Receptor
PDB id Resolution Class Description Source Keywords
5QAC 2 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 6C 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;
B:304;
A:303;
B:303;
C:302;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
U4J D:301;
A:301;
C:301;
B:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 250 uM
228.243 C14 H12 O3 COc1c...
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: U4J; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 U4J 1 1
2 XEV 0.645833 1
3 JSX 0.630435 0.818182
4 EFX 0.571429 0.73913
5 IQQ 0.541667 0.818182
6 L5D 0.530612 0.666667
7 OVM 0.489362 0.857143
8 TVC 0.472727 0.636364
9 EAJ 0.45614 0.913043
10 TI7 0.444444 0.608696
11 ANN 0.431818 0.857143
12 Q2R 0.416667 0.68
Similar Ligands (3D)
Ligand no: 1; Ligand: U4J; Similar ligands found: 524
No: Ligand Similarity coefficient
1 S1D 0.9786
2 VBC 0.9721
3 TVZ 0.9669
4 0K7 0.9513
5 JFS 0.9487
6 A05 0.9463
7 1SF 0.9460
8 A63 0.9455
9 1FL 0.9419
10 Q92 0.9387
11 28A 0.9380
12 20D 0.9376
13 IDZ 0.9369
14 5FL 0.9365
15 FHI 0.9352
16 BVS 0.9352
17 91F 0.9345
18 1V1 0.9342
19 A9B 0.9342
20 5F8 0.9338
21 97K 0.9337
22 A73 0.9335
23 Q2S 0.9329
24 S1C 0.9322
25 3CA 0.9321
26 HH6 0.9307
27 08C 0.9307
28 NKI 0.9299
29 RGK 0.9294
30 A64 0.9293
31 F36 0.9287
32 Q4G 0.9282
33 1UZ 0.9280
34 SZ5 0.9272
35 AVA 0.9265
36 272 0.9257
37 1UT 0.9253
38 3F4 0.9253
39 1XS 0.9242
40 28B 0.9238
41 1V0 0.9237
42 DFL 0.9231
43 1UR 0.9230
44 72G 0.9225
45 338 0.9224
46 27F 0.9219
47 1HP 0.9207
48 5WW 0.9197
49 LI7 0.9195
50 2UV 0.9191
51 DFV 0.9187
52 D1Y 0.9186
53 W8L 0.9185
54 ZEA 0.9183
55 WDW 0.9178
56 25F 0.9177
57 BXS 0.9175
58 WVV 0.9171
59 AUV 0.9170
60 A6Z 0.9157
61 NZ4 0.9155
62 8UY 0.9153
63 27M 0.9152
64 1V8 0.9146
65 90G 0.9141
66 FBC 0.9141
67 4AU 0.9141
68 U13 0.9138
69 IPJ 0.9132
70 T21 0.9129
71 E9L 0.9129
72 DUL 0.9124
73 4FF 0.9123
74 4ZF 0.9115
75 AWE 0.9113
76 ENG 0.9109
77 WLH 0.9109
78 F40 0.9109
79 A5H 0.9109
80 47V 0.9108
81 JL7 0.9106
82 SSY 0.9104
83 7G2 0.9104
84 DBE 0.9103
85 KWV 0.9102
86 5YA 0.9102
87 9JT 0.9098
88 KWB 0.9093
89 B7H 0.9090
90 MR6 0.9088
91 GA6 0.9085
92 H2W 0.9080
93 O53 0.9076
94 BX4 0.9075
95 Q0K 0.9072
96 U14 0.9070
97 4GU 0.9070
98 6FX 0.9069
99 BXZ 0.9068
100 RVE 0.9066
101 A9E 0.9065
102 856 0.9063
103 L2K 0.9063
104 NU3 0.9063
105 4RG 0.9063
106 3Q0 0.9057
107 BMC 0.9056
108 LZ7 0.9051
109 MT6 0.9050
110 YE6 0.9049
111 JCZ 0.9049
112 F18 0.9047
113 6SD 0.9038
114 BBY 0.9038
115 49P 0.9037
116 0DJ 0.9036
117 WCU 0.9035
118 797 0.9029
119 CDJ 0.9028
120 MR4 0.9022
121 1Q1 0.9018
122 P4L 0.9017
123 1ER 0.9011
124 VM1 0.9010
125 9CE 0.9006
126 J1K 0.9004
127 XI7 0.9002
128 UV4 0.8999
129 2P3 0.8999
130 1FE 0.8999
131 8OB 0.8998
132 U55 0.8996
133 5P3 0.8994
134 LVY 0.8994
135 7L4 0.8991
136 UN3 0.8991
137 0LO 0.8988
138 AJ1 0.8988
139 AGI 0.8987
140 DXK 0.8987
141 PIQ 0.8979
142 15Q 0.8975
143 Z3R 0.8973
144 7DE 0.8972
