Receptor
PDB id Resolution Class Description Source Keywords
5QA6 1.95 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 4A KLEBSIELLA PNEUMONIAE OXACILLINASE INHIBITOR COMPLEX OXA ANTIBIOTIC RESISTANCELACTAMASE FRAGMENT HYDROLASE
Ref.: A FOCUSED FRAGMENT LIBRARY TARGETING THE ANTIBIOTIC RESISTANCE ENZYME - OXACILLINASE-48: SYNTHESIS, STR EVALUATION AND INHIBITOR DESIGN. EUR J MED CHEM V. 145 634 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:304;
D:302;
B:305;
B:303;
B:306;
C:303;
B:304;
A:303;
C:302;
C:304;
D:303;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
AUV D:301;
C:301;
A:301;
B:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 175 uM
214.217 C13 H10 O3 c1ccc...
CL A:302;
B:302;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6UVK 2.2 Å EC: 3.5.2.6 OXA-48 BOUND BY INHIBITOR CDD-97 KLEBSIELLA PNEUMONIAE INHIBITOR BETA-LACTAMASE OXA-48 HYDROLASE-HYDROLASE INHIBCOMPLEX
Ref.: IDENTIFYING OXACILLINASE-48 CARBAPENEMASE INHIBITOR DNA-ENCODED CHEMICAL LIBRARIES. ACS INFECT DIS. V. 6 1214 2020
Members (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 5QAE Kd = 240 uM Q4G C13 H9 F O2 c1cc(cc(c1....
2 5QAW Kd = 400 uM TVC C17 H12 O2 c1ccc2cc(c....
3 5QAJ Kd = 330 uM VBC C13 H11 N O2 c1cc(cc(c1....
4 5QB2 Kd = 70 uM U3M C25 H16 N2 O2 c1cc2ccc(c....
5 5QAV Kd = 70 uM L43 C14 H10 N4 O2 c1cc(cc(c1....
6 5QAK Kd = 220 uM AV4 C15 H15 N O2 CN(C)c1ccc....
7 5QAS Kd = 190 uM CVF C17 H17 N O3 CC(=O)NCCc....
8 5QAZ Kd = 400 uM Q2S C15 H11 N O2 c1cc(cc(c1....
9 5QAP Kd = 100 uM AV7 C15 H13 N O3 CC(=O)Nc1c....
10 5QB1 Kd = 20 uM F1C C23 H20 N2 O4 CC(=O)Nc1c....
11 5QAU Kd = 70 uM V7V C14 H10 N4 O2 c1cc(cc(c1....
12 5QAC Kd = 250 uM U4J C14 H12 O3 COc1ccc(cc....
13 5DTT Kd = 310 uM 5F5 C10 H7 N O2 S c1cc(cc(c1....
14 5QAR Kd = 170 uM QIU C17 H17 N O3 CC(=O)NCCc....
15 5QAT Kd = 140 uM T7O C16 H14 O4 CC(=O)OCc1....
16 5QAD Kd = 170 uM WVV C13 H9 F O2 c1ccc(c(c1....
17 6P9C - 4J6 C15 H26 N4 O6 S2 C[C@@H]1[C....
18 5QA9 Kd = 230 uM QKU C14 H12 O3 c1cc(cc(c1....
19 5QAN Kd = 110 uM M8Q C15 H15 N O4 S CS(=O)(=O)....
20 5QAH Kd = 144 uM EFX C15 H12 O4 COC(=O)c1c....
21 6UVK Ki = 0.53 uM QHY C21 H28 N6 O3 CCOc1ccccc....
22 5QAQ Kd = 290 uM S1C C15 H13 N O3 CC(=O)Nc1c....
23 5DTK Kd = 50 uM 5F3 C17 H12 N2 O2 c1cnccc1c2....
24 5QB0 Kd = 159 uM AVA C12 H9 N O2 c1ccnc(c1)....
25 5QAF Kd = 312 uM S1D C13 H9 F O2 c1cc(cc(c1....
26 5QA4 Kd = 170 uM TI7 C14 H12 O2 Cc1ccccc1c....
27 5QAA Kd = 123 uM EAJ C14 H12 O3 COc1ccccc1....
28 5QAO Kd = 240 uM Z8R C15 H15 N O4 S CS(=O)(=O)....
29 5QAB Kd = 226 uM XEV C14 H12 O3 COc1cccc(c....
