3JQQ FAD 0.04449 0.40575 4.43038
26 3W2E NAD 0.03714 0.41179 4.79705
27 3W2E FAD 0.03714 0.41179 4.79705
28 3MN9 ATP 0.0208 0.40213 5.59006
29 2WE5 ADP 0.01389 0.40322 5.80645
30 5FI3 NAP 0.03549 0.40279 5.90062
31 4CBU ATP 0.02704 0.40254 5.90062
32 3NW7 LGV 0.009411 0.44665 6.52174
33 2A5F NAD 0.009447 0.4114 6.85714
34 4N1T 2GD 0.03435 0.40579 6.91824
35 1A59 COA 0.0154 0.40691 10.2484
36 3IE3 N11 0.0157 0.41878 10.5263
37 3IE3 GSH 0.0157 0.41878 10.5263
38 3MN7 ATP 0.02079 0.4054 12.2449
39 4D2S DYK 0.008539 0.41128 17.2535
40 1L6O SER LEU LYS LEU MET THR THR VAL 0.01508 0.40736 23.1579
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