145 D64 0.8972
146 DDC 0.8970
147 6JM 0.8969
148 5B2 0.8967
149 4MP 0.8966
150 XYP XYP 0.8964
151 C4E 0.8964
152 F08 0.8959
153 6H2 0.8959
154 2D2 0.8958
155 5ZM 0.8954
156 5E5 0.8954
157 2ZI 0.8952
158 5F5 0.8951
159 CX5 0.8950
160 GF7 0.8949
161 3D8 0.8949
162 VT3 0.8948
163 MR5 0.8947
164 1V4 0.8946
165 AVX 0.8945
166 G2V 0.8944
167 5NN 0.8943
168 6XC 0.8943
169 GVI 0.8942
170 5H6 0.8942
171 KU1 0.8942
172 AV7 0.8942
173 KCH 0.8941
174 NFZ 0.8940
175 31F 0.8940
176 5TU 0.8938
177 1KN 0.8936
178 C0V 0.8935
179 6DQ 0.8934
180 0UL 0.8933
181 ZZA 0.8932
182 3GX 0.8932
183 3C5 0.8930
184 V2Z 0.8927
185 8M5 0.8927
186 MZR 0.8926
187 2WU 0.8926
188 6T5 0.8921
189 XAV 0.8919
190 HPX 0.8919
191 5O6 0.8917
192 IY5 0.8917
193 LFQ 0.8916
194 NAR 0.8916
195 KVD 0.8914
196 801 0.8909
197 4G2 0.8909
198 H35 0.8909
199 RCV 0.8907
200 M3W 0.8907
201 833 0.8907
202 NPS 0.8906
203 57D 0.8906
204 PZX 0.8905
205 RKV 0.8902
206 K48 0.8902
207 4UM 0.8901
208 92G 0.8901
209 OLU 0.8901
210 EEY 0.8900
211 AYS 0.8899
212 3WJ 0.8898
213 KHP 0.8896
214 5VU 0.8894
215 BRY 0.8893
216 VJJ 0.8892
217 FCD 0.8892
218 06R 0.8892
219 JVD 0.8891
220 0XR 0.8891
221 7VF 0.8890
222 CR4 0.8890
223 124 0.8889
224 90M 0.8889
225 4EU 0.8886
226 0DF 0.8885
227 X6P 0.8882
228 108 0.8882
229 3WK 0.8880
230 G14 0.8876
231 FHV 0.8876
232 802 0.8875
233 S98 0.8874
234 B1J 0.8873
235 GQZ 0.8872
236 5DE 0.8869
237 YE7 0.8869
238 JBB 0.8865
239 6P3 0.8862
240 2QU 0.8858
241 6C8 0.8857
242 SJR 0.8856
243 6F3 0.8855
244 8CC 0.8855
245 BGK 0.8852
246 W2E 0.8851
247 SGW 0.8851
248 O9Z 0.8850
249 MQS 0.8849
250 U12 0.8849
251 FSE 0.8848
252 121 0.8847
253 LU2 0.8846
254 5TO 0.8845
255 VFJ 0.8841
256 5M2 0.8838
257 3JC 0.8838
258 OSY 0.8835
259 OJ7 0.8834
260 AJ4 0.8834
261 LVB 0.8834
262 LL1 0.8833
263 120 0.8831
264 CWE 0.8831
265 AJ6 0.8829
266 K80 0.8828
267 5C1 0.8826
268 4K2 0.8822
269 122 0.8821
270 TRP 0.8820
271 57U 0.8820
272 IQW 0.8818
273 2JX 0.8818
274 HRD 0.8817
275 ERZ 0.8816
276 ZRK 0.8816
277 L43 0.8816
278 6MW 0.8816
279 MIL 0.8812
280 6BK 0.8812
281 FMQ 0.8810
282 EMU 0.8808
283 GAT 0.8808
284 1Q4 0.8807
285 6QT 0.8807
286 3TI 0.8805
287 ZTW 0.8805
288 MQR 0.8804
289 JF5 0.8804
290 1AJ 0.8803
291 P7V 0.8803
292 72H 0.8799
293 CMG 0.8799
294 WA2 0.8797
295 IXM 0.8794
296 MMJ 0.8793
297 4CN 0.8791
298 TGW 0.8790
299 7EH 0.8790
300 ADN 0.8789
301 2QV 0.8789
302 DUR 0.8789
303 NE2 0.8785
304 S7S 0.8783
305 HWH 0.8783
306 EAT 0.8781
307 TCL 0.8781
308 9FG 0.8780
309 1V3 0.8780
310 0SY 0.8779
311 XYS XYS 0.8779
312 MRE 0.8779
313 FZ0 0.8779
314 PRH 0.8777
315 ASE 0.8776
316 L1T 0.8776
317 H32 0.8774
318 NVS 0.8774
319 6JP 0.8774
320 1ZC 0.8773
321 4NR 0.8773
322 6NZ 0.8773
323 TJM 0.8772
324 BMZ 0.8771
325 LWS 0.8771
326 7FC 0.8769
327 GN5 0.8767
328 VIB 0.8767
329 ESJ 0.8767
330 5ER 0.8766
331 NE1 0.8765
332 KMP 0.8764
333 29F 0.8764
334 6JO 0.8764
335 EQW 0.8763
336 XZ1 0.8763
337 3CX 0.8760
338 QKU 0.8759
