Receptor
PDB id Resolution Class Description Source Keywords
6RC5 2.04 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEXE WITH AN ADENINE DERIVATIVE LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) TETRAMERIC NAD KINASE TRANSFERASE
Ref.: FROM SUBSTRATE TO FRAGMENTS TO INHIBITOR ACTIVEIN VIVOAGAINSTSTAPHYLOCOCCUS AUREUS. ACS INFECT DIS. V. 6 422 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:301;
 Invalid;
 none;
 submit data
192.124 C6 H8 O7 C(C(=...
JYB A:302;
 Valid;
 none;
 submit data
187.201 C9 H9 N5 CCn1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DHU 2.33 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEX WITH A NOVEL INHIBITOR LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) TETRAMERIC NAD KINASE TRANSFERASE
Ref.: 8-THIOALKYL-ADENOSINE DERIVATIVES INHIBIT LISTERIA MONOCYTOGENES NAD KINASE THROUGH A NOVEL BINDING MO EUR.J.MED.CHEM. V. 124 1041 2016
Members (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
70% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JYB; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 JYB 1 1
2 JXN 0.529412 0.854167
3 JY2 0.442623 0.875
4 JXW 0.428571 0.816327
5 JXZ 0.428571 0.714286
6 JXT 0.419355 0.803922
7 JXK 0.40678 0.709091
Similar Ligands (3D)
Ligand no: 1; Ligand: JYB; Similar ligands found: 556
No: Ligand Similarity coefficient
1 0XT 0.9530
2 1KP 0.9443
3 AJV 0.9432
4 0W8 0.9411
5 N8Y 0.9400
6 JU2 0.9320
7 JG8 0.9319
8 ES7 0.9298
9 DPT 0.9283
10 HBO 0.9283
11 SYV 0.9276
12 GLC 0.9276
13 KUF 0.9266
14 AZ9 0.9263
15 GCS 0.9241
16 KKN 0.9240
17 CWS 0.9240
18 4AA 0.9236
19 7B3 0.9234
20 GSY 0.9233
21 7W4 0.9221
22 0FN 0.9218
23 4MU 0.9216
24 KDV 0.9212
25 5WV 0.9210
26 QWN 0.9209
27 2HQ 0.9201
28 AJY 0.9201
29 BGC 0.9197
30 8W9 0.9193
31 GAL 0.9191
32 JND 0.9186
33 8ZE 0.9178
34 N2I 0.9174
35 15E 0.9173
36 G3F 0.9169
37 MUA 0.9166
38 0P6 0.9165
39 QXW 0.9159
40 GXY 0.9155
41 1IT 0.9139
42 2AK 0.9133
43 4Z4 0.9132
44 PH2 0.9127
45 KJU 0.9127
46 3Z8 0.9126
47 ZYR 0.9124
48 CK2 0.9122
49 9CA 0.9120
50 9FL 0.9119
51 PXM 0.9115
52 1P7 0.9111
53 TOF 0.9102
54 8WT 0.9098
55 6QF 0.9097
56 4YO 0.9088
57 LT2 0.9084
58 4JQ 0.9083
59 KT7 0.9082
60 ES5 0.9081
61 DMD 0.9078
62 MQN 0.9076
63 JB5 0.9070
64 0FK 0.9069
65 R9Y 0.9067
66 UFO 0.9067
67 8HC 0.9066
68 68A 0.9066
69 G3E 0.9065
70 SE2 0.9063
71 D48 0.9061
72 L22 0.9059
73 8CM 0.9059
74 DIU 0.9058
75 9FE 0.9057
76 A29 0.9056
77 5B1 0.9056
78 GNM 0.9052
79 HA5 0.9051
80 TWO 0.9048