30 5QA7 Kd = 110 uM IQQ C13 H10 O3 c1cc(cc(c1....
31 5QAI Kd = 150 uM VM7 C14 H12 O4 S CS(=O)(=O)....
32 5QB3 Kd = 49 uM AVM C24 H18 N2 O3 CC(=O)Nc1c....
33 5QA5 Kd = 300 uM L5D C14 H12 O2 Cc1cccc(c1....
34 5QA8 Kd = 170 uM JSX C13 H10 O3 c1cc(cc(c1....
35 5QAL Kd = 350 uM TVZ C14 H11 N O3 c1cc(cc(c1....
36 5DVA Kd = 280 uM 5FL C12 H9 N O2 c1cc(cc(c1....
37 6PK0 - HIW C12 H19 N3 O5 S [H]/N=CNCC....
38 5QAY Kd = 590 uM X6P C12 H11 N O2 Cn1cccc1c2....
39 6P99 - 1RG C22 H27 N3 O7 S C[C@@H]1[C....
40 5QA6 Kd = 175 uM AUV C13 H10 O3 c1ccc(c(c1....
41 5QAM Kd = 100 uM GA6 C14 H13 N O4 S CS(=O)(=O)....
42 5DTS Kd = 280 uM 5F8 C12 H9 N O2 c1cc(cc(c1....
43 5QAX Kd = 160 uM Q92 C16 H11 N O2 c1cc(cc(c1....
44 5QAG Kd = 200 uM Q2R C15 H12 O4 COC(=O)c1c....
70% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 5QAE Kd = 240 uM Q4G C13 H9 F O2 c1cc(cc(c1....
2 5QAW Kd = 400 uM TVC C17 H12 O2 c1ccc2cc(c....
3 5QAJ Kd = 330 uM VBC C13 H11 N O2 c1cc(cc(c1....
4 5QB2 Kd = 70 uM U3M C25 H16 N2 O2 c1cc2ccc(c....
5 5QAV Kd = 70 uM L43 C14 H10 N4 O2 c1cc(cc(c1....
6 5QAK Kd = 220 uM AV4 C15 H15 N O2 CN(C)c1ccc....
7 5QAS Kd = 190 uM CVF C17 H17 N O3 CC(=O)NCCc....
8 5QAZ Kd = 400 uM Q2S C15 H11 N O2 c1cc(cc(c1....
9 5QAP Kd = 100 uM AV7 C15 H13 N O3 CC(=O)Nc1c....
10 5QB1 Kd = 20 uM F1C C23 H20 N2 O4 CC(=O)Nc1c....
11 5QAU Kd = 70 uM V7V C14 H10 N4 O2 c1cc(cc(c1....
12 5QAC Kd = 250 uM U4J C14 H12 O3 COc1ccc(cc....
13 5DTT Kd = 310 uM 5F5 C10 H7 N O2 S c1cc(cc(c1....
14 5QAR Kd = 170 uM QIU C17 H17 N O3 CC(=O)NCCc....
15 5QAT Kd = 140 uM T7O C16 H14 O4 CC(=O)OCc1....
16 5QAD Kd = 170 uM WVV C13 H9 F O2 c1ccc(c(c1....
17 6P9C - 4J6 C15 H26 N4 O6 S2 C[C@@H]1[C....
18 5QA9 Kd = 230 uM QKU C14 H12 O3 c1cc(cc(c1....
19 5QAN Kd = 110 uM M8Q C15 H15 N O4 S CS(=O)(=O)....
20 5QAH Kd = 144 uM EFX C15 H12 O4 COC(=O)c1c....
21 6UVK Ki = 0.53 uM QHY C21 H28 N6 O3 CCOc1ccccc....
22 5QAQ Kd = 290 uM S1C C15 H13 N O3 CC(=O)Nc1c....
23 5DTK Kd = 50 uM 5F3 C17 H12 N2 O2 c1cnccc1c2....
24 5QB0 Kd = 159 uM AVA C12 H9 N O2 c1ccnc(c1)....
25 5QAF Kd = 312 uM S1D C13 H9 F O2 c1cc(cc(c1....
26 5QA4 Kd = 170 uM TI7 C14 H12 O2 Cc1ccccc1c....
27 5QAA Kd = 123 uM EAJ C14 H12 O3 COc1ccccc1....