339 SNJ 0.8759
340 ID8 0.8759
341 RFZ 0.8756
342 UN9 0.8755
343 EWG 0.8753
344 FCW 0.8753
345 GOW 0.8753
346 3WL 0.8752
347 0FZ 0.8752
348 334 0.8752
349 A6W 0.8751
350 5FD 0.8751
351 THM 0.8751
352 47X 0.8750
353 Q5M 0.8750
354 JMG 0.8744
355 PQM 0.8742
356 2GD 0.8740
357 URI 0.8740
358 27K 0.8738
359 PQS 0.8737
360 AD6 0.8736
361 123 0.8735
362 6J3 0.8734
363 P2L 0.8730
364 UN4 0.8729
365 ODK 0.8728
366 FT3 0.8727
367 5R9 0.8727
368 HV4 0.8726
369 FNT 0.8726
370 6FG 0.8726
371 B4L 0.8726
372 JPB 0.8726
373 T61 0.8724
374 FB4 0.8724
375 JAH 0.8724
376 1Q2 0.8721
377 CTN 0.8721
378 IXG 0.8720
379 NPX 0.8718
380 WG8 0.8716
381 D2G 0.8714
382 FC2 0.8714
383 FT2 0.8713
384 U7E 0.8712
385 GUS 0.8711
386 62D 0.8711
387 6C5 0.8711
388 AZY 0.8710
389 7FZ 0.8710
390 VM7 0.8710
391 J8D 0.8710
392 F4U 0.8709
393 P93 0.8708
394 CG 0.8706
395 5N5 0.8706
396 3AD 0.8705
397 JFZ 0.8705
398 ZRL 0.8705
399 0RY 0.8704
400 5CD 0.8703
401 EF2 0.8703
402 MRI 0.8703
403 OUG 0.8700
404 FT1 0.8697
405 R4E 0.8697
406 NIF 0.8697
407 42R 0.8694
408 P9I 0.8693
409 5P7 0.8690
410 J84 0.8688
411 Y70 0.8687
412 9XZ 0.8685
413 A45 0.8681
414 88X 0.8680
415 4HG 0.8680
416 T98 0.8679
417 3G5 0.8678
418 UM3 0.8677
419 XDL XYP 0.8677
420 HKK 0.8676
421 AV4 0.8676
422 C53 0.8672
423 2PW 0.8671
424 Y3J 0.8670
425 83D 0.8670
426 4F8 0.8670
427 907 0.8668
428 8OE 0.8664
429 0MB 0.8664
430 IK1 0.8657
431 AP6 0.8655
432 MTA 0.8653
433 FL8 0.8653
434 NOS 0.8652
435 JNW 0.8651
436 A8D 0.8650
437 8BD 0.8650
438 697 0.8649
439 0NJ 0.8648
440 9BF 0.8648
441 5S9 0.8648
442 43G 0.8647
443 40W 0.8647
444 D1G 0.8645
445 26C 0.8644
446 XYP XIF 0.8642
447 D3G 0.8642
448 ML1 0.8642
449 68C 0.8642
450 QS4 0.8641
451 CK2 0.8641
452 OA1 0.8637
453 103 0.8637
454 XDN XYP 0.8636
455 XYP XDN 0.8636
456 YZ9 0.8636
457 38E 0.8634
458 LWA 0.8632
459 ECZ 0.8630
460 NWW 0.8630
461 6C9 0.8628
462 0H5 0.8628
463 AOY 0.8627
464 NAL 0.8625
465 EZB 0.8622
466 FER 0.8622
467 C2M 0.8621
468 53X 0.8616
469 6ZX 0.8615
470 NIY 0.8614
471 GEN 0.8614
472 JF8 0.8612
473 ZAS 0.8611
474 GT2 0.8610
475 T5J 0.8609
476 ZYC 0.8608
477 ZIP 0.8606
478 4FP 0.8603
479 FZB 0.8601
480 50C 0.8600
481 YIP 0.8597
482 IPO 0.8597
483 JE7 0.8597
484 6DH 0.8595
485 A3V 0.8595
486 16Z 0.8591
487 E9S 0.8590
488 PCQ 0.8587
489 6MD 0.8586
490 9F5 0.8585
491 LTN 0.8584
492 72E 0.8582
493 T34 0.8581
494 7M5 0.8580
495 5AE 0.8579
496 3DL 0.8579
497 CFK 0.8579
498 69W 0.8579
499 TLF 0.8579
500 2GE 0.8578
501 21E 0.8574
502 NQ7 0.8571
503 147 0.8567
504 XDK 0.8567
505 T3P 0.8563
506 X2M 0.8561
507 40N 0.8556
508 IOP 0.8554
509 JTF 0.8553
510 MTP 0.8552
511 AH6 0.8545
512 NW1 0.8535
513 CJZ 0.8533
514 C5P 0.8530
515 M3E 0.8529
516 51Y 0.8526
517 8D6 0.8525
518 613 0.8524
519 STV 0.8521
520 SAK 0.8520
521 3IL 0.8520
522 X48 0.8514
523 OJD 0.8512
524 H0V 0.8504
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
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