Receptor
PDB id Resolution Class Description Source Keywords
6RC4 2.28 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEXE WITH AN ADENINE DERIVATIVE LISTERIA MONOCYTOGENES 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
JXZ A:302;
 Valid;
 none;
 submit data
193.206 C8 H11 N5 O Cc1nc...
CIT A:301;
 Invalid;
 none;
 submit data
192.124 C6 H8 O7 C(C(=...
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: JXZ; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 JXZ 1 1
2 JXW 0.73913 0.8
3 JY2 0.62963 0.785714
4 JYT 0.45614 0.803279
5 JXN 0.444444 0.677966
6 JYW 0.440678 0.790323
7 JYB 0.428571 0.714286
8 JXK 0.40678 0.733333
Similar Ligands (3D)
Ligand no: 1; Ligand: JXZ; Similar ligands found: 534
No: Ligand Similarity coefficient
1 GSY 0.9526
2 2EC 0.9523
3 TSS 0.9520
4 0W8 0.9512
5 0LH 0.9482
6 APS 0.9453
7 1KP 0.9450
8 5WU 0.9445
9 SRO 0.9444
10 ARP 0.9435
11 RZH 0.9406
12 PRF 0.9394
13 091 0.9360
14 E35 0.9341
15 PH2 0.9322
16 9LI 0.9314
17 7VS 0.9297
18 TSR 0.9297
19 NVU 0.9281
20 FXH 0.9280
21 LT2 0.9279
22 GXY 0.9276
23 2K8 0.9275
24 5NS 0.9272
25 EV3 0.9266
26 PQ0 0.9262
27 PQK 0.9261
28 MQB 0.9260
29 BCU 0.9253
30 EGR 0.9248
31 I3A 0.9246
32 IAC 0.9231
33 8XL 0.9230
34 LZ2 0.9227
35 44V 0.9223
36 JYK 0.9220
37 9R5 0.9206
38 KJY 0.9200
39 HHR 0.9199
40 57O 0.9198
41 CTS 0.9194
42 5RO 0.9189
43 KW8 0.9184
44 BGC 0.9182
45 9FL 0.9178
46 PQZ 0.9170
47 LGC 0.9160
48 PFB 0.9160
49 7B4 0.9159
50 3Z8 0.9159
51 E7Z 0.9155
52 QX4 0.9152
53 LNR 0.9150
54 MIG 0.9139
55 KBG 0.9137
56 0P6 0.9137
57 KWH 0.9132
58 GCB 0.9130
59 E7R 0.9127
60 XDE 0.9127
61 GOE 0.9124
62 61M 0.9124
63 AJV 0.9123
64 NLA 0.9122
65 ICO 0.9119
66 7ZE 0.9119
67 RM1 0.9118
68 5NE 0.9116
69 3DO 0.9109
70 GAL 0.9109
71 JXT 0.9106
72 PXL 0.9100
73 B62 0.9099
74 M5N 0.9099
75 2KA 0.9096
76 GLC 0.9094
77 N2I 0.9093
78 ALL 0.9090
79 GCS 0.9090
80 M0Q 0.9082
81 5WY 0.9078
82 DQU 0.9077
83 INE 0.9075
84 NAG 0.9072
85 LDP 0.9072
86 1U6 0.9068
87 2ZQ 0.9066
88 GT0 0.9062
89 L99 0.9059
90 AC2 0.9054
91 GCV 0.9052
92 5RN 0.9051
93 8WO 0.9049
94 C2Y 0.9047
95 6ME 0.9040
96 0XT 0.9040
97 9BF 0.9039
98 ASC 0.9038
99 IBM 0.9035
100 OIA 0.9034
101 DBJ 0.9034
102 BDP 0.9032
103 EOL 0.9030