81 LGC 0.9046
82 ANC 0.9045
83 3PF 0.9044
84 J9T 0.9044
85 P9P 0.9043
86 XHP 0.9043
87 7W1 0.9043
88 FLV 0.9042
89 2EC 0.9037
90 SRO 0.9037
91 2BG 0.9036
92 J5I 0.9035
93 5GU 0.9034
94 PXL 0.9034
95 AN3 0.9032
96 1A7 0.9030
97 QX4 0.9023
98 CHB 0.9023
99 4V2 0.9021
100 SKA 0.9018
101 3R4 0.9017
102 7ME 0.9016
103 OTW 0.9015
104 DHQ 0.9013
105 QWW 0.9013
106 E35 0.9012
107 86J 0.9012
108 I3A 0.9012
109 QX2 0.9011
110 DQU 0.9009
111 0FO 0.9008
112 091 0.9007
113 9TW 0.9006
114 M6N 0.9004
115 BPU 0.9002
116 MYJ 0.9001
117 ESI 0.8997
118 B62 0.8997
119 4KL 0.8995
120 3HM 0.8994
121 KTW 0.8994
122 GF4 0.8992
123 RZH 0.8990
124 KW8 0.8989
125 6RQ 0.8984
126 JP2 0.8981
127 0N7 0.8981
128 226 0.8980
129 9LI 0.8979
130 44W 0.8979
131 TSS 0.8975
132 7B4 0.8975
133 3J8 0.8973
134 1M2 0.8973
135 DNF 0.8973
136 G12 0.8971
137 BDP 0.8971
138 JLZ 0.8968
139 TTL 0.8964
140 HQD 0.8963
141 2HO 0.8961
142 2K8 0.8961
143 V1T 0.8960
144 GCW 0.8960
145 APZ 0.8956
146 HRM 0.8956
147 X8D 0.8955
148 BIK 0.8955
149 SLS 0.8954
150 FHB 0.8954
151 X0U 0.8953
152 BPY 0.8952
153 9R5 0.8951
154 XM5 0.8947
155 C2U 0.8947
156 K3Q 0.8946
157 44V 0.8946
158 F2W 0.8946
159 JYT 0.8945
160 39O 0.8944
161 4JT 0.8944
162 HHR 0.8941
163 6BL 0.8941
164 M0Q 0.8939
165 LNR 0.8937
166 MIG 0.8937
167 M5N 0.8935
168 27B 0.8935
169 ROI 0.8934
170 XIY 0.8932
171 2D0 0.8932
172 C9E 0.8932
173 DX1 0.8931
174 30G 0.8931
175 INO 0.8930
176 URC 0.8929
177 XDE 0.8927
178 Q88 0.8927
179 DX3 0.8925
180 AZ8 0.8925
181 069 0.8923
182 QQQ 0.8923
183 7ZE 0.8921
184 5RO 0.8921
185 F9Y 0.8921
186 ADZ 0.8920
187 8IG 0.8920
188 FSW 0.8920
189 7MX 0.8917
190 CFF 0.8915
191 R8V 0.8914
192 8TX 0.8914
193 PRF 0.8913
194 Q77 0.8908
195 I6G 0.8907
196 GTQ 0.8906
197 1U6 0.8906
198 NBV 0.8904
199 CWM 0.8902
200 HHS 0.8902
201 GT0 0.8902
202 E1T 0.8901
203 VNL 0.8899
204 BHO 0.8898
205 HQJ 0.8897
206 32X 0.8897
207 EVA 0.8897
208 4VS 0.8896
209 5XC 0.8895
210 6CS 0.8893
211 PEY 0.8893
212 3R6 0.8889
213 28N 0.8889
214 94W 0.8887
215 GO0 0.8886
216 5OB 0.8884
217 SYA 0.8883
218 4A5 0.8882
219 3DO 0.8882
220 5QY 0.8880
221 54G 0.8880
222 4ME 0.8880
223 KMY 0.8878
224 BSP 0.8877
225 4AN 0.8874
226 SXS 0.8873
227 D07 0.8872
228 PQK 0.8872
229 BEA 0.8871
230 X11 0.8870
231 NNO 0.8869
232 GO1 0.8868
233 BZ3 0.8867
234 5RN 0.8867
235 1P8 0.8865
236 PMA 0.8865
237 3IT 0.8864
238 K2T 0.8861
239 PQ0 0.8859
240 INE 0.8858
241 FOT 0.8854
242 MR1 0.8853
243 NAG 0.8852
244 CTL 0.8852