28 5QAO Kd = 240 uM Z8R C15 H15 N O4 S CS(=O)(=O)....
29 5QAB Kd = 226 uM XEV C14 H12 O3 COc1cccc(c....
30 5QA7 Kd = 110 uM IQQ C13 H10 O3 c1cc(cc(c1....
31 5QAI Kd = 150 uM VM7 C14 H12 O4 S CS(=O)(=O)....
32 5QB3 Kd = 49 uM AVM C24 H18 N2 O3 CC(=O)Nc1c....
33 5QA5 Kd = 300 uM L5D C14 H12 O2 Cc1cccc(c1....
34 5QA8 Kd = 170 uM JSX C13 H10 O3 c1cc(cc(c1....
35 5QAL Kd = 350 uM TVZ C14 H11 N O3 c1cc(cc(c1....
36 5DVA Kd = 280 uM 5FL C12 H9 N O2 c1cc(cc(c1....
37 6PK0 - HIW C12 H19 N3 O5 S [H]/N=CNCC....
38 5QAY Kd = 590 uM X6P C12 H11 N O2 Cn1cccc1c2....
39 6P99 - 1RG C22 H27 N3 O7 S C[C@@H]1[C....
40 5QA6 Kd = 175 uM AUV C13 H10 O3 c1ccc(c(c1....
41 5QAM Kd = 100 uM GA6 C14 H13 N O4 S CS(=O)(=O)....
42 5DTS Kd = 280 uM 5F8 C12 H9 N O2 c1cc(cc(c1....
43 5QAX Kd = 160 uM Q92 C16 H11 N O2 c1cc(cc(c1....
44 5QAG Kd = 200 uM Q2R C15 H12 O4 COC(=O)c1c....
50% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 5QAE Kd = 240 uM Q4G C13 H9 F O2 c1cc(cc(c1....
2 5QAW Kd = 400 uM TVC C17 H12 O2 c1ccc2cc(c....
3 5QAJ Kd = 330 uM VBC C13 H11 N O2 c1cc(cc(c1....
4 5QB2 Kd = 70 uM U3M C25 H16 N2 O2 c1cc2ccc(c....
5 5QAV Kd = 70 uM L43 C14 H10 N4 O2 c1cc(cc(c1....
6 5QAK Kd = 220 uM AV4 C15 H15 N O2 CN(C)c1ccc....
7 5QAS Kd = 190 uM CVF C17 H17 N O3 CC(=O)NCCc....
8 5QAZ Kd = 400 uM Q2S C15 H11 N O2 c1cc(cc(c1....
9 5QAP Kd = 100 uM AV7 C15 H13 N O3 CC(=O)Nc1c....
10 5QB1 Kd = 20 uM F1C C23 H20 N2 O4 CC(=O)Nc1c....
11 5QAU Kd = 70 uM V7V C14 H10 N4 O2 c1cc(cc(c1....
12 5QAC Kd = 250 uM U4J C14 H12 O3 COc1ccc(cc....
13 5DTT Kd = 310 uM 5F5 C10 H7 N O2 S c1cc(cc(c1....
14 5QAR Kd = 170 uM QIU C17 H17 N O3 CC(=O)NCCc....
15 5QAT Kd = 140 uM T7O C16 H14 O4 CC(=O)OCc1....
16 5QAD Kd = 170 uM WVV C13 H9 F O2 c1ccc(c(c1....
17 6P9C - 4J6 C15 H26 N4 O6 S2 C[C@@H]1[C....
18 5QA9 Kd = 230 uM QKU C14 H12 O3 c1cc(cc(c1....
19 5QAN Kd = 110 uM M8Q C15 H15 N O4 S CS(=O)(=O)....
20 5QAH Kd = 144 uM EFX C15 H12 O4 COC(=O)c1c....
21 6UVK Ki = 0.53 uM QHY C21 H28 N6 O3 CCOc1ccccc....
22 5QAQ Kd = 290 uM S1C C15 H13 N O3 CC(=O)Nc1c....
23 5DTK Kd = 50 uM 5F3 C17 H12 N2 O2 c1cnccc1c2....
24 5QB0 Kd = 159 uM AVA C12 H9 N O2 c1ccnc(c1)....
25 5QAF Kd = 312 uM S1D C13 H9 F O2 c1cc(cc(c1....
