Receptor
PDB id Resolution Class Description Source Keywords
5QAL 1.95 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 11B 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 B:302;
A:303;
C:305;
A:302;
C:304;
D:303;
C:303;
D:304;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
TVZ B:301;
D:301;
A:301;
C:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 350 uM
241.242 C14 H11 N O3 c1cc(...
CL D:302;
C: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: TVZ; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 TVZ 1 1
2 VBC 0.681818 0.703704
3 S1C 0.557692 0.821429
4 CVF 0.517241 0.676471
5 AV7 0.446429 0.821429
6 LQ2 0.428571 0.875
7 QIU 0.419355 0.676471
Similar Ligands (3D)
Ligand no: 1; Ligand: TVZ; Similar ligands found: 367
No: Ligand Similarity coefficient
1 U4J 0.9669
2 A05 0.9561
3 72G 0.9535
4 Q92 0.9502
5 1UT 0.9445
6 TVC 0.9431
7 08C 0.9427
8 A64 0.9415
9 JL7 0.9395
10 O53 0.9392
11 97K 0.9384
12 F36 0.9357
13 JFS 0.9357
14 1UR 0.9348
15 1V0 0.9347
16 F08 0.9333
17 RGK 0.9317
18 L43 0.9307
19 XAV 0.9286
20 5YA 0.9286
21 3Q0 0.9284
22 2UV 0.9280
23 JSX 0.9270
24 A63 0.9268
25 EEY 0.9254
26 W2E 0.9253
27 91F 0.9249
28 IDZ 0.9238
29 BX4 0.9233
30 NKI 0.9231
31 GW9 0.9225
32 31F 0.9221
33 0K7 0.9218
34 1SF 0.9213
35 KVD 0.9211
36 A9B 0.9209
37 06R 0.9208
38 GF7 0.9208
39 S1D 0.9206
40 1FL 0.9205
41 T21 0.9203
42 6FX 0.9199
43 1UZ 0.9195
44 NZ4 0.9195
45 3CA 0.9194
46 338 0.9192
47 A45 0.9192
48 4RG 0.9192
49 Q2S 0.9190
50 BVS 0.9187
51 801 0.9170
52 LZ7 0.9170
53 1V8 0.9170
54 2ZI 0.9163
55 HH6 0.9162
56 BMC 0.9156
57 20D 0.9154
58 124 0.9154
59 FBC 0.9140
60 CR4 0.9137
61 IY5 0.9131
62 GA6 0.9126
63 DFL 0.9115
64 7DE 0.9111
65 A9E 0.9109
66 GQZ 0.9107
67 29F 0.9104
68 28A 0.9103
69 27F 0.9100
70 1HP 0.9097
71 122 0.9096
72 A73 0.9095
73 5WW 0.9094
74 E9L 0.9087
75 856 0.9086
76 W8L 0.9084
77 ESJ 0.9082
78 U55 0.9078
79 MT6 0.9074
80 J1K 0.9071
81 B7H 0.9070
82 25F 0.9070
83 GN5 0.9064
84 GVI 0.9064
85 OJ7 0.9064
86 797 0.9062
87 8UY 0.9058
88 MZR 0.9056
89 FHI 0.9056
90 NU3 0.9054
91 5TU 0.9054
92 121 0.9052
93 1UW 0.9047
94 802 0.9045
95 6T5 0.9041
96 1V1 0.9036
97 AWE 0.9032
98 72H 0.9027
99 VT3 0.9026
100 272 0.9025
101 M3W 0.9021
102 6H2 0.9021
103 1Q1 0.9020
104 3G5 0.9020
105 SZ5 0.9016
106 WLH 0.9014
107 G2V 0.9013
108 7G2 0.9012
109 BXS 0.9008
110 9C8 0.9008
111 5R9 0.9006
112 3F4 0.9000
113 0DJ 0.9000
114 4ZF 0.8998
115 47V 0.8996
116 AGI 0.8994
117 WDW 0.8987
118 IPJ 0.8985
119 U14 0.8983
120 NAR 0.8982
121 H2W 0.8979
122 NPZ 0.8979
123 CDJ 0.8978
124 7FC 0.8974
125 28B 0.8973
126 6P3 0.8971
127 1XS 0.8970
128 90G 0.8965
129 BMZ 0.8964
130 1KN 0.8955
131 3K1 0.8952
132 KU1 0.8952
133 C0V 0.8947
134 UV4 0.8945
135 PNW 0.8944
136 DUL 0.8942
137 F18 0.8940
138 WF4 0.8940
139 ZEA 0.8939
140 JBB 0.8939
141 Y27 0.8939
142 LU2 0.8938
143 OLU 0.8935
144 U13 0.8934
145 O9T 0.8926
146 RYJ 0.8925
147 NBZ GLA 0.8922
148 Q0K 0.8921
149 8M5 0.8920
150 HPX 0.8917
151 PQM 0.8916
152 GOW 0.8916
153 DFV 0.8914
154 WCU 0.8913
155 47X 0.8912
156 FNT 0.8907
157 6JM 0.8903
158 WG8 0.8896
159 334 0.8896
160 7FZ 0.8894
161 5FL 0.8894
162 N5B 0.8893
163 LVY 0.8892
164 L2K 0.8891
