Receptor
PDB id Resolution Class Description Source Keywords
5QA8 2.5 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 4C 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;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
JSX C:301;
A:301;
D:301;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 170 uM
214.217 C13 H10 O3 c1cc(...
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: JSX; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 JSX 1 1
2 S1D 0.674419 0.608696
3 U4J 0.630435 0.818182
4 IQQ 0.613636 1
5 Q4G 0.531915 0.608696
6 L5D 0.531915 0.65
7 TVC 0.5 0.7
8 QKU 0.5 0.652174
9 XEV 0.490196 0.818182
10 3HB 0.452381 0.842105
11 AUV 0.442308 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: JSX; Similar ligands found: 560
No: Ligand Similarity coefficient
1 VBC 1.0000
2 5FL 0.9785
3 AVA 0.9745
4 5F8 0.9745
5 0K7 0.9648
6 1FL 0.9604
7 3CA 0.9558
8 1SF 0.9550
9 4FF 0.9526
10 A9B 0.9507
11 WVV 0.9485
12 RGK 0.9481
13 TI7 0.9473
14 KWB 0.9458
15 Q2S 0.9440
16 28A 0.9428
17 DFL 0.9419
18 XI7 0.9411
19 NKI 0.9407
20 1XS 0.9406
21 1ER 0.9395
22 HH6 0.9372
23 ZZA 0.9369
24 20D 0.9361
25 SSY 0.9360
26 5B2 0.9358
27 SZ5 0.9356
28 6NZ 0.9354
29 LL1 0.9353
30 49P 0.9351
31 3F4 0.9350
32 28B 0.9348
33 A73 0.9342
34 BVS 0.9337
35 5P3 0.9337
36 F40 0.9330
37 1Q1 0.9324
38 UN3 0.9324
39 ENG 0.9320
40 RVE 0.9319
41 25F 0.9310
42 FCD 0.9310
43 4GU 0.9310
44 9JT 0.9308
45 5F5 0.9308
46 K48 0.9308
47 WLH 0.9307
48 1V1 0.9307
49 Q0K 0.9304
50 NIY 0.9296
51 JFS 0.9296
52 9CE 0.9290
53 1HP 0.9288
54 G14 0.9288
55 PIQ 0.9287
56 FHI 0.9285
57 4AU 0.9280
58 LFQ 0.9279
59 47V 0.9276
60 272 0.9275
61 RKV 0.9275
62 2D2 0.9274
63 TRP 0.9274
64 TVZ 0.9270
65 VM1 0.9268
66 6MW 0.9268
67 L1T 0.9255
68 MZR 0.9252
69 D1Y 0.9246
70 5E5 0.9242
71 3C5 0.9240
72 H2W 0.9236
73 0DF 0.9229
74 0LO 0.9228
75 4ZF 0.9224
76 DXK 0.9224
77 4EU 0.9223
78 RK4 0.9223
79 ZEA 0.9221
80 U13 0.9221
81 6DQ 0.9217
82 08C 0.9215
83 D2G 0.9207
84 3D8 0.9206
85 JCZ 0.9202
86 DBE 0.9201
87 W8L 0.9200
88 X6P 0.9199
89 0UL 0.9189
90 C4E 0.9188
91 AED 0.9187
92 VJJ 0.9187
93 WCU 0.9187
94 FCW 0.9187
95 NFZ 0.9186
96 6C8 0.9183
97 CDJ 0.9183
98 P4L 0.9181
99 X6W 0.9176
100 V2Z 0.9176
101 FMQ 0.9176
102 EAJ 0.9176
103 F18 0.9174
104 90G 0.9174
105 IDZ 0.9168
106 D1G 0.9168
107 MIL 0.9162
108 NU3 0.9161
