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Receptor
PDB id Resolution Class Description Source Keywords
5FPN 1.96 Å NON-ENZYME: OTHER STRUCTURE OF HEAT SHOCK-RELATED 70KDA PROTEIN 2 WITH SMALL- MOLECULE LIGAND 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ( AT9084) IN AN ALTERNATE BINDING SITE. HOMO SAPIENS SIGNALING PROTEIN HEAT SHOCK CHAPERONE HSP70 HSPA2 PROTEIN-LIGAND COMPLEX FRAGMENT SCREENING ALTERNATE BINDIAT9084.
Ref.: DETECTION OF SECONDARY BINDING SITES IN PROTEINS US FRAGMENT SCREENING. PROC.NATL.ACAD.SCI.USA V. 112 15910 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KYD A:1386;
B:1385;
B:1386;
A:1385;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
140.14 C6 H8 N2 O2 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FPN 1.96 Å NON-ENZYME: OTHER STRUCTURE OF HEAT SHOCK-RELATED 70KDA PROTEIN 2 WITH SMALL- MOLECULE LIGAND 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ( AT9084) IN AN ALTERNATE BINDING SITE. HOMO SAPIENS SIGNALING PROTEIN HEAT SHOCK CHAPERONE HSP70 HSPA2 PROTEIN-LIGAND COMPLEX FRAGMENT SCREENING ALTERNATE BINDIAT9084.
Ref.: DETECTION OF SECONDARY BINDING SITES IN PROTEINS US FRAGMENT SCREENING. PROC.NATL.ACAD.SCI.USA V. 112 15910 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5FPN - KYD C6 H8 N2 O2 Cc1c(c(n[n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 6ASY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 5FPN - KYD C6 H8 N2 O2 Cc1c(c(n[n....
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 5EY4 Kd = 0.75 mM DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 5EX5 - 7DD C11 H16 N4 O10 P2 c1cn(c2c1c....
3 5F1X Kd = 0.78 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3LDP Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
5 5F2R Kd = 0.052 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 5EXW Kd = 0.15 uM 7DT C11 H17 N4 O13 P3 c1cn(c2c1c....
7 3LDO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 5EVZ Kd = 0.27 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3LDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 5F0X - DAT C10 H15 N5 O9 P2 c1nc(c2c(n....
11 3IUC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 3GDQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 3JXU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 6G3R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 2V7Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 6B1I - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
31 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
33 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 6B1N - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
37 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
39 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
40 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
43 6B1M - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
44 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
45 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 5FPM - IWT C8 H6 N2 O S c1ccc(cc1)....
47 5FPE - 3TR C2 H4 N4 c1[nH]nc(n....
48 3I33 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 5FPD - PZA C5 H5 N3 O c1cnc(cn1)....
50 6ASY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
51 3FE1 - ADP MG n/a n/a
52 4GNI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 4JN4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 4JNE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
55 5OBY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
56 5OBW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
57 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
58 6G3S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
59 6FHK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
60 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
61 5AQX - KC7 C21 H23 N3 O4 c1ccc(cc1)....
62 5MKR Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
63 5AR0 Kd = 720 nM GB8 C20 H21 N7 O4 c1cc2cc(cc....
64 5AQW - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
65 5MKS Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
66 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
67 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
68 5AQZ Kd = 3.3 uM SGV C12 H15 N5 O5 c1c(c2c(nc....
69 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
71 5AQY - ADN C10 H13 N5 O4 c1nc(c2c(n....
72 5OBV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
73 5OBU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
74 6EOE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
75 6EOF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
76 5FPN - KYD C6 H8 N2 O2 Cc1c(c(n[n....
