Receptor
PDB id Resolution Class Description Source Keywords
5QAW 2.2 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 27 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
CL B:301;
A:302;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
TVC D:301;
C:301;
A:301;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 400 uM
248.276 C17 H12 O2 c1ccc...
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: TVC; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 TVC 1 1
2 IQQ 0.54 0.7
3 Q2S 0.517241 0.625
4 Q92 0.516667 0.714286
5 JSX 0.5 0.7
6 L5D 0.5 0.8125
7 Q4G 0.5 0.736842
8 VBC 0.5 0.608696
9 S1D 0.5 0.736842
10 EFX 0.481481 0.619048
11 U4J 0.472727 0.636364
12 QKU 0.472727 0.619048
13 5FL 0.471698 0.65
14 XEV 0.464286 0.636364
15 5F8 0.462963 0.65
16 AUV 0.421053 0.636364
17 AVA 0.403509 0.619048
Similar Ligands (3D)
Ligand no: 1; Ligand: TVC; Similar ligands found: 432
No: Ligand Similarity coefficient
1 0DJ 0.9753
2 EEY 0.9558
3 GW9 0.9557
4 C0V 0.9542
5 BXS 0.9499
6 AV7 0.9453
7 797 0.9453
8 S1C 0.9442
9 TVZ 0.9431
10 2QV 0.9417
11 GQZ 0.9393
12 OUG 0.9367
13 3Q0 0.9358
14 WG8 0.9340
15 97K 0.9339
16 6QT 0.9326
17 OUA 0.9322
18 NZ4 0.9321
19 1V8 0.9321
20 A05 0.9319
21 7G2 0.9319
22 MT6 0.9304
23 4RG 0.9301
24 6FX 0.9299
25 U14 0.9297
26 T21 0.9271
27 IDZ 0.9271
28 2QU 0.9269
29 AV4 0.9238
30 338 0.9222
31 OT4 0.9218
32 28A 0.9204
33 UV4 0.9194
34 EZB 0.9186
35 SZ5 0.9175
36 KHP 0.9172
37 3F4 0.9166
38 GA6 0.9165
39 L2K 0.9163
40 4ZF 0.9161
41 CX5 0.9160
42 6JO 0.9159
43 7ZO 0.9156
44 28B 0.9156
45 7DE 0.9152
46 T5J 0.9152
47 8M5 0.9150
48 1HP 0.9149
49 Z3R 0.9146
50 LZ7 0.9146
51 Q7U 0.9144
52 DN8 0.9143
53 ENY 0.9141
54 72G 0.9137
55 S2X 0.9131
56 1UT 0.9126
57 SU9 0.9120
58 NU3 0.9116
59 JL7 0.9116
60 4CN 0.9113
61 A63 0.9113
62 801 0.9113
63 1UZ 0.9106
64 2UV 0.9105
65 123 0.9101
66 08C 0.9101
67 06R 0.9101
68 68C 0.9099
69 272 0.9098
70 VM7 0.9098
71 FHI 0.9098
72 1UR 0.9096
73 6T5 0.9095
74 1SF 0.9092
75 EMU 0.9091
76 WDW 0.9091
77 LU2 0.9082
78 JCQ 0.9082
79 MR5 0.9078
80 DFL 0.9077
81 91F 0.9077
82 20D 0.9070
83 XZ1 0.9067
84 U12 0.9067
85 2P3 0.9062
86 MQS 0.9059
87 833 0.9056
88 P4T 0.9050
89 120 0.9045
90 245 0.9044
91 103 0.9043
92 O9Q 0.9042
93 6F3 0.9039
94 55H 0.9038
95 47V 0.9038
96 KU1 0.9037
97 BZC 0.9037
98 MR4 0.9036
99 21E 0.9034
100 100 0.9033
101 0XR 0.9033
102 1XS 0.9030
103 7FZ 0.9030
104 25F 0.9026
105 BMZ 0.9023
106 DUL 0.9020
107 31F 0.9019
108 RKY 0.9013
109 6JM 0.9012
110 H32 0.9012