104 GCU 0.9027
105 OMD 0.9026
106 MHK 0.9023
107 3PF 0.9023
108 M3Q 0.9021
109 DX3 0.9018
110 7HQ 0.9018
111 WOO 0.9016
112 EVA 0.9014
113 RJY 0.9013
114 LSA 0.9013
115 OA3 0.9006
116 DHQ 0.9006
117 7B3 0.9005
118 4TU 0.9004
119 J9T 0.9002
120 IOS 0.9001
121 4AV 0.8999
122 2C2 0.8997
123 MUA 0.8994
124 32X 0.8992
125 KP6 0.8990
126 9UG 0.8988
127 M1Q 0.8987
128 9PY 0.8987
129 HKD 0.8986
130 Q7A 0.8985
131 G3F 0.8980
132 3HA 0.8977
133 3GQ 0.8977
134 APG 0.8973
135 TVP 0.8969
136 H7Y 0.8967
137 GC2 0.8967
138 DBH 0.8964
139 MO8 0.8963
140 069 0.8961
141 9RW 0.8959
142 GO0 0.8957
143 NFM 0.8957
144 8GK 0.8951
145 BNT 0.8951
146 W81 0.8950
147 C2U 0.8950
148 TTY 0.8946
149 2LY 0.8945
150 HHT 0.8945
151 IOP 0.8942
152 PVQ 0.8942
153 ZON 0.8941
154 5OB 0.8941
155 KKN 0.8938
156 42J 0.8935
157 15E 0.8935
158 BMA 0.8930
159 R9Y 0.8927
160 MAG 0.8924
161 CPW 0.8923
162 23J 0.8921
163 M1H 0.8919
164 C9E 0.8919
165 Q6T 0.8919
166 4HC 0.8919
167 FOT 0.8919
168 NTZ 0.8918
169 CGW 0.8916
170 BM3 0.8915
171 IJZ 0.8914
172 4VY 0.8912
173 DTE 0.8912
174 NGO 0.8912
175 ROI 0.8912
176 28N 0.8912
177 XM5 0.8911
178 CFI 0.8909
179 ADZ 0.8909
180 8RK 0.8907
181 MR1 0.8906
182 6M4 0.8902
183 SXS 0.8902
184 FSW 0.8901
185 LOG 0.8901
186 SHG 0.8901
187 7ZC 0.8900
188 GO1 0.8898
189 KYA 0.8897
190 8OZ 0.8896
191 DIE 0.8896
192 AEH 0.8892
193 GM7 0.8891
194 2MN 0.8891
195 6E8 0.8888
196 9MG 0.8887
197 DHY 0.8886
198 VOH 0.8886
199 XEN 0.8885
200 OW7 0.8885
201 MNP 0.8883
202 5QY 0.8882
203 AZ9 0.8881
204 FWD 0.8878
205 7FF 0.8877
206 TRP 0.8874
207 42A 0.8873
208 4A5 0.8871
209 X09 0.8870
210 3R6 0.8869
211 3M0 0.8868
212 HXX 0.8867
213 KUF 0.8864
214 GCW 0.8864
215 5XC 0.8863
216 IPB 0.8863
217 HMU 0.8863
218 UFO 0.8863
219 CTE 0.8863
220 F95 0.8862
221 F52 0.8862
222 JHY 0.8859
223 KWQ 0.8859
224 HQJ 0.8859
225 GF4 0.8857
226 F5C 0.8856
227 SYV 0.8855
228 DMD 0.8852
229 URC 0.8852
230 SBK 0.8851
231 2ZM 0.8851
232 8S0 0.8850
233 QWN 0.8849
234 7VJ 0.8847
235 36M 0.8847
236 EJZ 0.8846
237 HHA 0.8844
238 4JQ 0.8843
239 PVK 0.8841
240 OUB 0.8841
241 44W 0.8840
242 GJS 0.8837
243 BZ3 0.8837
244 GLT 0.8836
245 0N7 0.8836
246 BHO 0.8835
247 67Y 0.8834
248 SR4 0.8833
249 2SX 0.8830