77 3QFU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KYD; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KYD 1 1
2 DEE 0.473684 0.789474
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FPN; Ligand: KYD; Similar sites found with APoc: 299
This union binding pocket(no: 1) in the query (biounit: 5fpn.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1NU4 MLA None
3 6C1R EFD 0.947867
4 3SQP 3J8 1.25523
5 3OV6 MK0 1.25945
6 3LDW ZOL 1.51515
7 3LDW IPE 1.51515
8 2R0N TGC 1.52284
9 4XVX P33 FDA 1.54242
10 1U3D FAD 1.57171
11 1A05 IPM 1.67598
12 1XRO LEU 1.70648
13 5JFL NAD 1.71756
14 3SDV 911 1.71875
15 4Q1A 2XZ 1.78571
16 4Q1A UDP 1.78571
17 3HP9 CF1 1.86722
18 3FWN 6PG 1.875
19 3FWN ATR 1.875
20 5K7K 6RJ 1.88679
21 4DJA FAD 1.9305
22 4DJA DLZ 1.9305
23 5L7G 6QE 1.96721
24 1CZA ADP 2.03125
25 6BMM OLB 2.04778
26 3ET3 ET1 2.05479
27 1ZED PNP 2.06612
28 4ONA UW1 2.06612
29 2P8U COA 2.09205
30 2HFP NSI 2.12766
31 4Y0X ADP 2.13333
32 1HG4 LPP 2.15054
33 2WYA HMG 2.17391
34 4COL DTP 2.1875
35 1LVK MNT BEF 2.1875
36 3GZ9 D32 2.23048
37 3NT6 COA 2.26481
38 3NTA COA 2.26481
39 2J7T 274 2.31788
40 4G31 0WH 2.34114
41 1N20 3AG 2.36794
42 3KFC 61X 2.37154
43 3G4G D71 2.3753
44 4U63 FAD 2.40964
45 5FVJ ACO 2.40964
46 4F97 GDP 2.41449
47 3NTD COA 2.47788
48 4IS0 1R4 2.48963
49 1PZL MYR 2.53165
50 3ETH ATP 2.53521
51 4U0I 0LI 2.53968
52 2P1C GG3 2.5641
53 1X8J A3P 2.5641
54 3FS1 MYR 2.6087
55 6ESN BWE 2.62172
56 1HK8 DGT 2.64463
57 6MVU K4V 2.65625
58 3WQM B29 2.65781
59 3AI3 SOE 2.6616
60 4LPG 1MV 2.66667
61 1RTW MP5 2.72727
62 2O4J VD4 2.73973
63 2W90 6PG 2.76008
64 6B3A SAM 2.76074
65 1XK9 P34 2.7907
66 2XCG XCG 2.8125
67 3GWL FAD 2.83019
68 1EE4 PRO ALA ALA LYS ARG VAL LYS LEU ASP 2.83688
69 3F7Z 34O 2.85714
70 1QNF FAD 2.89256
71 1QNF HDF 2.89256
72 2VL8 CTS 2.9304
73 2VL8 UDP 2.9304
74 3VRV YSD 2.95203
75 4XTX 590 2.96296
76 4RW3 TDA 2.98013
77 5Y72 DST 2.98507
78 2QV6 GTP 2.98507
79 2P54 735 2.99625
80 3FEI CTM 2.99625
81 4WNK 453 3.01003
82 2OZ5 7XY 3.04054
83 4UMJ BFQ 3.04054
84 2FV5 541 3.06513
85 5IXK 6EW 3.07018
86 4OHU NAD 3.11419
87 4OHU 2TK 3.11419
88 1YKF NAP 3.125
89 5NI5 8YB 3.125
90 1KEV NDP 3.1339
91 2HFK E4H 3.1348
92 4C2V YJA 3.15789
93 6DQU GLY ILE ILE ASN THR LEU 3.20755
94 5EKO N17 3.2345
95 4PJT 2YQ 3.24324
96 2OFV 242 3.2491
97 3ER9 3AT 3.367
98 2R40 20E 3.38346
99 2WH8 II2 3.38983
100 5NWI TYR PHE SER SEP ASN 3.43511
101 3VHZ L2P GLC MAN SGA 3.43511
102 5V3Y 5V8 3.4965
103 3KYQ DPV 3.51759
104 3QCJ NX4 3.54839
105 5ZM4 AKG 3.59477
106 5ZM4 9FU 3.59477
107 2VBQ BSJ 3.63636
108 4DK7 0KS 3.64372