26 5QA4 Kd = 170 uM TI7 C14 H12 O2 Cc1ccccc1c....
27 5QAA Kd = 123 uM EAJ C14 H12 O3 COc1ccccc1....
28 5QAO Kd = 240 uM Z8R C15 H15 N O4 S CS(=O)(=O)....
29 5QAB Kd = 226 uM XEV C14 H12 O3 COc1cccc(c....
30 5QA7 Kd = 110 uM IQQ C13 H10 O3 c1cc(cc(c1....
31 5QAI Kd = 150 uM VM7 C14 H12 O4 S CS(=O)(=O)....
32 5QB3 Kd = 49 uM AVM C24 H18 N2 O3 CC(=O)Nc1c....
33 5QA5 Kd = 300 uM L5D C14 H12 O2 Cc1cccc(c1....
34 5QA8 Kd = 170 uM JSX C13 H10 O3 c1cc(cc(c1....
35 5QAL Kd = 350 uM TVZ C14 H11 N O3 c1cc(cc(c1....
36 5DVA Kd = 280 uM 5FL C12 H9 N O2 c1cc(cc(c1....
37 6PK0 - HIW C12 H19 N3 O5 S [H]/N=CNCC....
38 5QAY Kd = 590 uM X6P C12 H11 N O2 Cn1cccc1c2....
39 6P99 - 1RG C22 H27 N3 O7 S C[C@@H]1[C....
40 5QA6 Kd = 175 uM AUV C13 H10 O3 c1ccc(c(c1....
41 5QAM Kd = 100 uM GA6 C14 H13 N O4 S CS(=O)(=O)....
42 5DTS Kd = 280 uM 5F8 C12 H9 N O2 c1cc(cc(c1....
43 5QAX Kd = 160 uM Q92 C16 H11 N O2 c1cc(cc(c1....
44 5QAG Kd = 200 uM Q2R C15 H12 O4 COC(=O)c1c....
45 4K0W - CIT C6 H8 O7 C(C(=O)O)C....
46 6N6T - FLC C6 H5 O7 C(C(=O)[O-....
47 4JF5 - FLC C6 H5 O7 C(C(=O)[O-....
48 5TG5 - JW8 C9 H12 B N O4 S B(c1ccc(cc....
49 2WGV - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AUV; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 AUV 1 1
2 TI7 0.591837 0.681818
3 WVV 0.58 0.64
4 Q2R 0.545455 0.615385
5 EAJ 0.537037 0.833333
6 IQQ 0.45098 0.904762
7 JSX 0.442308 0.904762
8 TVC 0.421053 0.636364
9 QKU 0.418182 0.6
10 CH9 0.413043 0.761905
Similar Ligands (3D)
Ligand no: 1; Ligand: AUV; Similar ligands found: 671
No: Ligand Similarity coefficient
1 5F8 0.9750
2 5FL 0.9744
3 1ER 0.9734
4 FCD 0.9722
5 KCH 0.9704
6 X6P 0.9699
7 AVA 0.9694
8 L5D 0.9664
9 1SF 0.9610
10 FC2 0.9589
11 0LO 0.9589
12 1FL 0.9584
13 YE6 0.9576
14 Q4G 0.9569
15 EQA 0.9536
16 5TZ 0.9532
17 5F5 0.9510
18 5C1 0.9488
19 VM1 0.9482
20 K48 0.9468
21 VBC 0.9462
22 B2T 0.9458
23 LL1 0.9457
24 S1D 0.9450
25 KYN 0.9439
26 9UL 0.9439
27 LFQ 0.9437
28 3GV 0.9437
29 4FF 0.9436
30 XI7 0.9412
31 ZZA 0.9406
32 EWG 0.9394
33 272 0.9393
34 D1Y 0.9384
35 G14 0.9372
36 3C5 0.9368
37 H7S 0.9367
38 TIA 0.9365
39 PQT 0.9364
40 MEX 0.9355
41 L1T 0.9354
42 27M 0.9354
43 ENG 0.9351
44 0RY 0.9351
45 B21 0.9350
46 36Z 0.9343
47 TCC 0.9342
48 3CA 0.9341
49 6HX 0.9338
50 49P 0.9337
51 1AJ 0.9337
52 28A 0.9323
53 9CE 0.9322
54 4GU 0.9313
55 GZV 0.9309
56 WCU 0.9303
57 RVE 0.9303
58 KWB 0.9298
59 FHI 0.9298
60 E9S 0.9294
61 1XS 0.9292
62 NIR 0.9289
63 2D2 0.9288