250 MWP 0.8829
251 JU2 0.8828
252 42C 0.8828
253 0HN 0.8827
254 HQ9 0.8827
255 OVP 0.8826
256 948 0.8823
257 2O6 0.8823
258 UNC 0.8822
259 CFF 0.8821
260 PDC 0.8821
261 30G 0.8820
262 67X 0.8820
263 DTR 0.8819
264 AZ8 0.8819
265 MXN 0.8819
266 5QX 0.8819
267 JTH 0.8819
268 TTL 0.8818
269 GOX 0.8818
270 NPA 0.8818
271 NBG 0.8817
272 HA5 0.8816
273 XHP 0.8816
274 R8V 0.8816
275 LYL 0.8815
276 NGW 0.8814
277 NGT 0.8814
278 AVR 0.8812
279 B53 0.8811
280 HMH 0.8811
281 NDG 0.8811
282 QXW 0.8810
283 2BG 0.8810
284 6NT 0.8806
285 9KH 0.8806
286 8Y7 0.8806
287 B57 0.8805
288 TOF 0.8803
289 J9W 0.8802
290 ZYR 0.8802
291 Q77 0.8802
292 3F0 0.8801
293 AKH 0.8798
294 TWO 0.8796
295 OTD 0.8794
296 SE2 0.8792
297 ISN 0.8790
298 4VS 0.8790
299 G3E 0.8789
300 N8Y 0.8789
301 25W 0.8787
302 DEW 0.8784
303 MS0 0.8784
304 JDN 0.8783
305 PXM 0.8780
306 NID 0.8777
307 5OF 0.8777
308 3A9 0.8777
309 1P7 0.8776
310 3N1 0.8776
311 GTQ 0.8775
312 MVL 0.8775
313 JG8 0.8773
314 FYU 0.8773
315 2CL 0.8773
316 MT5 0.8772
317 DOR 0.8770
318 DOB 0.8769
319 A29 0.8768
320 LZM 0.8768
321 GZL 0.8767
322 EPR 0.8767
323 I6G 0.8767
324 JF2 0.8767
325 24B 0.8766
326 3N4 0.8764
327 VNL 0.8764
328 CWS 0.8762
329 OHP 0.8761
330 DHB 0.8760
331 9F8 0.8759
332 UEG 0.8759
333 GDL 0.8759
334 8W9 0.8758
335 5NI 0.8758
336 YKG 0.8758
337 790 0.8758
338 EYY 0.8758
339 EXR 0.8757
340 NSP 0.8757
341 CSN 0.8755
342 JB8 0.8755
343 D48 0.8753
344 64E 0.8752
345 M5H 0.8750
346 ES7 0.8750
347 1LQ 0.8750
348 LTM 0.8749
349 CWD 0.8749
350 N5J 0.8748
351 2J2 0.8748
352 PYQ 0.8747
353 HPT 0.8745
354 BWD 0.8743
355 O72 0.8743
356 1SQ 0.8743
357 MVN 0.8740
358 6M9 0.8740
359 06B 0.8739
360 XIY 0.8739
361 24W 0.8738
362 B60 0.8738
363 PA1 0.8737
364 I2E 0.8737
365 1LM 0.8736
366 2A9 0.8736
367 GTZ 0.8736
368 ES1 0.8735
369 2FQ 0.8734
370 3DM 0.8734
371 20J 0.8734
372 MAQ 0.8733
373 M3S 0.8732
374 HNQ 0.8729
375 CN0 0.8728
376 5B1 0.8727
377 EUG 0.8727
378 KJU 0.8725
379 9CA 0.8725
380 GOJ 0.8723
381 GIM 0.8723
382 2HQ 0.8722
383 V55 0.8721
384 DNF 0.8720
385 QMS 0.8717
386 1NP 0.8715
387 4ME 0.8713
388 Q24 0.8711
389 J5I 0.8710
390 GTV 0.8710
391 PE0 0.8708
392 MAN 0.8708
393 SNG 0.8705
394 SWA 0.8703
395 4NC 0.8703