109 U14 0.9159
110 3CX 0.9157
111 5H6 0.9152
112 7G2 0.9151
113 KWV 0.9150
114 8OB 0.9149
115 92G 0.9147
116 27M 0.9146
117 2JX 0.9140
118 U12 0.9137
119 YE6 0.9137
120 8UY 0.9135
121 1FE 0.9134
122 U7E 0.9132
123 D3G 0.9131
124 91F 0.9127
125 LR2 0.9126
126 3AD 0.9123
127 60L 0.9122
128 7L4 0.9122
129 DFV 0.9121
130 VT3 0.9120
131 1AJ 0.9119
132 2P3 0.9119
133 6FG 0.9118
134 LVY 0.9114
135 A63 0.9110
136 Y3J 0.9108
137 CTN 0.9106
138 M3W 0.9104
139 4G2 0.9103
140 BXZ 0.9102
141 JMG 0.9101
142 A6W 0.9097
143 3SU 0.9096
144 1UZ 0.9093
145 A05 0.9093
146 K80 0.9090
147 LI7 0.9089
148 E9L 0.9086
149 ADN 0.9084
150 Q5M 0.9082
151 5C1 0.9079
152 EWG 0.9074
153 BMC 0.9073
154 7VF 0.9072
155 0NX 0.9066
156 JF5 0.9065
157 CUQ 0.9062
158 DCN 0.9060
159 27F 0.9058
160 4Z9 0.9057
161 H7S 0.9056
162 833 0.9056
163 2QU 0.9052
164 1ZC 0.9051
165 2GD 0.9050
166 7R4 0.9048
167 8CC 0.9043
168 BBY 0.9043
169 108 0.9043
170 AD3 0.9043
171 363 0.9041
172 BZE 0.9039
173 KP2 0.9036
174 ERZ 0.9036
175 AVX 0.9035
176 97K 0.9033
177 9UL 0.9032
178 57D 0.9032
179 II4 0.9031
180 5NN 0.9031
181 FC2 0.9031
182 TIA 0.9027
183 1Q2 0.9026
184 YE7 0.9024
185 LWS 0.9024
186 FT6 0.9018
187 1KN 0.9017
188 8OE 0.9015
189 AGI 0.9015
190 B2T 0.9013
191 KCH 0.9011
192 H35 0.9011
193 22F 0.9008
194 9X3 0.9008
195 5M2 0.9007
196 4NR 0.9004
197 1V3 0.9004
198 2GQ 0.9002
199 0OY 0.9001
200 96Z 0.9000
201 P9I 0.8997
202 AWE 0.8996
203 15Q 0.8993
204 HWH 0.8993
205 S46 0.8990
206 ZRK 0.8986
207 IPJ 0.8986
208 AZY 0.8984
209 5TO 0.8981
210 5WW 0.8981
211 1V4 0.8979
212 MUK 0.8977
213 MT6 0.8975
214 DUL 0.8974
215 DDC 0.8974
216 EQA 0.8968
217 0SY 0.8967
218 ASE 0.8966
219 C0W 0.8966
220 JGY 0.8965
221 F36 0.8963
222 IQW 0.8963
223 5ZM 0.8961
224 BZQ 0.8961
225 LNN 0.8959
226 ARJ 0.8959
227 PZX 0.8955
228 MEX 0.8954
229 6C5 0.8953
230 3JC 0.8953
231 EAT 0.8953
232 C53 0.8951
233 M3E 0.8950
234 4RG 0.8949
235 3GX 0.8949
236 XDK 0.8948
237 3WJ 0.8947
238 LRW 0.8941
239 NIR 0.8941
240 NOC 0.8941
241 NOS 0.8940
242 6FX 0.8940
243 3VQ 0.8939
244 HKK 0.8939
245 CBE 0.8939
246 ODK 0.8937
247 B7H 0.8936
248 1HR 0.8935
249 4MP 0.8935
250 4K2 0.8934
251 WDW 0.8933
252 LTN 0.8930
253 0OM 0.8928
254 O9T 0.8925
255 P93 0.8925
256 9FG 0.8923
257 5N5 0.8922
258 9F5 0.8919
259 A7Q 0.8919
260 CC5 0.8918
261 2PK 0.8918
262 J1K 0.8918