64 BBY 0.9286
65 BXZ 0.9278
66 ZYV 0.9277
67 RKV 0.9277
68 1ZC 0.9267
69 A9B 0.9267
70 HH6 0.9267
71 78Y 0.9266
72 TRP 0.9257
73 5B2 0.9255
74 4G2 0.9254
75 XEV 0.9254
76 PUE 0.9250
77 4AU 0.9248
78 II4 0.9243
79 774 0.9243
80 A7Q 0.9241
81 6MW 0.9232
82 5E5 0.9231
83 X29 0.9229
84 F40 0.9226
85 2GD 0.9224
86 VAO 0.9223
87 JWS 0.9216
88 0FR 0.9210
89 TCR 0.9209
90 4E5 0.9208
91 5P3 0.9207
92 DXK 0.9205
93 5JT 0.9199
94 A5H 0.9199
95 C0H 0.9195
96 D3G 0.9193
97 C4E 0.9192
98 0NX 0.9192
99 LTN 0.9191
100 AED 0.9184
101 LEL 0.9183
102 6HO 0.9182
103 CUQ 0.9182
104 BVS 0.9180
105 0K7 0.9179
106 TCL 0.9177
107 CK2 0.9177
108 79W 0.9177
109 D1G 0.9173
110 2LW 0.9173
111 MIL 0.9172
112 X11 0.9171
113 U4J 0.9170
114 28B 0.9168
115 7L4 0.9167
116 SOV 0.9167
117 PIQ 0.9165
118 WOE 0.9161
119 B23 0.9161
120 BZE 0.9159
121 XDK 0.9158
122 5V7 0.9158
123 BZQ 0.9158
124 EYJ 0.9153
125 SSY 0.9153
126 5NN 0.9144
127 P4L 0.9144
128 MD6 0.9143
129 5AD 0.9141
130 3SU 0.9141
131 DTR 0.9140
132 D2G 0.9139
133 4EU 0.9136
134 CUT 0.9131
135 TIZ 0.9127
136 ELH 0.9127
137 CTN 0.9126
138 3VQ 0.9125
139 TOH 0.9120
140 0DF 0.9120
141 ODK 0.9114
142 TJM 0.9114
143 6J9 0.9106
144 6C8 0.9106
145 1A7 0.9106
146 BPY 0.9106
147 G30 0.9101
148 4ZF 0.9099
149 FB4 0.9095
150 JFS 0.9094
151 URI 0.9092
152 GXD 0.9092
153 0OL 0.9091
154 2GQ 0.9089
155 U7E 0.9086
156 OCZ 0.9085
157 60L 0.9084
158 FPL 0.9074
159 DBS 0.9073
160 NIY 0.9073
161 30G 0.9071
162 Q2S 0.9069
163 LWS 0.9068
164 AOJ 0.9068
165 363 0.9068
166 LVY 0.9062
167 3GX 0.9061
168 1VK 0.9060
169 MJ5 0.9057
170 3VW 0.9054
171 BP7 0.9054
172 UN3 0.9053
173 ZME 0.9052
174 R9G 0.9052
175 X6W 0.9052
176 KW7 0.9051
177 3Y7 0.9050
178 22L 0.9049
179 78U 0.9049
180 V2Z 0.9048
181 XIF XYP 0.9047
182 6NZ 0.9046
183 2QU 0.9043
184 3IL 0.9043
185 GXG 0.9042
186 JF8 0.9040
187 3D8 0.9040
188 WLH 0.9039
189 7ZL 0.9037
190 JCZ 0.9036
191 RK4 0.9035
192 FCW 0.9033
193 M3E 0.9033
194 MMJ 0.9028
195 JA3 0.9028
196 KP2 0.9026
197 JMG 0.9026
198 69K 0.9025
199 OA1 0.9025
200 CC5 0.9024
201 VJJ 0.9024
202 833 0.9022
203 ID8 0.9020
204 KF5 0.9020
205 CUH 0.9018
206 1HP 0.9018
207 NKI 0.9017
208 2JX 0.9016
209 A4G 0.9013
210 9JT 0.9011
211 1HR 0.9007
212 0OY 0.9005
213 ADN 0.9004
214 THM 0.9002
215 6PB 0.9000
216 HA6 0.8999
217 96Z 0.8999
218 6DQ 0.8998
219 0UL 0.8997
220 A73 0.8996
221 CK1 0.8995
222 X48 0.8991
223 BP3 0.8989
224 ZIQ 0.8987
225 TLF 0.8987
226 CH8 0.8986
227 A6W 0.8986