245 CLW 0.8852
246 L5V 0.8848
247 WSD 0.8846
248 NTZ 0.8845
249 A7W 0.8844
250 W81 0.8843
251 BTY 0.8843
252 TGX 0.8843
253 4AV 0.8843
254 ES0 0.8843
255 CLZ 0.8842
256 KJY 0.8839
257 9TZ 0.8839
258 06B 0.8838
259 FBB 0.8838
260 B55 0.8838
261 64C 0.8837
262 AA 0.8837
263 KYA 0.8835
264 J6W 0.8834
265 OVM 0.8834
266 36R 0.8833
267 4RU 0.8833
268 CNI 0.8832
269 SHG 0.8832
270 SHA 0.8831
271 ES2 0.8830
272 E7Z 0.8829
273 F4E 0.8829
274 5M0 0.8829
275 3WA 0.8829
276 CTS 0.8829
277 6VD 0.8828
278 3HA 0.8828
279 7VS 0.8825
280 VGD 0.8824
281 GCB 0.8824
282 ASC 0.8821
283 TT4 0.8820
284 DBH 0.8819
285 GCU 0.8818
286 5VL 0.8818
287 IJZ 0.8817
288 1QP 0.8816
289 UNC 0.8816
290 CH9 0.8813
291 L99 0.8812
292 HKD 0.8811
293 2O6 0.8809
294 3QV 0.8809
295 6NT 0.8809
296 0W1 0.8808
297 NIZ 0.8806
298 JTA 0.8805
299 M1H 0.8805
300 B60 0.8805
301 GNV 0.8804
302 BZJ 0.8803
303 SOR 0.8803
304 5NI 0.8802
305 FDR 0.8802
306 5IQ 0.8802
307 JA8 0.8801
308 X0W 0.8800
309 JF1 0.8797
310 EGR 0.8797
311 344 0.8796
312 3NY 0.8796
313 92P 0.8795
314 3A9 0.8794
315 5SG 0.8793
316 ISZ 0.8792
317 KTJ 0.8791
318 B5D 0.8789
319 9MG 0.8789
320 N5J 0.8787
321 5RG 0.8787
322 1F1 0.8786
323 H05 0.8785
324 20J 0.8785
325 5QX 0.8784
326 0HN 0.8784
327 0HO 0.8784
328 EXD 0.8779
329 CB1 0.8776
330 5WX 0.8768
331 B56 0.8767
332 8WO 0.8764
333 G1O 0.8763
334 42A 0.8762
335 F4Z 0.8761
336 2CQ 0.8758
337 OW4 0.8758
338 JAE 0.8757
339 VK3 0.8756
340 5MK 0.8756
341 X09 0.8755
342 TXW 0.8754
343 JAW 0.8754
344 DNC 0.8753
345 FXH 0.8752
346 COU 0.8751
347 ESP 0.8751
348 12Q 0.8749
349 IV2 0.8749
350 ET2 0.8747
351 BZE 0.8747
352 7HQ 0.8746
353 7I2 0.8743
354 2ZQ 0.8742
355 M4E 0.8741
356 K17 0.8740
357 CFI 0.8739
358 KWH 0.8739
359 5VM 0.8739
360 M1Q 0.8738
361 75K 0.8737
362 NBG 0.8737
363 4TU 0.8736
364 ALL 0.8736
365 DBX 0.8735
366 NCT 0.8735
367 TEP 0.8735
368 EA1 0.8734
369 3ID 0.8733
370 3M0 0.8733
371 2ZM 0.8733
372 THA 0.8732
373 6ME 0.8732
374 8XL 0.8731
375 J9W 0.8731
376 M1Z 0.8731
377 XAZ 0.8730
378 QSB 0.8730
379 FHC 0.8729
380 FRU 0.8728
381 MAQ 0.8727
382 CKX 0.8726
383 6NI 0.8725
384 WOO 0.8724
385 1Z6 0.8724
386 9PY 0.8723
387 C2Y 0.8721
388 MRW 0.8721
389 6X9 0.8721
390 8OZ 0.8720
391 PJW 0.8719
392 Q7A 0.8718
393 PHH 0.8718
394 JUG 0.8717
395 GDE 0.8717
396 PDC 0.8715
397 DIN 0.8714
398 IAC 0.8712
399 4HC 0.8708
400 JB8 0.8707
401 FUD 0.8706
402 45C 0.8704
403 ZME 0.8704
404 JF2 0.8704
405 2JK 0.8701
406 D3G 0.8700
407 CCV 0.8700
408 ESX 0.8700