263 5FD 0.8917
264 D8Q 0.8915
265 4F8 0.8914
266 8YH 0.8913
267 5DE 0.8906
268 6QT 0.8906
269 36M 0.8903
270 NAL 0.8896
271 TCC 0.8894
272 TCL 0.8894
273 ID8 0.8891
274 XDL XYP 0.8890
275 KYN 0.8889
276 SOJ 0.8889
277 5CD 0.8888
278 XIF XYP 0.8887
279 8D6 0.8887
280 FT3 0.8885
281 DTR 0.8882
282 FB4 0.8881
283 3IL 0.8881
284 NIF 0.8878
285 6H2 0.8875
286 QME 0.8874
287 THM 0.8874
288 M83 0.8873
289 6JM 0.8872
290 2PV 0.8871
291 URI 0.8871
292 XYP XDN 0.8871
293 FT2 0.8870
294 X48 0.8870
295 92Y 0.8869
296 MQR 0.8868
297 S0D 0.8868
298 4GP 0.8863
299 ELH 0.8862
300 EMU 0.8861
301 42R 0.8861
302 FER 0.8859
303 IPO 0.8858
304 XYP XYP 0.8857
305 AV4 0.8857
306 ZIP 0.8855
307 BPY 0.8854
308 EVO 0.8849
309 9FH 0.8849
310 6DE 0.8848
311 3DE 0.8846
312 T21 0.8844
313 NAR 0.8844
314 L3L 0.8843
315 0OP 0.8842
316 6C9 0.8842
317 NYJ 0.8837
318 A9E 0.8837
319 5VU 0.8833
320 6C4 0.8833
321 27K 0.8832
322 3Q0 0.8831
323 DKX 0.8830
324 KU1 0.8830
325 IOP 0.8829
326 EV2 0.8829
327 7ZL 0.8829
328 531 0.8828
329 XYP XIF 0.8828
330 GT4 0.8828
331 FZ0 0.8828
332 EQW 0.8827
333 S0F 0.8827
334 JVD 0.8827
335 B4O 0.8827
336 B21 0.8825
337 5F1 0.8824
338 78U 0.8824
339 ISC 0.8822
340 RPN 0.8821
341 6XC 0.8820
342 EF2 0.8819
343 CJB 0.8819
344 L2K 0.8814
345 SNJ 0.8814
346 OLU 0.8813
347 OA1 0.8813
348 7EH 0.8813
349 PUE 0.8813
350 KMP 0.8812
351 3AK 0.8811
352 ZRL 0.8811
353 9BF 0.8811
354 22L 0.8811
355 1Q4 0.8811
356 AJD 0.8810
357 6J3 0.8808
358 36Z 0.8807
359 XDN XYP 0.8806
360 C0H 0.8806
361 JF8 0.8806
362 0FR 0.8804
363 KW7 0.8804
364 79W 0.8804
365 X29 0.8802
366 BGK 0.8802
367 DJL 0.8801
368 CK2 0.8800
369 AYS 0.8800
370 D25 0.8799
371 CUT 0.8799
372 Y70 0.8797
373 S1C 0.8796
374 FT1 0.8795
375 14W 0.8793
376 FHV 0.8791
377 BJ4 0.8791
378 XIL 0.8789
379 0RY 0.8788
380 5O6 0.8787
381 TJM 0.8786
382 GB4 0.8786
383 6TJ 0.8785
384 78P 0.8783
385 1V8 0.8781
386 LU2 0.8778
387 NWD 0.8778
388 CWE 0.8778
389 B4L 0.8777
390 CUH 0.8776
391 3VW 0.8775
392 GZ2 0.8774
393 E9S 0.8774
394 0H5 0.8772
395 0XR 0.8772
396 6J9 0.8770
397 2GE 0.8770
398 HNM 0.8770
399 RPP 0.8770
400 ZAS 0.8769
401 0FS 0.8765
402 PHE ALA 0.8764
403 TGW 0.8761
404 7O4 0.8760
405 7MW 0.8759
406 G2V 0.8759
407 RA7 0.8758
408 D64 0.8757
409 RQD 0.8753
410 A7K 0.8752
411 MTP 0.8751
412 4FP 0.8751
413 MKN 0.8750
414 6HX 0.8750
