Receptor
PDB id Resolution Class Description Source Keywords
6RBX 2.47 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
CIT A:302;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
JYT A:301;
Valid;
none;
submit data
272.102 C8 H10 Br N5 O c1nc(...
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: JYT; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 JYT 1 1
2 JYW 0.833333 0.949153
3 JXK 0.755102 0.894737
4 JXT 0.685185 0.79661
5 JYE 0.649123 0.746032
6 JXB 0.627119 0.734375
7 JXN 0.588235 0.745763
8 JYK 0.586207 0.730159
9 JXZ 0.45614 0.803279
10 JXW 0.40678 0.688525
11 JY2 0.4 0.677419
Similar Ligands (3D)
Ligand no: 1; Ligand: JYT; Similar ligands found: 334
No: Ligand Similarity coefficient
1 GSY 0.9438
2 EV3 0.9388
3 TSR 0.9342
4 0LH 0.9335
5 TSS 0.9332
6 APS 0.9330
7 IAC 0.9297
8 AC2 0.9275
9 NVU 0.9266
10 ARP 0.9262
11 5WU 0.9262
12 SRO 0.9256
13 IOP 0.9245
14 TRP 0.9226
15 2K8 0.9214
16 9BF 0.9212
17 LZB 0.9206
18 PQZ 0.9197
19 DTE 0.9195
20 BK9 0.9182
21 EV2 0.9179
22 RZH 0.9175
23 KF5 0.9174
24 ZZZ 0.9161
25 X04 0.9158
26 NLA 0.9151
27 PH2 0.9143
28 LTN 0.9143
29 FXH 0.9134
30 4OG 0.9130
31 7MX 0.9129
32 CTE 0.9124
33 091 0.9109
34 DTR 0.9108
35 5NS 0.9107
36 57O 0.9105
37 9LI 0.9102
38 CIY 0.9095
39 NFM 0.9092
40 SBK 0.9086
41 F52 0.9086
42 OIA 0.9084
43 6VD 0.9075
44 ONZ 0.9068
45 CX4 0.9057
46 2EC 0.9052
47 GC2 0.9051
48 96Z 0.9051
49 4Z9 0.9049
50 1QP 0.9048
51 M3Q 0.9047
52 IOS 0.9042
53 MQB 0.9041
54 HHR 0.9040
55 5V7 0.9034
56 3IL 0.9030
57 I2E 0.9030
58 8Y7 0.9027
59 8GK 0.9027
60 E7R 0.9027
61 96R 0.9027
62 2SX 0.9026
63 FWD 0.9022
64 KWH 0.9018
65 2LY 0.9012
66 SYE 0.9003
67 JHY 0.9003
68 MFZ 0.9001
69 8RK 0.9000
70 LZ2 0.8995
71 22L 0.8991
72 PQ0 0.8986
73 MD6 0.8985
74 ALN 0.8984
75 9F8 0.8977
76 QMS 0.8975
77 NPL 0.8974
78 IBM 0.8973
79 YKG 0.8968
80 NWD 0.8963
81 0W8 0.8962
82 PRF 0.8959
83 PVQ 0.8958
84 NBV 0.8955
85 CWD 0.8952
86 9KZ 0.8952
87 PVK 0.8952
88 OUB 0.8952
89 S0G 0.8952
90 LOG 0.8951
91 C0W 0.8948
92 NAG 0.8948
93 GZV 0.8946
94 HPT 0.8946
95 5NE 0.8945
96 JYB 0.8945
97 6HP 0.8943
98 EY7 0.8940
99 DHC 0.8940
100 ZON 0.8938
101 MS0 0.8938
102 PMP 0.8938
103 LTM 0.8937
104 EGR 0.8935
105 KP2 0.8931
106 K82 0.8929
107 FT6 0.8929
108 X0T 0.8928
109 QBM 0.8928
110 CGW 0.8928
111 BWD 0.8923
112 KYA 0.8922
113 AMR 0.8921
114 B0K 0.8919
115 N7I 0.8919
116 ICO 0.8918
117 5WN 0.8918
118 CPW 0.8915
119 92O 0.8915
120 C2Y 0.8914
121 E35 0.8913
122 F5C 0.8912
123 67Y 0.8911
124 92P 0.8910
125 1KP 0.8910
126 LDP 0.8909
127 GTV 0.8905
128 982 0.8901
129 KW8 0.8900
130 B41 0.8897
131 G6P 0.8889
132 52F 0.8887
133 H7Y 0.8886
134 3IB 0.8884
135 XEN 0.8881
136 3VX 0.8880
137 N2I 0.8880
138 2UD 0.8879
139 EXR 0.8878
140 790 0.8878
141 B56 0.8878
142 B5A 0.8875
143 ITW 0.8873
144 SJK 0.8870
145 78U 0.8868
146 GXY 0.8867
147 ALE 0.8867
148 GO0 0.8859
149 5OO 0.8858
150 F95 0.8856