228 KLE 0.8985
229 6J3 0.8982
230 9FG 0.8980
231 FMQ 0.8980
232 9FH 0.8979
233 NOS 0.8978
234 92G 0.8976
235 IDZ 0.8974
236 DAH 0.8971
237 1V1 0.8969
238 ONZ 0.8969
239 BQ5 0.8969
240 P2L 0.8967
241 LR2 0.8964
242 38B 0.8964
243 RGK 0.8961
244 MUK 0.8960
245 EVO 0.8959
246 DBE 0.8959
247 F16 0.8959
248 ERZ 0.8958
249 N2Y 0.8957
250 DUR 0.8956
251 H4E 0.8953
252 A6H 0.8952
253 C0W 0.8951
254 7VF 0.8951
255 JF5 0.8950
256 8OB 0.8948
257 20D 0.8946
258 3AD 0.8945
259 4Z9 0.8944
260 XYP XIF 0.8943
261 NNR 0.8941
262 39Z 0.8940
263 MQR 0.8939
264 C53 0.8938
265 E9P 0.8938
266 XDL XYP 0.8936
267 XIL 0.8936
268 DKZ 0.8934
269 25F 0.8934
270 LNN 0.8933
271 HBI 0.8933
272 36M 0.8931
273 8D6 0.8928
274 2QV 0.8924
275 6QT 0.8924
276 4FP 0.8922
277 LJ3 0.8922
278 KWV 0.8921
279 EV2 0.8920
280 B4O 0.8920
281 KMY 0.8919
282 ISC 0.8917
283 AZY 0.8916
284 3F4 0.8914
285 SZ5 0.8913
286 EQW 0.8912
287 CJB 0.8911
288 DDC 0.8911
289 W29 0.8910
290 MQS 0.8909
291 7R4 0.8908
292 AMR 0.8908
293 Q0K 0.8907
294 M83 0.8906
295 XYP XDN 0.8905
296 XDN XYP 0.8905
297 U2Z 0.8905
298 CSN 0.8904
299 YE7 0.8904
300 SOJ 0.8903
301 FT3 0.8903
302 L98 0.8902
303 FT2 0.8901
304 AVX 0.8901
305 92O 0.8900
306 NOC 0.8900
307 ARJ 0.8900
308 H48 0.8898
309 AV4 0.8898
310 M5H 0.8898
311 5VL 0.8898
312 D9Z 0.8896
313 795 0.8896
314 6JO 0.8896
315 W8L 0.8895
316 D8Q 0.8894
317 S46 0.8894
318 FT6 0.8891
319 BP6 0.8890
320 NQ7 0.8890
321 8CC 0.8889
322 XZ8 0.8886
323 6C9 0.8886
324 DCZ 0.8885
325 J47 0.8884
326 P93 0.8883
327 NAL 0.8882
328 1KN 0.8880
329 3RP 0.8880
330 EZN 0.8877
331 DFL 0.8876
332 8OE 0.8875
333 CDJ 0.8875
334 LI7 0.8874
335 54X 0.8872
336 HJH 0.8872
337 5TO 0.8871
338 P9I 0.8870
339 47V 0.8869
340 RA7 0.8869
341 H35 0.8869
342 2GE 0.8869
343 1V3 0.8868
344 RFZ 0.8868
345 MZR 0.8867
346 R20 0.8866
347 0OK 0.8865
348 5VU 0.8863
349 THU 0.8862
350 5GV 0.8862
351 LJ4 0.8861
352 H70 0.8861
353 9RM 0.8861
354 TT4 0.8861
355 GNW 0.8861
356 BIK 0.8860
357 5AE 0.8860
358 K80 0.8859
359 DKX 0.8858
360 FT1 0.8857
361 IA2 0.8857
362 89J 0.8856
363 FHV 0.8855
364 S2T 0.8851
365 XFE 0.8850
366 2UZ 0.8850
367 EAT 0.8850
368 683 0.8847
369 4XF 0.8847
370 FTV 0.8843
371 GN6 0.8842
372 6DE 0.8842
373 AJD 0.8841
374 EYY 0.8840
375 4NR 0.8840
376 ZYW 0.8839
377 AWE 0.8839
378 NWD 0.8838
379 7MX 0.8836
380 43U 0.8834
381 IQW 0.8833
382 1V4 0.8832
383 Y3J 0.8831
384 DCN 0.8830
385 M01 0.8829
386 GZ2 0.8829
387 7M2 0.8828