415 GVI 0.8750
416 0OK 0.8749
417 C2M 0.8749
418 YIP 0.8748
419 C93 0.8747
420 R20 0.8746
421 AJ4 0.8743
422 DE7 0.8743
423 0OL 0.8742
424 3Y7 0.8742
425 KLS 0.8741
426 MUR 0.8741
427 OJD 0.8740
428 TR4 0.8739
429 MTA 0.8739
430 6ZX 0.8736
431 X2M 0.8735
432 9XZ 0.8734
433 SJR 0.8734
434 UMP 0.8733
435 GJK 0.8730
436 LIG 0.8727
437 X11 0.8726
438 1UT 0.8725
439 1V0 0.8724
440 IMK 0.8722
441 68B 0.8722
442 ET0 0.8720
443 8M5 0.8719
444 XYS XYS 0.8719
445 MBP 0.8717
446 6F3 0.8716
447 O53 0.8716
448 AFX 0.8714
449 PUR 0.8713
450 E3X 0.8713
451 NE1 0.8709
452 38E 0.8708
453 338 0.8708
454 5V7 0.8708
455 51Y 0.8707
456 UKV 0.8705
457 TIZ 0.8704
458 7G0 0.8702
459 XCG 0.8701
460 0MB 0.8699
461 1UR 0.8699
462 IK1 0.8698
463 5AD 0.8697
464 RFZ 0.8697
465 43J 0.8697
466 F4U 0.8696
467 536 0.8695
468 JPB 0.8695
469 492 0.8695
470 W29 0.8694
471 50C 0.8694
472 7G1 0.8691
473 4CN 0.8691
474 GB5 0.8690
475 J84 0.8689
476 CMG 0.8688
477 NPZ 0.8688
478 VAO 0.8685
479 977 0.8683
480 Q8D 0.8683
481 92O 0.8681
482 JPQ 0.8679
483 A8K 0.8678
484 PW1 0.8677
485 11X 0.8673
486 WA2 0.8672
487 3D1 0.8671
488 F91 0.8669
489 0ON 0.8669
490 F63 0.8664
491 6BK 0.8664
492 3WO 0.8663
493 3WN 0.8663
494 MXD 0.8662
495 GXD 0.8662
496 8HH 0.8661
497 AX8 0.8661
498 CC6 0.8660
499 C82 0.8658
500 3WK 0.8658
501 BSA 0.8657
502 HA6 0.8656
503 CK1 0.8655
504 M5H 0.8654
505 S45 0.8650
506 IXM 0.8650
507 M4N 0.8650
508 2OH 0.8648
509 N2Y 0.8646
510 P80 0.8641
511 DAH 0.8640
512 16Z 0.8639
513 A64 0.8639
514 PRH 0.8638
515 6T5 0.8638
516 AOY 0.8637
517 UN4 0.8635
518 GZV 0.8635
519 5WN 0.8633
520 NWW 0.8631
521 G30 0.8629
522 5ID 0.8628
523 NQ7 0.8626
524 TLF 0.8625
525 BP3 0.8624
526 5AE 0.8622
527 5YA 0.8619
528 P2L 0.8618
529 KOM 0.8614
530 GUS 0.8614
531 BRY 0.8614
532 GXG 0.8613
533 0QA 0.8612
534 LJ4 0.8612
535 37E 0.8611
536 7KE 0.8609
537 1DA 0.8606
538 FSE 0.8606
539 6EL 0.8605
540 BQ5 0.8603
541 5E4 0.8601
542 L5V 0.8601
543 2LT 0.8600
544 JE7 0.8599
545 FL8 0.8598
546 S7D 0.8596
547 CIY 0.8592
548 7EL 0.8591
549 A6Z 0.8582
550 SB7 0.8576
551 WL3 0.8576
552 KHP 0.8565
553 ALA GLN 0.8563
554 C5P 0.8563
555 DCZ 0.8563
556 5P7 0.8561
557 GPK 0.8557
558 Q8G 0.8557
559 YZM 0.8555
560 F1X 0.8553
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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