111 WCU 0.9012
112 XYP XYP 0.9011
113 29F 0.9010
114 1V0 0.9009
115 6H2 0.9007
116 7LU 0.9007
117 MR6 0.9006
118 O53 0.9004
119 BRY 0.9002
120 4UM 0.9002
121 27M 0.9000
122 XAV 0.8999
123 4G2 0.8998
124 U55 0.8997
125 AJ4 0.8993
126 0RY 0.8991
127 5M2 0.8991
128 2JX 0.8991
129 QS4 0.8988
130 6BK 0.8987
131 5P7 0.8987
132 B06 0.8985
133 JVD 0.8984
134 W2E 0.8984
135 802 0.8982
136 88X 0.8982
137 27F 0.8979
138 AUG 0.8979
139 39R 0.8977
140 IPJ 0.8977
141 2WF 0.8975
142 B4L 0.8973
143 122 0.8973
144 BXZ 0.8972
145 IXM 0.8970
146 34L 0.8970
147 1V1 0.8970
148 80R 0.8968
149 BGK 0.8963
150 FNT 0.8960
151 15Q 0.8960
152 5YA 0.8958
153 1FL 0.8958
154 47X 0.8957
155 CMG 0.8955
156 XYS XYS 0.8950
157 FHV 0.8947
158 581 0.8947
159 CR4 0.8944
160 A73 0.8943
161 A64 0.8941
162 UN9 0.8939
163 ESJ 0.8938
164 3TI 0.8937
165 JBB 0.8935
166 4HG 0.8934
167 36K 0.8931
168 124 0.8926
169 Q11 0.8923
170 AGI 0.8919
171 DFV 0.8917
172 AVX 0.8916
173 FX5 0.8914
174 E9L 0.8910
175 553 0.8908
176 KWV 0.8907
177 MRI 0.8907
178 101 0.8902
179 23M 0.8901
180 NAB 0.8900
181 EUN 0.8900
182 AO 0.8900
183 F36 0.8897
184 90G 0.8897
185 IIH 0.8892
186 KMP 0.8888
187 IY5 0.8887
188 CC6 0.8886
189 72H 0.8885
190 5ER 0.8884
191 2JP 0.8884
192 OJ7 0.8883
193 041 0.8882
194 FSE 0.8881
195 1Q1 0.8881
196 PZX 0.8878
197 MQR 0.8878
198 VAO 0.8877
199 SNJ 0.8877
200 GF7 0.8877
201 CDJ 0.8876
202 CWE 0.8875
203 D8B 0.8873
204 BNY 0.8872
205 L43 0.8870
206 KVD 0.8868
207 HWB 0.8868
208 ZUF 0.8865
209 2ZI 0.8864
210 4AU 0.8863
211 BBY 0.8863
212 J8D 0.8860
213 HH6 0.8860
214 3Q1 0.8858
215 LJ2 0.8855
216 G2V 0.8854
217 P2L 0.8854
218 AUE 0.8854
219 5TU 0.8852
220 40N 0.8852
221 SJR 0.8851
222 KK7 0.8851
223 T98 0.8848
224 LJ5 0.8846
225 HCC 0.8845
226 RGK 0.8844
227 JF5 0.8843
228 QUE 0.8843
229 NAR 0.8840
230 X8E 0.8839
231 5VU 0.8838
232 196 0.8838
233 SAK 0.8838
234 LZ4 0.8837
235 FBC 0.8837
236 0DF 0.8836
237 F13 0.8835
238 E98 0.8835
239 6DQ 0.8835
240 7XX 0.8835
241 H35 0.8834
242 121 0.8834
243 0RA 0.8831
244 PIQ 0.8827
245 53X 0.8826
246 7VF 0.8825
247 IRH 0.8825
248 FC2 0.8824
249 4P9 0.8823
250 35K 0.8821
251 9CE 0.8819
252 0MB 0.8819
253 WLH 0.8817
254 KCH 0.8816
255 1AJ 0.8816
256 0K7 0.8813
257 C4E 0.8813
258 DQH 0.8813
259 6JP 0.8812
260 M3W 0.8812
261 OLU 0.8808
262 0NJ 0.8807
263 VT3 0.8805
264 PNW 0.8801
265 FLF 0.8801
266 JVB 0.8800
267 T34 0.8799
268 697 0.8799
269 3WL 0.8797
270 F40 0.8796
271 E92 0.8796
272 DBE 0.8794
273 4GU 0.8793
274 3JC 0.8791
275 9JT 0.8790
276 BX4 0.8788
277 0H5 0.8785
278 0UL 0.8784
279 SQM 0.8782
280 IXG 0.8782
281 3XL 0.8781
282 3MI 0.8781
283 5B2 0.8780
284 AJ6 0.8780
285 MHB 0.8779
286 0JB 0.8777
287 856 0.8776
288 IW4 0.8773
289 83D 0.8772
290 57D 0.8770
291 205 0.8769
292 STL 0.8768
293 W8L 0.8768
294 DDC 0.8768
295 BGC BGC 0.8765
296 3Q2 0.8761
297 6EN 0.8760
298 HPX 0.8760
299 TJM 0.8760
300 A9B 0.8760
301 FT1 0.8758
302 FL9 0.8755
303 DMB 0.8755
304 PIT 0.8754
305 IMK 0.8753
306 8E3 0.8752
307 7EH 0.8752
308 5E5 0.8751
309 X2M 0.8750
310 NE2 0.8749
311 1ZC 0.8745
312 53N 0.8745
313 2LW 0.8741
314 H2W 0.8741
315 22M 0.8737
316 MYU 0.8737
317 PNJ 0.8737
318 JE7 0.8737
319 5BX 0.8735
320 J8G 0.8734
321 HPK 0.8729
322 4AJ 0.8729
323 1Q2 0.8726
324 8UY 0.8726
325 B7H 0.8726
326 DH2 0.8723
327 EAT 0.8722
328 BBP 0.8721
329 ZEA 0.8720
330 OSY 0.8719
331 5WW 0.8719
332 43G 0.8718
333 FTK 0.8715
334 A9E 0.8713
335 7FC 0.8713
336 334 0.8710
337 38E 0.8706
338 7L4 0.8705
339 THM 0.8704
340 BHF 0.8700
341 F18 0.8700
342 WVV 0.8698
343 MRE 0.8694
344 BO1 0.8694
345 U13 0.8691
346 FL8 0.8689
347 147 0.8689
348 8CC 0.8687
349 TIZ 0.8687
350 IK1 0.8681
351 1V3 0.8681
352 K4T 0.8681
353 H0V 0.8681
354 QRN 0.8679
355 9K2 0.8675
356 4EU 0.8675
357 PCQ 0.8674
358 LJ1 0.8673
359 K8W 0.8670
360 39Z 0.8669
361 KS5 0.8666
362 MYC 0.8666
363 Q9T 0.8665
364 UN4 0.8665
365 NW1 0.8664
366 AP6 0.8663
367 XYS XYP 0.8662
368 UUL 0.8662
369 JZ8 0.8660
370 F08 0.8659
371 YE6 0.8659
372 3SU 0.8653
373 5ZM 0.8653
374 ECZ 0.8651
375 GVI 0.8648
376 D25 0.8647
377 TCW 0.8646
378 5P3 0.8644
379 RF2 0.8643
380 MBE 0.8643
381 S16 0.8642
382 YEX 0.8642
383 FDZ 0.8638
384 AX1 0.8638
385 6B5 0.8637
386 C3G 0.8635
387 3D8 0.8635
388 PE2 0.8633
389 E3U 0.8632
390 7G0 0.8631
391 QRP 0.8630
392 D59 0.8630
393 A0R 0.8626
394 ZT2 0.8625
395 IW1 0.8624
396 5S9 0.8620
397 68B 0.8618
398 NE1 0.8614
399 P4L 0.8613
400 T61 0.8612
401 Q0K 0.8611
402 6TJ 0.8610
403 ESM 0.8609
404 GT2 0.8607
405 BJ4 0.8607
406 658 0.8606
407 IEE 0.8605
408 RSV 0.8605
409 517 0.8605
410 0SY 0.8604
411 BGC GAL 0.8598
412 108 0.8597
413 6U5 0.8597
414 E8Z 0.8588
415 1V4 0.8587
416 NB7 0.8586
417 ZRL 0.8584
418 CMP 0.8580
419 ZEZ 0.8579
420 TMP 0.8577
421 3G5 0.8571
422 5AD 0.8569
423 BIT 0.8555
424 0SX 0.8552
425 BL7 0.8551
426 JFS 0.8550
427 T3P 0.8549
428 1ER 0.8546
429 3RL 0.8542
430 6J3 0.8535
431 DZ3 0.8530
432 UMP 0.8518
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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