409 1L5 0.8700
410 DEE 0.8699
411 AMR 0.8699
412 BNL 0.8697
413 MO8 0.8697
414 TC7 0.8696
415 KJH 0.8696
416 Q6T 0.8695
417 3MG 0.8693
418 SX1 0.8692
419 0F9 0.8691
420 BZX 0.8691
421 FDB 0.8690
422 ICB 0.8689
423 N0Z 0.8689
424 0LH 0.8689
425 BNT 0.8689
426 11S 0.8688
427 173 0.8688
428 FE DB1 0.8687
429 3F0 0.8684
430 AH9 0.8683
431 GO2 0.8683
432 ORO 0.8683
433 9KT 0.8682
434 JBK 0.8682
435 FK1 0.8681
436 ZVO 0.8681
437 Q24 0.8680
438 2FQ 0.8680
439 RM1 0.8679
440 HQT 0.8679
441 E3D 0.8678
442 82I 0.8678
443 GHM 0.8677
444 M0W 0.8677
445 H4N 0.8676
446 APS 0.8675
447 BZ2 0.8674
448 LOG 0.8672
449 LZ2 0.8672
450 97T 0.8669
451 IHB 0.8668
452 ODO 0.8668
453 GC2 0.8665
454 DHK 0.8665
455 JBQ 0.8664
456 582 0.8664
457 5NE 0.8662
458 AVR 0.8662
459 24W 0.8660
460 H33 0.8659
461 NDM 0.8658
462 795 0.8658
463 VXX 0.8657
464 XQK 0.8657
465 NLA 0.8657
466 2MI 0.8656
467 SNG 0.8656
468 E5X 0.8655
469 PD2 0.8654
470 GNY 0.8654
471 150 0.8653
472 PZI 0.8653
473 8NY 0.8653
474 GVG 0.8653
475 4P5 0.8652
476 6KT 0.8652
477 OVP 0.8651
478 HDH 0.8651
479 QSH 0.8649
480 H7Y 0.8648
481 K32 0.8648
482 SWA 0.8647
483 8NB 0.8646
484 GDL 0.8646
485 FF2 0.8643
486 SKF 0.8642
487 PNZ 0.8642
488 BGU 0.8642
489 M78 0.8641
490 6FZ 0.8641
491 2MN 0.8641
492 4M0 0.8636
493 JDN 0.8636
494 J9Q 0.8635
495 ABI 0.8634
496 4NC 0.8632
497 S60 0.8631
498 ISN 0.8630
499 A7H 0.8628
500 BHA 0.8627
501 ANN 0.8626
502 M1E 0.8624
503 E1K 0.8622
504 MWP 0.8622
505 PE0 0.8621
506 428 0.8620
507 209 0.8619
508 15N 0.8619
509 5WU 0.8618
510 DOB 0.8616
511 HHA 0.8616
512 UEG 0.8615
513 AJ2 0.8613
514 RD4 0.8611
515 Q71 0.8609
516 OW7 0.8608
517 MPV 0.8606
518 M5K 0.8601
519 OXC 0.8600
520 UNJ 0.8598
521 6R8 0.8598
522 NDH 0.8597
523 55D 0.8594
524 GM7 0.8592
525 CSN 0.8590
526 4BY 0.8590
527 0JD 0.8590
528 ACE TRP 0.8588
529 N1E 0.8587
530 IWT 0.8586
531 LDP 0.8584
532 6E8 0.8583
533 5Q0 0.8581
534 NID 0.8578
535 ONR 0.8577
536 RPQ 0.8575
537 GZL 0.8572
538 DRL 0.8569
539 9ZE 0.8568
540 42C 0.8567
541 8H8 0.8567
542 7NI 0.8565
543 64E 0.8560
544 2KA 0.8558
545 5WY 0.8557
546 F31 0.8556
547 GAB 0.8554
548 SKM 0.8553
549 ICO 0.8551
550 MXD 0.8551
551 HJ7 0.8546
552 WS7 0.8546
553 QAS 0.8537
554 H5B 0.8534
555 PBA 0.8514
556 R20 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5dhu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5dhu.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
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