388 C0Y 0.8827
389 LAH 0.8826
390 7M5 0.8825
391 TB8 0.8825
392 F63 0.8825
393 EF2 0.8825
394 9XZ 0.8824
395 S0G 0.8823
396 BIO 0.8819
397 YZ9 0.8818
398 ONR 0.8818
399 BQ2 0.8818
400 6C5 0.8818
401 977 0.8818
402 6TZ 0.8817
403 0SY 0.8816
404 6FG 0.8816
405 3WJ 0.8816
406 4I8 0.8813
407 5S9 0.8813
408 7VP 0.8813
409 TQL 0.8812
410 GNR 0.8810
411 7G2 0.8809
412 PBQ 0.8806
413 CBE 0.8806
414 DIF 0.8805
415 5N5 0.8803
416 BSA 0.8802
417 TR4 0.8802
418 AJ1 0.8802
419 XYP XYP 0.8801
420 MXD 0.8801
421 B41 0.8800
422 H2W 0.8800
423 2TU 0.8799
424 WDW 0.8798
425 AZC 0.8798
426 T2D 0.8797
427 CU8 0.8796
428 4F8 0.8793
429 2OH 0.8792
430 HX8 0.8792
431 0OM 0.8791
432 7I2 0.8791
433 NIF 0.8790
434 2JM 0.8786
435 B1J 0.8785
436 X2M 0.8785
437 I5A 0.8785
438 U14 0.8784
439 FC3 0.8784
440 GT4 0.8783
441 HQJ 0.8782
442 25O 0.8780
443 ITW 0.8778
444 I2E 0.8777
445 DBQ 0.8776
446 VT3 0.8776
447 EGR 0.8776
448 7O4 0.8774
449 L5V 0.8774
450 AP6 0.8773
451 YZM 0.8772
452 5I5 0.8772
453 GPK 0.8769
454 1QP 0.8768
455 N1E 0.8766
456 ID2 0.8765
457 0DN 0.8764
458 RQD 0.8764
459 DK4 0.8763
460 JGB 0.8763
461 MUX 0.8763
462 492 0.8762
463 3CX 0.8762
464 L2K 0.8760
465 NYJ 0.8760
466 8UY 0.8758
467 TBN 0.8757
468 PYU 0.8757
469 IXM 0.8757
470 5E4 0.8756
471 NE1 0.8756
472 MFR 0.8756
473 3DE 0.8755
474 H4B 0.8753
475 TMG 0.8752
476 CJZ 0.8751
477 51Y 0.8750
478 69W 0.8750
479 17C 0.8749
480 NFZ 0.8749
481 5H6 0.8748
482 IQ5 0.8748
483 ZRK 0.8747
484 2KU 0.8747
485 AJ4 0.8746
486 GPU 0.8746
487 J38 0.8745
488 0F9 0.8743
489 9PL 0.8741
490 F01 0.8741
491 15Q 0.8741
492 XYS XYS 0.8740
493 OX2 0.8738
494 E9L 0.8737
495 Z15 0.8737
496 5KN 0.8736
497 11X 0.8736
498 IMH 0.8733
499 43F 0.8733
500 0GA 0.8733
501 1U7 0.8731
502 MCY 0.8729
503 GPQ 0.8728
504 KU1 0.8727
505 KOM 0.8727
506 3QI 0.8726
507 URD 0.8724
508 PZX 0.8724
509 B86 0.8724
510 UKV 0.8721
511 RSV 0.8720
512 EFX 0.8720
513 Z57 0.8719
514 CTD 0.8717
515 QMS 0.8715
516 FMB 0.8715
517 M1Z 0.8714
518 UN9 0.8714
519 PF1 0.8711
520 6ZX 0.8711
521 S0F 0.8711
522 MMS 0.8710
523 Q8D 0.8707
524 IOP 0.8707
525 SQV 0.8707
526 C2M 0.8707
527 ZEA 0.8706
528 7G1 0.8705
529 BY5 0.8704
530 2LT 0.8703
531 5GT 0.8702
532 HKK 0.8701
533 A7K 0.8701
534 3TC 0.8699
535 FWD 0.8698
536 9W5 0.8697
537 TVZ 0.8697
538 N9J 0.8696
539 M3W 0.8694
540 9BF 0.8693
541 BWD 0.8692
542 U13 0.8691
543 M5E 0.8691
544 50C 0.8690
545 MPK 0.8690
546 FLF 0.8690
547 0QW 0.8688
548 XRS 0.8686
