Receptor
PDB id Resolution Class Description Source Keywords
5qaz 2.2 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 34 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
Q2S A:301;
C:301;
D:301;
B:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 400 uM
237.253 C15 H11 N O2 c1cc(...
CL C:302;
B:302;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
EDO C:303;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
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: Q2S; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 Q2S 1 1
2 TVC 0.517241 0.625
3 5F8 0.482143 0.68
4 VBC 0.464286 0.642857
5 Q92 0.461538 0.8
6 EWG 0.457627 0.677419
7 L43 0.453125 0.605263
8 5FL 0.438596 0.68
9 V7V 0.430769 0.605263
Similar Ligands (3D)
Ligand no: 1; Ligand: Q2S; Similar ligands found: 369
No: Ligand Similarity coefficient
1 BXS 0.9473
2 JSX 0.9440
3 AV4 0.9438
4 U14 0.9413
5 28A 0.9412
6 U12 0.9406
7 97K 0.9383
8 BMC 0.9379
9 A05 0.9332
10 T21 0.9331
11 U4J 0.9329
12 DUL 0.9317
13 S1D 0.9315
14 4RG 0.9288
15 L2K 0.9281
16 1V8 0.9277
17 3CA 0.9261
18 3Q0 0.9259
19 LI7 0.9248
20 1FL 0.9242
21 4ZF 0.9241
22 272 0.9237
23 6FX 0.9230
24 A63 0.9228
25 SZ5 0.9226
26 3F4 0.9224
27 8M5 0.9216
28 EEY 0.9213
29 1XS 0.9211
30 GW9 0.9205
31 0K7 0.9203
32 20D 0.9201
33 C0V 0.9200
34 27M 0.9197
35 TVZ 0.9190
36 08C 0.9185
37 0RY 0.9182
38 KWV 0.9181
39 6DQ 0.9181
40 MT6 0.9178
41 1Q1 0.9171
42 2QU 0.9166
43 833 0.9160
44 00G 0.9151
45 NU3 0.9150
46 DFL 0.9150
47 6QT 0.9139
48 ESJ 0.9138
49 5M2 0.9138
50 47V 0.9138
51 9CE 0.9135
52 5ER 0.9133
53 BBY 0.9132
54 LZ7 0.9132
55 BZC 0.9129
56 RGK 0.9127
57 1SF 0.9125
58 4AU 0.9121
59 FC2 0.9115
60 JVD 0.9115
61 OUA 0.9113
62 BXZ 0.9109
63 6H2 0.9100
64 5BX 0.9098
65 6F3 0.9093
66 CX5 0.9092
67 PZX 0.9091
68 LU2 0.9090
69 4GU 0.9079
70 FHI 0.9078
71 EAT 0.9078
72 WCU 0.9077
73 0XR 0.9076
74 15Q 0.9070
75 AUV 0.9069
76 XYP XYP 0.9069
77 4G2 0.9068
78 Q4G 0.9062
79 NZ4 0.9060
80 LVB 0.9060
81 A73 0.9058
82 1V1 0.9055
83 HH6 0.9055
84 0FS 0.9054
85 1AJ 0.9053
86 DFV 0.9049
87 HHB 0.9048
88 338 0.9045
89 103 0.9045
90 1Q2 0.9044
91 25F 0.9043
92 A9B 0.9042
93 7ZO 0.9036
94 KU1 0.9032
95 NPZ 0.9030
96 4CN 0.9026
97 5E5 0.9024
98 797 0.9023
99 5VU 0.9020
100 1ZC 0.9014
101 21E 0.9013
102 49P 0.9011
103 IQQ 0.9008
104 9X3 0.9006
105 WG8 0.9006
106 3D8 0.9004
107 MQR 0.8999
108 EMU 0.8996
109 C4E 0.8995
110 FHV 0.8995
111 XYS XYS 0.8991
112 WDW 0.8989
113 AVX 0.8989
114 ZEA 0.8982
115 FNT 0.8980
116 BSV 0.8980
117 C1E 0.8978
118 GF7 0.8977
119 CMG 0.8973
120 WVV 0.8972
121 2JX 0.8971
122 Y3J 0.8971
123 L5D 0.8970
124 108 0.8969
125 TH1 0.8968
126 IPJ 0.8968
127 UN9 0.8964
128 ADN 0.8963
129 F18 0.8963
130 IMK 0.8959
131 AVA 0.8956
132 G2V 0.8955
133 FTK 0.8955
134 GQZ 0.8952
135 UN3 0.8950
136 5P7 0.8949
137 6BK 0.8949
138 NOC 0.8948
139 ARJ 0.8948
140 CWE 0.8946
141 0UL 0.8945
142 BVS 0.8942
143 4FF 0.8935
144 ELH 0.8935
145 4HG 0.8934
146 VAO 0.8931
147 1KN 0.8929
148 IDZ 0.8929
149 MQS 0.8929
150 AGI 0.8926
151 581 0.8920
152 U13 0.8919
153 THM 0.8918
154 NQ7 0.8915
155 EZB 0.8913
156 Q19 0.8912
157 IXM 0.8911
158 SNI 0.8908
159 H35 0.8904
160 C4F 0.8903
161 J1K 0.8900
162 D1Y 0.8900
163 OAK 0.8900
164 TJM 0.8899
165 P2L 0.8896
166 TIZ 0.8892
167 2D2 0.8892
168 TCW 0.8889
169 5R9 0.8887
170 1ER 0.8884
171 S1C 0.8884
172 Q9T 0.8879
173 FY8 0.8877
174 I0D 0.8874
175 EDG AHR 0.8873
176 WLH 0.8873
177 URI 0.8872
178 B4L 0.8870
179 7VF 0.8863
180 QS4 0.8862
181 AD3 0.8861
182 JCQ 0.8861
183 NFZ 0.8861
184 YE6 0.8857
185 BGK 0.8855
186 802 0.8854
187 5FD 0.8850
188 BRY 0.8847
189 AJ4 0.8846
190 LFK 0.8844
191 CTN 0.8844
192 MTA 0.8843
193 P4T 0.8841
194 TRP GLY 0.8839
195 KCH 0.8839
196 VJJ 0.8838
197 7DE 0.8837
198 A45 0.8836
199 MZR 0.8835
200 3AD 0.8833
201 O9Q 0.8833
202 JCZ 0.8833
203 BDE 0.8832
204 9KL 0.8831
205 100 0.8830
206 RKY 0.8829
207 NWW 0.8829
208 0QV 0.8826
209 7FZ 0.8820
210 2P3 0.8820
211 8KW 0.8820
212 2UV 0.8815
213 T5J 0.8814
214 47X 0.8812
215 DDC 0.8812
216 QC1 0.8811
217 F91 0.8811
218 5F1 0.8810
219 38E 0.8808
220 WA2 0.8803
221 TI7 0.8802
222 7GP 0.8802
223 LIT 0.8801
224 CG 0.8800
225 RVE 0.8799
226 HGH 0.8799
227 6T5 0.8799
228 9K2 0.8797
229 NOS 0.8795
230 H32 0.8793
231 RPN 0.8792
232 2JP 0.8792
233 IXG 0.8790
234 AWE 0.8790
235 OA1 0.8790
236 9FG 0.8789
237 CBE 0.8786
238 9F5 0.8784
239 5S9 0.8784
240 FLF 0.8783
241 0SY 0.8783
242 53X 0.8780
243 856 0.8778
244 JFS 0.8777
245 0RA 0.8776
246 QKU 0.8776
247 IWH 0.8774
248 JF5 0.8774
249 U55 0.8773
250 QNM 0.8772
251 88X 0.8770
252 KWB 0.8766
253 ZYC 0.8764
254 6TJ 0.8763
255 26A 0.8762
256 BNY 0.8760
257 S2X 0.8759
258 X2M 0.8759
259 AOY 0.8758
260 4EU 0.8756
261 FSE 0.8752
262 XDL XYP 0.8751
263 101 0.8751
264 V2Z 0.8748
265 8OE 0.8748
266 CUQ 0.8748
267 UN4 0.8746
268 EAJ 0.8746
269 AHR AHR 0.8745
270 8OB 0.8739
271 4F8 0.8738
272 AJ6 0.8736
273 XTS 0.8736
274 XYP AHR 0.8731
275 XYP XDN 0.8730
276 3D1 0.8727
277 HCC 0.8727
278 FT2 0.8725
279 HPZ 0.8723
280 DCZ 0.8721
281 NE1 0.8721
282 CJB 0.8720
283 2M7 0.8717
284 E9S 0.8715
285 XIL 0.8713
286 4K2 0.8710
287 ZAS 0.8710
288 GPK 0.8705
289 AZC 0.8704
290 5C1 0.8702
291 5N5 0.8700
292 AFX 0.8699
293 XDN XYP 0.8694
294 G30 0.8694
295 1DA 0.8691
296 YIP 0.8690
297 83D 0.8689
298 EZN 0.8687
299 GUS 0.8687
300 TCL 0.8686
301 DKX 0.8685
302 HPX 0.8678
303 HKK 0.8678
304 79W 0.8673
305 FX5 0.8672
306 KHP 0.8672
307 DMB 0.8671
308 OJ7 0.8671
309 3L1 0.8666
310 3WO 0.8664
311 3WN 0.8664
312 GZV 0.8663
313 7G0 0.8663
314 M83 0.8659
315 DS8 0.8659
316 0OM 0.8652
317 205 0.8651
318 5YA 0.8648
319 LZ4 0.8644
320 PE2 0.8642
321 NXY 0.8641
322 IEE 0.8639
323 16Z 0.8638
324 4KN 0.8637
325 A4D 0.8637
326 C5P 0.8637
327 NIY 0.8634
328 8GP 0.8634
329 3WK 0.8633
330 A9E 0.8632
331 FCW 0.8630
332 T7O 0.8629
333 B06 0.8627
334 MUK 0.8625
335 BC3 0.8619
336 AQ1 0.8619
337 DK4 0.8613
338 6C9 0.8612
339 3Q1 0.8611
340 5DE 0.8608
341 JNW 0.8606
342 123 0.8604
343 GPU 0.8600
344 CJZ 0.8599
345 RUG 0.8594
346 0QA 0.8593
347 D8W 0.8591
348 M08 0.8591
349 3CX 0.8590
350 4UM 0.8589
351 Q11 0.8586
352 PRH 0.8585
353 QRP 0.8585
354 KS5 0.8585
355 AX8 0.8583
356 35K 0.8581
357 334 0.8581
358 MTP 0.8569
359 5AD 0.8567
360 LVE 0.8565
361 GVI 0.8563
362 MIL 0.8560
363 GMP 0.8549
364 2OX 0.8548
365 47N 0.8531
366 0OK 0.8530
367 FMQ 0.8526
368 A3N 0.8514
369 D1G 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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