Receptor
PDB id Resolution Class Description Source Keywords
5QAY 1.7 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 32 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 D:302;
B:303;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
X6P C:301;
D:301;
A:301;
B:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 590 uM
201.221 C12 H11 N O2 Cn1cc...
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: X6P; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 X6P 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: X6P; Similar ligands found: 510
No: Ligand Similarity coefficient
1 TI7 0.9826
2 AVA 0.9771
3 WVV 0.9755
4 AUV 0.9699
5 5F5 0.9658
6 5F8 0.9604
7 1ER 0.9574
8 5FL 0.9563
9 Q4G 0.9492
10 3C5 0.9457
11 IQQ 0.9456
12 U7E 0.9438
13 49P 0.9435
14 L5D 0.9428
15 K48 0.9403
16 VM1 0.9377
17 YE6 0.9374
18 9UL 0.9362
19 EAJ 0.9347
20 1SF 0.9340
21 TIA 0.9331
22 NIR 0.9325
23 S1D 0.9322
24 XI7 0.9320
25 RVE 0.9316
26 0OL 0.9315
27 H7S 0.9305
28 KWB 0.9298
29 D3G 0.9296
30 36Z 0.9296
31 TRP 0.9293
32 B2T 0.9292
33 D2G 0.9288
34 RKV 0.9286
35 6J9 0.9285
36 6HO 0.9285
37 3GV 0.9280
38 FCD 0.9252
39 4Z9 0.9239
40 KYN 0.9233
41 XDK 0.9231
42 6HX 0.9230
43 DTR 0.9225
44 LFQ 0.9221
45 VBC 0.9215
46 JSX 0.9199
47 CUT 0.9199
48 LL1 0.9197
49 FPL 0.9193
50 0LO 0.9191
51 NIY 0.9191
52 4FF 0.9187
53 MJ5 0.9171
54 46P 0.9170
55 DXK 0.9167
56 AED 0.9166
57 3VW 0.9161
58 BP3 0.9159
59 5C1 0.9141
60 B4O 0.9141
61 LTN 0.9138
62 G14 0.9134
63 D1G 0.9132
64 5B2 0.9131
65 C0W 0.9131
66 1FL 0.9131
67 363 0.9129
68 EWG 0.9128
69 BZQ 0.9122
70 R20 0.9121
71 MEX 0.9118
72 CH8 0.9110
73 SOV 0.9107
74 5P3 0.9105
75 PZ8 0.9104
76 0OY 0.9100
77 2GD 0.9099
78 C0H 0.9097
79 0F9 0.9096
80 TCC 0.9095
81 L5V 0.9094
82 L98 0.9093
83 KCH 0.9087
84 FTV 0.9085
85 BPY 0.9083
86 MIL 0.9079
87 S2T 0.9078
88 M5H 0.9077
89 3CA 0.9076
90 78U 0.9072
91 BZE 0.9070
92 CUQ 0.9070
93 0K7 0.9067
94 MNP 0.9066
95 9FH 0.9066
96 EV2 0.9061
97 22F 0.9061
98 CK2 0.9058
99 CC5 0.9058
100 22L 0.9054
101 L1T 0.9053
102 2D2 0.9051
103 7O4 0.9048
104 R9G 0.9044
105 B41 0.9044
106 M5E 0.9039
107 HQJ 0.9038
108 NAL 0.9025
109 KF5 0.9024
110 5AD 0.9022
111 AVO 0.9021
112 TZM 0.9019
113 4E5 0.9011
114 XEV 0.9011
115 96R 0.9009
116 9PL 0.9008
117 ZZA 0.9008
118 M3E 0.9004
119 GN6 0.9004
120 PDC 0.9003
121 CSN 0.8997
122 7ZL 0.8997
123 7L4 0.8995
124 BQ5 0.8989
125 CK1 0.8989
126 C53 0.8988
127 1U7 0.8984
128 LEL 0.8980
129 SQV 0.8979
130 FHI 0.8978
131 WOE 0.8975
132 6TZ 0.8974
133 VXX 0.8974
134 5TZ 0.8974
135 0QW 0.8970
136 2JX 0.8965
137 KP2 0.8961
138 U2Z 0.8961
139 3IL 0.8960
140 W29 0.8958
141 IOS 0.8957
142 ONR 0.8953
143 GLR 0.8953
144 QMS 0.8952
145 79W 0.8952
146 TT4 0.8946
147 27M 0.8944
148 TQL 0.8943
149 ZIQ 0.8942
150 4EU 0.8939
151 96Z 0.8938