109 5DEY 59T 3.7037
110 4M4Q 21A 3.73444
111 4P8O 883 3.74332
112 4QWT ACD 3.75
113 4NKW PLO 3.75
114 5UXM TRP 3.75276
115 2ZCQ B65 3.75427
116 2YW2 ATP 3.77358
117 2UXI G50 3.80952
118 3DCT 064 3.82979
119 2HZL PYR 3.83562
120 1DB1 VDX 3.861
121 3OKI OKI 3.86266
122 2WR1 NAG 3.90625
123 3RUU 37G 3.93013
124 4OIV XX9 3.9823
125 5N69 2OW 4.0201
126 2J07 FAD 4.04762
127 2J07 HDF 4.04762
128 4Z5W TYS ILE TYS THR GLN 4.0625
129 6F68 GSH 4.06504
130 6F68 4EU 4.06504
131 2Z7I 742 4.11765
132 3KB9 BTM 4.18848
133 2RH1 CLR 4.2
134 1LN1 DLP 4.20561
135 5W7U GY8 4.21875
136 5GUE GGS 4.22961
137 4HEE 14R 4.25532
138 4GYI ADP 4.28212
139 4RHE FMN 4.30622
140 3G5K BB2 4.37158
141 4EOX 0S5 4.4335
142 5UQK U2F 4.48029
143 5N9T 8QQ 4.48179
144 1P72 ADP 4.49102
145 4PFT MAB 4.59559
146 2BVL GLC 4.60405
147 2BVL UDP 4.60405
148 3QMN COA 4.65116
149 3F5O UOC COA 4.72973
150 2BHW LUX 4.74138
151 5HWO HMG 4.7619
152 4ASJ N6A 4.77816
153 4FDV 0UK 4.78469
154 4QMN DB8 4.83871
155 6BMS PLM 4.84375
156 5ZBL AMP 4.92611
157 3WCA FPS 4.93151
158 1JX6 AI2 4.97076
159 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 5
160 3F8K COA 5
161 5IH9 6BF 5.07463
162 4F7E 0SH 5.10204
163 2RHQ GAX 5.10204
164 5KD8 TNR 5.18784
165 1TV5 A26 5.19187
166 5HZ5 65X 5.22388
167 5WX3 COA 5.30303
168 5UC9 MYR 5.30973
169 1OPK MYR 5.3125
170 3GST GPR 5.52995
171 5LPA ATP 5.55556
172 5LPA 71R 5.55556
173 3RY9 1CA 5.6
174 2LBD REA 5.61798
175 4HZ0 1AV 5.6338
176 5UR1 YY9 5.78778
177 5JKG 6LF 5.78778
178 1N4H REA 5.79151
179 5N7O 69Y 5.88235
180 5VRH OLC 5.9387
181 4ASE AV9 5.94901
182 2OO8 RAJ 5.99369
183 4L1F COS 6.00522
184 3IPQ 965 6.00707
185 1QIN GIP 6.01093
186 1NQ7 ARL 6.14754
187 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 6.14754
188 5J6D 6H5 6.18893
189 4GFD 0YB 6.34146
190 1FCZ 156 6.38298
191 2AEL SAZ 6.41711
192 2PJL 047 6.47773
193 2J1P GRG 6.48464
194 1R5L VIV 6.48855
195 6CAY ERG 6.50888
196 4WO4 JLS 6.53061
197 1DQE BOM 6.56934
198 4AG8 AXI 6.64557
199 3L1N PLM 6.70103
200 2GQS ADP 6.75105
201 2GQR ADP 6.75105
202 3TKY N7I 6.79348
203 4UCC ZKW 6.86695
204 5N5U AMP 7.00637
205 5N5U 7N8 7.00637
206 4JE7 BB2 7.1066
207 4L9I 8PR 7.14286
208 2QO4 CHD 7.14286
209 3B99 U51 7.15789
210 1W2D 4IP 7.16981
211 2HJ9 AI2 7.23982
212 3HY2 ATP 7.27273
213 3CYI ATP 7.27273
214 3KRO IPE 7.45763
215 3KRO DST 7.45763
216 2GMH UQ5 7.53425
217 1NRL SRL 7.59494
218 1XX4 BAM 7.66284
219 5AZC PGT 7.66667
220 6CB2 OLC 7.84983
221 3FAL LO2 7.85124
222 3FAL REA 7.85124
223 4F4S EFO 7.89474
224 3W54 RNB 7.90274
225 1OLM VTQ 7.94045
226 3NB0 G6P 7.96875