549 BGC OXZ 0.8685
550 5BT 0.8684
551 46P 0.8684
552 7EH 0.8683
553 90G 0.8683
554 3D1 0.8683
555 UUA 0.8679
556 M78 0.8679
557 IFM BGC 0.8679
558 Q8G 0.8679
559 AD3 0.8677
560 1Q4 0.8676
561 XTS 0.8676
562 CC6 0.8676
563 5WS 0.8671
564 42R 0.8671
565 Q92 0.8669
566 0FS 0.8669
567 Y70 0.8667
568 RVB 0.8666
569 2F6 0.8666
570 WL3 0.8666
571 16Z 0.8665
572 FMC 0.8665
573 FZM 0.8665
574 38E 0.8663
575 XYS XYP 0.8662
576 CWD 0.8661
577 6XC 0.8658
578 HL6 0.8655
579 F18 0.8655
580 L13 0.8652
581 AHU 0.8651
582 TZM 0.8651
583 B2E 0.8651
584 FM2 0.8649
585 A29 0.8648
586 XDE 0.8647
587 GFE 0.8646
588 TQU 0.8645
589 HX4 0.8645
590 4L2 0.8644
591 AYS 0.8643
592 AUE 0.8643
593 68B 0.8642
594 PCQ 0.8641
595 37E 0.8640
596 6EN 0.8638
597 6GP 0.8637
598 91F 0.8636
599 TGW 0.8635
600 LTT 0.8634
601 LP8 0.8633
602 DDU 0.8631
603 HNL 0.8631
604 Q9T 0.8631
605 DNB 0.8629
606 5O6 0.8629
607 MNP 0.8626
608 H2B 0.8624
609 43S 0.8623
610 PUR 0.8622
611 SNJ 0.8618
612 P1J 0.8616
613 C82 0.8616
614 IOS 0.8615
615 PRH 0.8615
616 57D 0.8615
617 VCE 0.8614
618 3DT 0.8613
619 DX2 0.8612
620 NE2 0.8611
621 657 0.8610
622 ZSP 0.8610
623 B4L 0.8607
624 VXX 0.8607
625 GAA 0.8605
626 MDR 0.8603
627 D25 0.8603
628 BIE 0.8601
629 5WN 0.8600
630 AH3 0.8600
631 B7H 0.8600
632 5P7 0.8599
633 0QA 0.8595
634 GEO 0.8592
635 AUG 0.8592
636 DEW 0.8591
637 A51 0.8590
638 7MW 0.8590
639 JRB 0.8588
640 A4N 0.8588
641 JR2 0.8586
642 IWH 0.8585
643 2LX 0.8584
644 5ZM 0.8584
645 A63 0.8581
646 A8K 0.8581
647 0XR 0.8580
648 ZRL 0.8578
649 N3W 0.8574
650 EYV 0.8573
651 DFV 0.8571
652 HSA 0.8570
653 DE3 0.8570
654 S7G 0.8567
655 LZJ 0.8565
656 OSB 0.8559
657 T3P 0.8555
658 K3Y 0.8553
659 CHQ 0.8552
660 NAR 0.8548
661 BNY 0.8547
662 4LV 0.8544
663 6C4 0.8541
664 1DA 0.8541
665 TAL 0.8539
666 HPR 0.8536
667 BNL 0.8535
668 BJ4 0.8535
669 9F5 0.8520
670 SB7 0.8517
671 IKY 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6UVK; Ligand: QHY; 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: 6uvk.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6UVK; Ligand: QHY; 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: 6uvk.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6UVK; Ligand: QHY; 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: 6uvk.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6UVK; Ligand: QHY; 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: 6uvk.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback