Receptor
PDB id Resolution Class Description Source Keywords
5qax 2.31 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 28 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;
A:303;
C:303;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
Q92 B:301;
D:301;
A:301;
C:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 160 uM
249.264 C16 H11 N O2 c1cc(...
CL A: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: Q92; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 Q92 1 1
2 U3M 0.565217 0.875
3 TVC 0.516667 0.714286
4 Q2S 0.461538 0.8
5 5F8 0.457627 0.857143
6 5FL 0.440678 0.857143
7 AVA 0.42623 0.904762
8 N1E 0.4 0.791667
Similar Ligands (3D)
Ligand no: 1; Ligand: Q92; Similar ligands found: 425
No: Ligand Similarity coefficient
1 0DJ 0.9744
2 GW9 0.9555
3 EEY 0.9546
4 TVZ 0.9502
5 C0V 0.9443
6 S1C 0.9440
7 AV7 0.9434
8 2QV 0.9426
9 BXS 0.9417
10 4RG 0.9397
11 U4J 0.9387
12 MT6 0.9384
13 A05 0.9368
14 3Q0 0.9356
15 797 0.9350
16 97K 0.9342
17 7G2 0.9334
18 GQZ 0.9332
19 U14 0.9319
20 1V8 0.9315
21 6QT 0.9306
22 OUG 0.9304
23 NZ4 0.9290
24 6FX 0.9288
25 IDZ 0.9286
26 2QU 0.9256
27 T21 0.9254
28 XEV 0.9251
29 28A 0.9250
30 OT4 0.9247
31 4ZF 0.9206
32 AV4 0.9203
33 DN8 0.9193
34 T5J 0.9184
35 338 0.9181
36 Z3R 0.9180
37 SZ5 0.9180
38 3F4 0.9176
39 8M5 0.9168
40 7DE 0.9165
41 LZ7 0.9163
42 L2K 0.9162
43 1HP 0.9161
44 JL7 0.9148
45 801 0.9139
46 2UV 0.9136
47 EFX 0.9136
48 28B 0.9135
49 7FZ 0.9135
50 08C 0.9134
51 NU3 0.9133
52 UV4 0.9133
53 6JO 0.9127
54 BZC 0.9124
55 LI7 0.9119
56 72G 0.9118
57 39R 0.9117
58 1UT 0.9116
59 A63 0.9112
60 GA6 0.9105
61 4CN 0.9105
62 MR5 0.9103
63 LU2 0.9100
64 06R 0.9098
65 103 0.9096
66 1UZ 0.9096
67 272 0.9095
68 DFL 0.9093
69 20D 0.9090
70 VM7 0.9087
71 WDW 0.9082
72 XZ1 0.9082
73 6F3 0.9080
74 833 0.9078
75 91F 0.9077
76 123 0.9077
77 120 0.9073
78 KU1 0.9064
79 245 0.9061
80 47V 0.9058
81 O9Q 0.9056
82 B06 0.9054
83 SU9 0.9054
84 0XR 0.9054
85 U12 0.9053
86 6BK 0.9053
87 27F 0.9051
88 1XS 0.9051
89 55H 0.9047
90 0RY 0.9047
91 RKY 0.9044
92 MR4 0.9040
93 S1D 0.9037
94 XAV 0.9035
95 BMZ 0.9035
96 WG8 0.9034
97 21E 0.9033
98 H32 0.9029
99 1FL 0.9023
100 25F 0.9022
101 XYP XYP 0.9022
102 QKU 0.9020
103 15Q 0.9017
104 EZB 0.9015
105 MR6 0.9013
106 M83 0.9013
107 1SF 0.9012
108 68C 0.9011
109 1V0 0.9011
110 6H2 0.9009
111 SNJ 0.9009
112 AO 0.9005
113 31F 0.9003
114 29F 0.8999
115 2JX 0.8998