227 6A5Y 9CR 7.98319
228 1FM9 9CR 7.98319
229 4DXJ 0M9 8.01105
230 3PVT 3HC 8.10811
231 3D04 SAK 8.1761
232 4POJ 2VP 8.22511
233 2BCG GER 8.25243
234 4Q0A 4OA 8.27815
235 1W2Y DUN 8.29694
236 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 8.30325
237 5U98 1KX 8.30325
238 5LGA 6VH 8.33333
239 5E7V M7E 8.33333
240 1RQJ RIS 8.3612
241 4URN NOV 8.44444
242 6AYH C3G 8.45771
243 4IBF 1D5 8.52713
244 3KMZ EQO 8.64662
245 2OKL BB2 8.64865
246 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 8.69565
247 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 8.72727
248 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 8.72727
249 3D78 NBB 9.2437
250 3EWC MCF 9.43396
251 4LRJ ANP 9.46746
252 1LQY BB2 9.78261
253 2CNT COA 10
254 5HZ9 5M8 10.3704
255 5X80 SAL 10.625
256 3E3U NVC 10.6599
257 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 10.989
258 3KP6 SAL 11.2583
259 1FP1 HCC 11.828
260 6AYI C3G 12.5628
261 5K53 STE 12.5954
262 5K13 6Q7 13.0081
263 2WCJ M21 13.4752
264 1TW4 CHD 13.6
265 1DKF OLA 13.617
266 5CXI 5TW 13.7931
267 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 14.0496
268 2D5Z L35 14.3836
269 5D9J 0N8 14.4385
270 4RC8 STE 14.8649
271 5LX9 OLA 14.9837
272 5LWY OLA 15.7534
273 6H21 UD1 17.6812
274 4NG2 OHN 17.9348
275 5GPG RAP 17.9487
276 1VQ2 DDN 18.6528
277 1LEK GLU GLN TYR LYS PHE TYR SER VAL 19.1919
278 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 19.1919
279 3ZCB ATP 19.3548
280 3QKD HI0 19.8895
281 1RDT L79 21.7391
282 1ECM TSA 24.7706
283 4V2O CLQ 25.6098
284 3GN8 DEX 28.5714
285 1M2Z DEX 28.5714
286 4OGQ UMQ 29.0323
287 5NTW 98N 35
288 4P6X HCY 35.7143
289 2DYR PGV 36.7347
290 2DYS PGV 36.7347
291 5ZCO PEK 36.7347
292 5Z84 PEK 36.7347
293 2DYR PEK 36.7347
294 2DYS PEK 36.7347
295 5Z84 CHD 36.7347
296 5ZCO CHD 36.7347
297 1F7L COA 37.1901
298 5XPL 8C9 38.4615
299 1ZDT PEF 41.6667
Pocket No.: 2; Query (leader) PDB : 5FPN; Ligand: KYD; Similar sites found with APoc: 97
This union binding pocket(no: 2) in the query (biounit: 5fpn.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4M52 FAD 1.50215
2 1KY8 NAP 1.59681
3 2OI2 DP6 1.71233
4 3G9E RO7 2.21402
5 5HTX ADP 2.2779
6 1JUV NDP 2.59067
7 4EIL NDP 2.65018
8 3B6O TMP 2.83401
9 2Q0L FAD 2.89389
10 3LM9 ADP 2.98013
11 3CIP ATP 3.2
12 4A2A ATP 3.34129
13 4A2B AGS 3.34129
14 2E2P ADP 3.34448
15 3VET ADP 3.64583
16 3VET CP 3.64583
17 5G4J EXT 3.81166
18 2CJF RP4 3.82166
19 3VC1 GST 4.0625
20 4YDU ADP 4.21941
21 1TUK PGM 4.47761
22 3RGQ 5P5 4.48718
23 4UTG ANP 4.62428
24 1WVC CTP 4.6332
25 3WQT ANP 4.75207
26 3HDY FAD 4.78589