151 GDL 0.8856
152 L07 0.8855
153 327 0.8854
154 3N1 0.8851
155 A0O 0.8848
156 JF2 0.8848
157 22T 0.8847
158 EXL 0.8845
159 IWD 0.8844
160 EYA 0.8844
161 HBI 0.8843
162 3XH 0.8842
163 DHY 0.8841
164 M5H 0.8840
165 LP8 0.8840
166 FLV 0.8836
167 4B0 0.8835
168 HHS 0.8834
169 MAG 0.8832
170 FER 0.8831
171 MIG 0.8830
172 B61 0.8829
173 2GQ 0.8829
174 OW7 0.8827
175 KWQ 0.8826
176 PLP 0.8826
177 RVE 0.8825
178 NAL 0.8822
179 54X 0.8821
180 H4B 0.8817
181 N1E 0.8817
182 I3A 0.8816
183 ASE 0.8814
184 5RN 0.8814
185 GO8 0.8813
186 PQK 0.8812
187 9UL 0.8811
188 BY5 0.8810
189 S7G 0.8810
190 CG 0.8808
191 64E 0.8807
192 CFA 0.8804
193 GO2 0.8803
194 ODO 0.8798
195 BG6 0.8798
196 XM5 0.8797
197 3SU 0.8796
198 GO1 0.8793
199 BIO 0.8793
200 GOE 0.8793
201 P9T 0.8791
202 D8Q 0.8785
203 JXQ 0.8784
204 89J 0.8782
205 E1P 0.8782
206 7ZC 0.8780
207 7AP 0.8776
208 NQH 0.8775
209 TCR 0.8775
210 C9E 0.8768
211 4BX 0.8766
212 CUH 0.8765
213 9H2 0.8763
214 1Q4 0.8762
215 30G 0.8758
216 TXW 0.8754
217 42J 0.8749
218 MMS 0.8747
219 N8Y 0.8739
220 EYY 0.8737
221 AVR 0.8737
222 3RI 0.8736
223 CSN 0.8735
224 HWH 0.8734
225 28N 0.8734
226 7PJ 0.8733
227 4KL 0.8732
228 PMM 0.8730
229 IPD 0.8730
230 M78 0.8728
231 8HG 0.8728
232 ZSP 0.8725
233 GT0 0.8724
234 TWB 0.8723
235 I4D 0.8722
236 PLR 0.8719
237 6N4 0.8719
238 LT2 0.8717
239 RD4 0.8714
240 F06 0.8712
241 QH3 0.8712
242 JAK 0.8711
243 BZ3 0.8709
244 NBG 0.8708
245 CG8 0.8708
246 NPA 0.8705
247 MQG 0.8704
248 3N4 0.8704
249 KP6 0.8702
250 Q5M 0.8702
251 2J2 0.8699
252 R4E 0.8699
253 0XT 0.8698
254 96U 0.8693
255 4ME 0.8692
256 B62 0.8691
257 DAH 0.8690
258 RM1 0.8689
259 6DP 0.8688
260 5OB 0.8688
261 I59 0.8685
262 61M 0.8685
263 HWD 0.8685
264 42A 0.8683
265 2AK 0.8681
266 L21 0.8681
267 GJK 0.8680
268 PXP 0.8678
269 APQ 0.8677
270 ZZ2 0.8677
271 LNR 0.8674
272 PRZ 0.8672
273 YF3 0.8672
274 4R1 0.8671
275 E7Z 0.8669
276 L1O 0.8667
277 BB4 0.8664
278 EYM 0.8661
279 IPT 0.8656
280 3C4 0.8654
281 ZIP 0.8652
282 N91 0.8651
283 SNG 0.8650
284 9ZE 0.8649
285 L8J 0.8643
286 BM3 0.8643
287 LZM 0.8638
288 UQ1 0.8637
289 5F5 0.8637
290 M6P 0.8635
291 JU2 0.8634
292 A7H 0.8634
293 LL1 0.8633
294 6HO 0.8632
295 3R6 0.8632
296 EAE 0.8630
297 2FY 0.8629
298 HBO 0.8626
299 6J9 0.8624
300 S3C 0.8622
301 8WT 0.8619
302 XDE 0.8617
303 T6Z 0.8616
304 XJE 0.8614
305 UFO 0.8613
306 8U3 0.8610
307 8W9 0.8600
308 O2A 0.8593
309 BNX 0.8593
310 VM1 0.8592
311 XI7 0.8582
312 FIX 0.8581
313 AM1 0.8579
314 505 0.8579
315 EOL 0.8576
316 0Q2 0.8575
317 THM 0.8574
318 BGN 0.8572
319 VXX 0.8572
320 CHQ 0.8567
321 DEW 0.8567
322 64F 0.8567
323 WUB 0.8566
324 KDV 0.8566
325 O2Y 0.8563
326 H35 0.8560
327 DEE 0.8557
328 0FK 0.8556
329 3Y7 0.8555
330 TR7 0.8540
331 226 0.8523
332 HA5 0.8514
333 QIF 0.8513
334 S24 0.8511
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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