116 ENY 0.8996
117 6JM 0.8996
118 4UM 0.8995
119 O53 0.8995
120 DUL 0.8994
121 QS4 0.8993
122 IPJ 0.8992
123 4G2 0.8989
124 27M 0.8988
125 JCQ 0.8986
126 LJ5 0.8985
127 1UR 0.8985
128 122 0.8984
129 2WF 0.8980
130 FNT 0.8976
131 BXZ 0.8975
132 1V1 0.8975
133 5M2 0.8973
134 88X 0.8972
135 FHI 0.8970
136 W2E 0.8970
137 802 0.8968
138 CR4 0.8967
139 EMU 0.8965
140 XYS XYS 0.8965
141 FHV 0.8964
142 S2X 0.8963
143 CMG 0.8961
144 7ZO 0.8960
145 CWE 0.8957
146 Q4G 0.8954
147 KWV 0.8954
148 2P3 0.8949
149 DFV 0.8946
150 2JP 0.8944
151 ESJ 0.8943
152 124 0.8942
153 U55 0.8938
154 AVX 0.8938
155 KHP 0.8936
156 IIH 0.8936
157 3Q1 0.8935
158 Q7U 0.8929
159 3TI 0.8928
160 IXM 0.8928
161 P4T 0.8928
162 L5D 0.8927
163 T34 0.8925
164 47X 0.8924
165 WCU 0.8923
166 D8B 0.8917
167 6DQ 0.8916
168 E9L 0.8915
169 6T5 0.8915
170 AGI 0.8914
171 PZX 0.8914
172 7LU 0.8911
173 23M 0.8907
174 MQR 0.8904
175 80R 0.8904
176 OUA 0.8900
177 RGK 0.8900
178 MRI 0.8900
179 UN9 0.8899
180 BBP 0.8898
181 A73 0.8897
182 B4L 0.8896
183 CC6 0.8895
184 4AU 0.8895
185 90G 0.8892
186 2ZI 0.8889
187 NAR 0.8889
188 553 0.8888
189 5ER 0.8888
190 BBY 0.8886
191 IY5 0.8884
192 CDJ 0.8882
193 041 0.8882
194 BRY 0.8880
195 HCC 0.8879
196 KK7 0.8876
197 HH6 0.8875
198 HWB 0.8874
199 LJ2 0.8874
200 JVD 0.8873
201 FBC 0.8872
202 1Q1 0.8871
203 0DF 0.8870
204 F36 0.8868
205 AJ4 0.8866
206 A64 0.8863
207 BUN 0.8863
208 4HG 0.8861
209 SJR 0.8860
210 G2V 0.8860
211 40N 0.8859
212 E98 0.8858
213 ZUF 0.8857
214 0NJ 0.8855
215 L43 0.8855
216 5VU 0.8853
217 72H 0.8852
218 IQQ 0.8851
219 UL1 0.8847
220 KMP 0.8846
221 MQS 0.8846
222 3Q2 0.8846
223 6JP 0.8846
224 C4E 0.8841
225 43G 0.8840
226 QUE 0.8840
227 PIQ 0.8839
228 SAK 0.8838
229 100 0.8837
230 0K7 0.8836
231 B7H 0.8836
232 9CE 0.8835
233 0MB 0.8835
234 581 0.8835
235 AUG 0.8834
236 4P9 0.8833
237 5TU 0.8832
238 121 0.8830
239 DQH 0.8828
240 3WL 0.8827
241 T98 0.8827
242 M3W 0.8827
243 J8D 0.8826
244 53X 0.8825
245 205 0.8824
246 0JB 0.8823
247 IRH 0.8822
248 VT3 0.8822
249 36K 0.8821
250 OLU 0.8820
251 FC2 0.8819
252 3D8 0.8818
253 35K 0.8818
254 W8L 0.8813
255 E92 0.8813
256 FX5 0.8810
257 F13 0.8808
258 101 0.8807
259 A9B 0.8807
260 9JT 0.8806
261 KVD 0.8805
262 3JC 0.8804
263 DBE 0.8804
264 3XL 0.8803
265 F40 0.8803
266 5B2 0.8803
267 JF5 0.8801
268 57D 0.8800
269 ADN 0.8796
270 AUE 0.8795
271 BGK 0.8793
272 IW4 0.8793
273 4GU 0.8790
274 697 0.8789