152 89J 0.8937
153 CUH 0.8937
154 AOJ 0.8930
155 DUR 0.8930
156 977 0.8929
157 FT6 0.8929
158 TCL 0.8927
159 6NZ 0.8926
160 L13 0.8926
161 54E 0.8924
162 UN3 0.8919
163 FCW 0.8918
164 HLP 0.8917
165 TQU 0.8914
166 36M 0.8912
167 BP7 0.8910
168 VJJ 0.8906
169 N2Y 0.8904
170 3TC 0.8898
171 28A 0.8897
172 FB4 0.8893
173 ATX 0.8890
174 M1Z 0.8889
175 S7G 0.8886
176 MZM 0.8886
177 U4J 0.8882
178 EQW 0.8882
179 1VK 0.8882
180 5AE 0.8881
181 2P3 0.8880
182 38B 0.8879
183 0GA 0.8878
184 CTN 0.8878
185 QKU 0.8878
186 XEN 0.8874
187 TR7 0.8874
188 1OH 0.8874
189 4FP 0.8873
190 F16 0.8872
191 THM 0.8872
192 YTX 0.8870
193 EYJ 0.8870
194 S46 0.8869
195 F40 0.8865
196 THU 0.8863
197 5E5 0.8862
198 BBY 0.8861
199 DXG 0.8860
200 NLA 0.8857
201 25O 0.8854
202 92G 0.8852
203 A7Q 0.8851
204 JFS 0.8851
205 OA1 0.8851
206 0QA 0.8850
207 N3W 0.8850
208 YZM 0.8845
209 F63 0.8844
210 NLQ 0.8843
211 PD2 0.8842
212 X48 0.8839
213 TIZ 0.8839
214 NLG 0.8839
215 SV4 0.8839
216 LWS 0.8839
217 IQ5 0.8839
218 TJM 0.8838
219 AZY 0.8837
220 CE2 0.8837
221 BY5 0.8835
222 T2D 0.8834
223 FC2 0.8834
224 7I2 0.8831
225 SAF 0.8831
226 463 0.8831
227 M3Q 0.8831
228 B2Y 0.8830
229 QLI 0.8829
230 3SU 0.8829
231 X29 0.8829
232 1L5 0.8828
233 NWD 0.8825
234 3QO 0.8824
235 OKM 0.8821
236 YIE 0.8820
237 DCN 0.8819
238 A9O 0.8819
239 URI 0.8817
240 IOP 0.8817
241 JRB 0.8816
242 7R4 0.8815
243 3EB 0.8813
244 6DP 0.8812
245 ZME 0.8811
246 8NX 0.8811
247 HJH 0.8809
248 GZ2 0.8807
249 DAH 0.8806
250 5LD 0.8806
251 ODK 0.8805
252 11X 0.8804
253 0NX 0.8803
254 BXZ 0.8803
255 DBE 0.8802
256 SSY 0.8802
257 9BF 0.8802
258 7VF 0.8801
259 2O6 0.8801
260 4NR 0.8800
261 XIF XYP 0.8799
262 AMR 0.8797
263 2JM 0.8796
264 2J3 0.8796
265 8OE 0.8796
266 8OB 0.8794
267 1Z8 0.8793
268 IQW 0.8792
269 2F6 0.8788
270 7UZ 0.8787
271 FNA 0.8783
272 I2E 0.8783
273 1WC 0.8782
274 XZ8 0.8782
275 ZEA 0.8777
276 XRX 0.8774
277 K80 0.8773
278 XFE 0.8771
279 S0G 0.8771
280 MER 0.8770
281 A9K 0.8766
282 BP6 0.8766
283 JCZ 0.8765
284 3RP 0.8764
285 CH9 0.8763
286 HNK 0.8761
287 4GU 0.8759
288 92O 0.8759
289 FMQ 0.8758
290 IMH 0.8758
291 NOS 0.8758
292 54X 0.8758
293 5GT 0.8757
294 GXG 0.8756
295 5BT 0.8756
296 8GK 0.8755
297 ADN 0.8754
298 848 0.8753
299 9GP 0.8753
300 HIC 0.8750
301 657 0.8750
302 78Y 0.8747
303 DBS 0.8745
304 J4K 0.8744
305 B86 0.8743
306 2KU 0.8742
307 NNR 0.8742
308 GCO 0.8740
309 DDU 0.8740
310 MDR 0.8738
311 LJ3 0.8737
312 HA6 0.8736
313 MMS 0.8736
314 AZM 0.8735
315 5I5 0.8735
316 7MW 0.8733
317 DE3 0.8733
318 H48 0.8733
319 0DN 0.8733
320 TBN 0.8732
321 9FG 0.8732
322 FMB 0.8730
323 FWD 0.8728
324 H70 0.8725
325 3B4 0.8724
326 IYR 0.8724
327 ERZ 0.8723
328 YIH 0.8723
329 CFA 0.8723
330 28B 0.8722
331 ZON 0.8721
332 GGB 0.8720
333 FT1 0.8719
334 AJD 0.8718
335 67Y 0.8717