396 86J 0.8700
397 92P 0.8700
398 0J5 0.8700
399 ISZ 0.8696
400 R9S 0.8695
401 AJY 0.8695
402 L1Q 0.8694
403 6X9 0.8693
404 XXP 0.8691
405 TGX 0.8691
406 RH1 0.8690
407 1LN 0.8690
408 WS7 0.8689
409 O2A 0.8689
410 TEP 0.8688
411 94B 0.8688
412 NOJ 0.8687
413 IWD 0.8687
414 5CU 0.8686
415 HLZ 0.8685
416 3MG 0.8685
417 HQD 0.8679
418 JBH 0.8679
419 JB5 0.8679
420 8XQ 0.8679
421 3C4 0.8678
422 M6N 0.8676
423 KJ5 0.8676
424 MQG 0.8675
425 6HO 0.8674
426 K68 0.8673
427 SJ5 0.8671
428 4YS 0.8670
429 JPZ 0.8670
430 PEY 0.8669
431 BHA 0.8669
432 IFL 0.8669
433 NGA 0.8669
434 5Q0 0.8666
435 GC3 0.8665
436 M0W 0.8663
437 LTN 0.8661
438 G5V 0.8659
439 G2F 0.8659
440 8CM 0.8658
441 4XH 0.8658
442 QM1 0.8658
443 5RG 0.8658
444 54G 0.8658
445 3RI 0.8656
446 4B0 0.8656
447 5IQ 0.8656
448 G1O 0.8655
449 IPD 0.8654
450 D3M 0.8653
451 SLC 0.8652
452 96Z 0.8652
453 HQY 0.8652
454 4Z4 0.8652
455 3ID 0.8651
456 SVD 0.8650
457 PFL 0.8650
458 M5K 0.8648
459 BHQ 0.8648
460 3WA 0.8646
461 HH8 0.8646
462 5SG 0.8646
463 BQ2 0.8644
464 GZQ 0.8644
465 RPQ 0.8643
466 TT4 0.8641
467 DIN 0.8641
468 LCN 0.8640
469 CXP 0.8639
470 X0V 0.8638
471 9ZE 0.8635
472 3BU 0.8633
473 1IT 0.8632
474 2AK 0.8629
475 ALE 0.8628
476 GLA 0.8628
477 AX3 0.8628
478 JUG 0.8626
479 FA1 0.8625
480 DHK 0.8625
481 ZVO 0.8624
482 QBK 0.8622
483 EKZ 0.8621
484 H05 0.8620
485 AFR 0.8618
486 CBF 0.8618
487 GLO 0.8617
488 GLF 0.8616
489 6DP 0.8616
490 6BL 0.8615
491 AEZ 0.8614
492 JBK 0.8612
493 Q88 0.8609
494 AJ2 0.8609
495 FP1 0.8607
496 4SX 0.8605
497 2CQ 0.8603
498 HJP 0.8603
499 XQ0 0.8600
500 L46 0.8600
501 D07 0.8599
502 FBG 0.8598
503 NCT 0.8597
504 KT7 0.8593
505 39A 0.8592
506 I59 0.8592
507 Q71 0.8590
508 Q02 0.8589
509 SYG 0.8589
510 NOY 0.8581
511 0TU 0.8579
512 8G0 0.8576
513 PHH 0.8576
514 XCZ 0.8576
515 8U3 0.8575
516 JZ4 0.8568
517 MQN 0.8565
518 5M0 0.8562
519 53C 0.8559
520 MNS 0.8558
521 E1T 0.8556
522 A09 0.8556
523 7ME 0.8554
524 F5B 0.8553
525 XXG 0.8549
526 GUN 0.8545
527 S8A 0.8544
528 F05 0.8543
529 YPN 0.8542
530 2UD 0.8538
531 BSX 0.8530
532 PRZ 0.8529
533 GV9 0.8514
534 LIP 0.8513
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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