275 MTA 0.8788
276 GF7 0.8786
277 BX4 0.8781
278 DDC 0.8781
279 AJ6 0.8780
280 MHB 0.8779
281 196 0.8779
282 RF2 0.8778
283 8CC 0.8778
284 83D 0.8778
285 DH2 0.8777
286 3MI 0.8777
287 OJ7 0.8776
288 GN5 0.8775
289 U13 0.8774
290 STL 0.8772
291 6EN 0.8771
292 HPX 0.8771
293 5WW 0.8767
294 7EH 0.8766
295 SQM 0.8765
296 856 0.8763
297 5ZM 0.8763
298 334 0.8762
299 BVS 0.8760
300 34L 0.8760
301 PIT 0.8760
302 NE2 0.8757
303 5E5 0.8756
304 ZEA 0.8754
305 LJ1 0.8754
306 H2W 0.8754
307 IMK 0.8752
308 MBT 0.8751
309 5YA 0.8751
310 0RA 0.8751
311 TJM 0.8749
312 VAO 0.8748
313 EAT 0.8747
314 0FZ 0.8743
315 2LW 0.8740
316 7FC 0.8738
317 IXG 0.8735
318 OSY 0.8733
319 38E 0.8733
320 22M 0.8732
321 THM 0.8732
322 1AJ 0.8730
323 FSE 0.8730
324 BGC BGC 0.8730
325 NVS 0.8727
326 AHR AHR 0.8726
327 F18 0.8726
328 STV 0.8725
329 MYU 0.8725
330 Q11 0.8724
331 FDZ 0.8722
332 4AJ 0.8718
333 WLH 0.8718
334 9XZ 0.8715
335 X8E 0.8715
336 BNY 0.8713
337 FLF 0.8712
338 FTK 0.8711
339 Q9T 0.8710
340 A9E 0.8704
341 0UL 0.8703
342 P2L 0.8702
343 JVB 0.8695
344 7L4 0.8694
345 CMP 0.8692
346 108 0.8689
347 18E 0.8688
348 BHF 0.8687
349 IK1 0.8687
350 H35 0.8686
351 PCQ 0.8686
352 53N 0.8683
353 FL8 0.8680
354 NW1 0.8679
355 A0R 0.8678
356 0SY 0.8675
357 D25 0.8669
358 AUV 0.8669
359 517 0.8668
360 JZ8 0.8667
361 39Z 0.8667
362 5P7 0.8665
363 7VF 0.8662
364 BVB 0.8661
365 5P3 0.8660
366 ECZ 0.8658
367 8E3 0.8658
368 6B5 0.8653
369 AP6 0.8653
370 QRP 0.8652
371 0H5 0.8649
372 5BX 0.8646
373 PE2 0.8646
374 K4T 0.8643
375 6TJ 0.8642
376 EUN 0.8641
377 F08 0.8640
378 7G0 0.8640
379 AX1 0.8638
380 01I 0.8638
381 9K2 0.8637
382 8UY 0.8636
383 QRN 0.8633
384 E3U 0.8633
385 S16 0.8631
386 K8W 0.8631
387 TCW 0.8629
388 3SU 0.8626
389 KCH 0.8623
390 BJ4 0.8622
391 4B8 0.8619
392 NE1 0.8616
393 JBB 0.8616
394 PNJ 0.8613
395 RSV 0.8607
396 4NR 0.8602
397 3G5 0.8600
398 PRL 0.8599
399 IQW 0.8599
400 P34 0.8598
401 Q0K 0.8592
402 P4L 0.8591
403 MRE 0.8589
404 5S9 0.8585
405 NAB 0.8580
406 7XX 0.8577
407 DMB 0.8576
408 WVV 0.8573
409 IW6 0.8572
410 S0A 0.8565
411 MBE 0.8563
412 KS5 0.8562
413 T3P 0.8561
414 79X 0.8560
415 E8Z 0.8559
416 6ZE 0.8550
417 DZ2 0.8548
418 BO1 0.8548
419 4EU 0.8547
420 3RL 0.8544
421 6J3 0.8543
422 UUL 0.8540
423 5KN 0.8538
424 GUS 0.8535
425 1ER 0.8524
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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