336 56D 0.8716
337 AVX 0.8714
338 PBQ 0.8714
339 N1E 0.8713
340 XRS 0.8713
341 TYR 0.8712
342 SOJ 0.8711
343 NAG 0.8710
344 61O 0.8710
345 KFN 0.8710
346 4I8 0.8708
347 3D1 0.8708
348 IAC 0.8708
349 3YQ 0.8706
350 LTT 0.8706
351 GNR 0.8705
352 JO5 0.8703
353 FMC 0.8702
354 HSA 0.8702
355 ZMG 0.8701
356 DCZ 0.8699
357 HBI 0.8699
358 5VL 0.8698
359 NBG 0.8697
360 VAO 0.8696
361 ID2 0.8695
362 CWD 0.8695
363 TCR 0.8693
364 S0F 0.8691
365 KDG 0.8690
366 CTE 0.8689
367 A6H 0.8687
368 4AB 0.8687
369 GNW 0.8687
370 5E4 0.8687
371 CR1 0.8687
372 FM1 0.8686
373 HJ8 0.8684
374 OCZ 0.8683
375 EYV 0.8683
376 ID8 0.8682
377 NPA 0.8682
378 SSC 0.8682
379 LJ4 0.8681
380 5OF 0.8681
381 MCY 0.8680
382 ISC 0.8679
383 XYP XIF 0.8677
384 RE4 0.8675
385 5O5 0.8674
386 ELH 0.8673
387 14W 0.8672
388 6R8 0.8672
389 JF6 0.8671
390 6ZX 0.8670
391 LVY 0.8670
392 HX8 0.8670
393 BWD 0.8670
394 PW1 0.8669
395 3DT 0.8669
396 61M 0.8668
397 6PB 0.8668
398 S0E 0.8668
399 7Q1 0.8667
400 LP8 0.8665
401 42R 0.8665
402 BZM 0.8664
403 Q8G 0.8664
404 EYY 0.8664
405 K3Y 0.8661
406 549 0.8660
407 3L1 0.8658
408 EZN 0.8658
409 HA5 0.8657
410 I5A 0.8656
411 92P 0.8655
412 069 0.8654
413 ZYW 0.8653
414 JZA 0.8651
415 XYP XYP 0.8651
416 GVG 0.8651
417 0OK 0.8650
418 Q8D 0.8650
419 MS0 0.8650
420 ALA GLN 0.8650
421 QME 0.8649
422 7QS 0.8649
423 ARG 0.8649
424 NQM 0.8647
425 RD4 0.8644
426 4V2 0.8644
427 DEW 0.8644
428 G30 0.8641
429 A4G 0.8640
430 BQ2 0.8640
431 GXD 0.8639
432 QZ8 0.8639
433 6DE 0.8638
434 6J3 0.8636
435 5V7 0.8636
436 HJ7 0.8635
437 XYA 0.8635
438 SRO 0.8633
439 QR2 0.8631
440 3CR 0.8630
441 A4N 0.8630
442 6DQ 0.8628
443 RFZ 0.8628
444 1FF 0.8627
445 2LX 0.8626
446 3WJ 0.8625
447 SKF 0.8623
448 5GV 0.8620
449 0OP 0.8620
450 S3P 0.8620
451 2LT 0.8619
452 7ZC 0.8618
453 2OH 0.8617
454 TB8 0.8617
455 2GE 0.8616
456 PA5 0.8616
457 H2B 0.8614
458 KLE 0.8613
459 9DI 0.8612
460 MPK 0.8611
461 4GP 0.8611
462 535 0.8610
463 795 0.8610
464 TOH 0.8609
465 30G 0.8609
466 H4B 0.8608
467 Q2R 0.8606
468 PRO GLY 0.8600
469 RVD 0.8598
470 KW7 0.8598
471 DKX 0.8596
472 TLF 0.8596
473 4ZD 0.8592
474 6KN 0.8592
475 FM2 0.8591
476 DI6 0.8591
477 N9J 0.8591
478 U1K 0.8590
479 ARJ 0.8590
480 CJB 0.8588
481 OW7 0.8587
482 JOB 0.8586
483 7MX 0.8585
484 0OM 0.8584
485 DKZ 0.8581
486 CX4 0.8581
487 XDN XYP 0.8573
488 MUR 0.8572
489 AV4 0.8571
490 MQB 0.8570
491 5WN 0.8570
492 DA4 0.8565
493 CS2 0.8564
494 0GZ 0.8564
495 3BH 0.8563
496 8XL 0.8559
497 2TU 0.8558
498 GLO 0.8556
499 BHS 0.8556
500 XYP XDN 0.8552
501 URD 0.8550
502 KOM 0.8548
503 PAU 0.8547
504 GNG 0.8546
505 SNB 0.8542
506 SOR 0.8540
507 MUK 0.8533
508 5CD 0.8533
509 V15 0.8530
510 9XZ 0.8508
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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