27 3HDY GDU 4.78589
28 4JD3 PLM 4.81586
29 4JD3 COA 4.81586
30 4BGB ADP 4.92308
31 4LH0 GLV 5
32 4YCA NDP 5.10204
33 6BQ6 TER 5.13595
34 1SAZ ACP 5.24934
35 4WOH 4NP 5.42169
36 3OID TCL 5.42636
37 4CBX ATP 5.51181
38 4CBU ATP 5.51181
39 5EOU ATP 5.64516
40 4OI4 ATP 5.96026
41 1ZHS NAG NAG BMA MAN MAN 6.19469
42 2V51 ATP 6.36605
43 4PKG ATP 6.36605
44 1SQK ADP 6.36605
45 4Z94 ATP 6.36605
46 4B1W ATP 6.38298
47 2D1K ATP 6.4
48 1KXP ATP 6.4
49 2A42 ATP 6.4
50 2FXU ATP 6.4
51 2A40 ATP 6.4
52 2A3Z ATP 6.4
53 5YPU ATP 6.52174
54 2I6A 5I5 6.66667
55 4EHU ANP 6.88406
56 1YAG ATP 7.2
57 3MN9 ATP 7.21925
58 3MN6 ATP 7.21925
59 1QX4 FAD 7.29927
60 4ZLU ADP 7.38255
61 4ZLU 4PW 7.38255
62 6BYM HC3 7.88177
63 4H03 LAR 7.89474
64 4H03 ATP 7.89474
65 1FM9 570 7.98319
66 2Q97 ATP 8.52713
67 3KMR EQN 8.64662
68 2DPY ADP 8.6758
69 3MN7 ATP 9.18367
70 1MZC FPP 9.68586
71 1MZC BNE 9.68586
72 2J4K U5P 9.73451
73 4PKI ATP 10.4938
74 5ZZB ATP 11.0294
75 2WME NAP 11.2245
76 5YEE ATP 11.7647
77 3U9Z ADP 12.069
78 4EFH ADP 12.1212
79 1G6O ADP 12.4242
80 1IYK MYA 13.2653
81 5LJW ANP 13.8329
82 3GON PMV 14.0299
83 3GUZ PAF 15.3409
84 4B1X ATP 15.625
85 3U4L ATP 15.7143
86 2PBD ATP 15.8273
87 2PAV ATP 15.8273
88 3NZW BOC TY5 ALA RE0 ABN 18.1102
89 4B1V ATP 18.75
90 4B1V LAB 18.75
91 3MN5 ATP 21.0526
92 3KIH GDL 23.7113
93 1N1D C2G 33.3333
94 4PL8 ATP 34.2466
95 3SJH LAR 37.037
96 3SJH ATP 37.037
97 2QXL ATP 47.1875
Pocket No.: 3; Query (leader) PDB : 5FPN; Ligand: KYD; Similar sites found with APoc: 15
This union binding pocket(no: 3) in the query (biounit: 5fpn.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1JP4 AMP 1.94805
2 4C2X NHW 1.95122
3 5MU6 KFK 2.04604
4 5MU6 MYA 2.04604
5 5TWO 7MV 2.20588
6 3NC9 TR3 2.23642
7 2QTR NXX 2.6455
8 6D6Y SAH 3.05927
9 5XJ8 NKO 3.48259
10 2QV7 ADP 3.56083
11 2YNC YNC 3.64583
12 1YP4 ADQ 3.7694
13 1IID NHM 3.79147
14 1VBJ NAP 4.98221
15 2F5Z FAD 29.6875
Pocket No.: 4; Query (leader) PDB : 5FPN; Ligand: KYD; Similar sites found with APoc: 21
This union binding pocket(no: 4) in the query (biounit: 5fpn.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4BXK 1IU 1.74881
2 3V49 PK0 2.25564
3 1U1I NAD 2.29592
4 1BUC CAA 2.34987
5 3G5N PB2 2.52101
6 2IYA ZIO 2.59434
7 3U2U UDP 3.80228
8 4ORM FMN 4.73815
9 4ORM 2V6 4.73815
10 4ORM ORO 4.73815
11 1T27 PCW 5.53506
12 1S14 NOV 5.6701
13 2HU5 GLY PHE 5.6701
14 4DM8 REA 5.99251
15 4DXJ IPE 8.01105
16 4M8E 29V 8.22511
17 2QCX PF1 8.74525
18 2NNQ T4B 14.5038
19 5LX9 OLB 14.9837
20 3G08 FEE 19.1919
21 3L0E G58 41.6667
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