165 TH1 0.8890
166 ECZ 0.8888
167 8V8 0.8888
168 JKN 0.8887
169 6F3 0.8886
170 FHV 0.8882
171 XEV 0.8879
172 CX5 0.8879
173 OUA 0.8877
174 SJR 0.8871
175 MRE 0.8870
176 4K2 0.8865
177 15Q 0.8862
178 XYP XYP 0.8861
179 U12 0.8861
180 Y3J 0.8861
181 U32 0.8854
182 3TI 0.8853
183 4CN 0.8851
184 BGK 0.8849
185 123 0.8849
186 6QX 0.8849
187 57U 0.8847
188 5F8 0.8847
189 5FD 0.8844
190 907 0.8844
191 4HG 0.8844
192 CWE 0.8843
193 LLG 0.8843
194 J45 0.8840
195 KHP 0.8838
196 0FZ 0.8835
197 IMK 0.8834
198 VIB 0.8834
199 AD6 0.8831
200 F1T 0.8831
201 ADN 0.8830
202 5M2 0.8825
203 KWV 0.8815
204 A8D 0.8814
205 68C 0.8813
206 4AU 0.8807
207 NOC 0.8800
208 ARJ 0.8800
209 AJ6 0.8799
210 Q19 0.8797
211 DBE 0.8791
212 F40 0.8791
213 D64 0.8791
214 108 0.8788
215 ZTW 0.8787
216 OSY 0.8784
217 PNJ 0.8779
218 GJG 0.8779
219 AJ8 0.8779
220 A26 0.8778
221 ML1 0.8778
222 27M 0.8777
223 3JC 0.8776
224 6BK 0.8776
225 XYS XYS 0.8776
226 5R8 0.8775
227 J8D 0.8774
228 CMG 0.8773
229 55H 0.8771
230 S0D 0.8771
231 3WL 0.8767
232 26A 0.8763
233 QTJ 0.8760
234 103 0.8757
235 IQW 0.8754
236 2JX 0.8754
237 0NJ 0.8750
238 MTA 0.8749
239 83D 0.8748
240 HV4 0.8744
241 40W 0.8744
242 BMU 0.8743
243 0DF 0.8736
244 MTP 0.8736
245 6XC 0.8733
246 2OX 0.8733
247 1VG 0.8732
248 3WJ 0.8730
249 FT3 0.8730
250 4NR 0.8729
251 TFX 0.8729
252 5DE 0.8728
253 6WU 0.8722
254 BXZ 0.8721
255 72E 0.8720
256 MQR 0.8720
257 L5D 0.8719
258 XZ1 0.8719
259 23M 0.8718
260 KMP 0.8718
261 5N5 0.8718
262 AVA 0.8716
263 6DQ 0.8715
264 BRY 0.8714
265 NVS 0.8714
266 EAT 0.8713
267 5F1 0.8712
268 6SD 0.8709
269 T61 0.8703
270 Q4G 0.8701
271 QS4 0.8700
272 90M 0.8699
273 AUV 0.8697
274 NXY 0.8695
275 AJ4 0.8694
276 M16 0.8693
277 SNJ 0.8693
278 7VF 0.8691
279 T5J 0.8691
280 147 0.8690
281 4MP 0.8689
282 6JP 0.8684
283 JTE 0.8680
284 IEE 0.8680
285 FT2 0.8678
286 E92 0.8678
287 4EU 0.8676
288 WVV 0.8674
289 SAK 0.8673
290 FZB 0.8672
291 STL 0.8672
292 IQQ 0.8671
293 QTK 0.8671
294 65W 0.8668
295 PQS 0.8666
296 E98 0.8665
297 1V4 0.8665
298 57D 0.8661
299 MI2 0.8660
300 WA2 0.8660
301 BUN 0.8658
302 P2L 0.8656
303 FSE 0.8655
304 7L4 0.8653
305 ZRK 0.8649
306 HWH 0.8648
307 FT1 0.8648
308 AD3 0.8647
309 L8N 0.8646
310 32F 0.8643
311 EZB 0.8642
312 IXM 0.8641
313 0XR 0.8639
314 35G 0.8635
315 HPK 0.8635
316 5CD 0.8631
317 JZ8 0.8630
318 NOS 0.8629
319 TI7 0.8626
320 26C 0.8624
321 T34 0.8622
322 NIY 0.8622
323 5E5 0.8617
324 ERZ 0.8616
325 5CJ 0.8612
326 DXK 0.8612
327 3AD 0.8608
328 0MB 0.8606
329 9CE 0.8605
330 5P7 0.8603
331 J5Z 0.8602
332 5O6 0.8602
333 J3B 0.8600
334 P4L 0.8598
335 5VU 0.8597
336 GT2 0.8596
337 DDC 0.8595
338 VGV 0.8593
339 4FF 0.8592
340 JFZ 0.8591
341 1V3 0.8587
342 QTD 0.8585
343 72D 0.8583
344 D8B 0.8581
345 8OB 0.8580
346 Q5M 0.8580
347 0H5 0.8575
348 92G 0.8575
349 4UM 0.8572
350 42R 0.8570
351 NE1 0.8569
352 HWB 0.8566
353 2D2 0.8565
354 MRI 0.8565
355 J84 0.8562
356 FMQ 0.8560
357 Y70 0.8559
358 9FG 0.8554
359 F5N 0.8554
360 2QU 0.8549
361 TCL 0.8543
362 FQY 0.8540
363 PNG 0.8527
364 FB4 0.8526
365 C2M 0.8526
366 DQH 0.8517
367 J27 0.8510
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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