Receptor
PDB id Resolution Class Description Source Keywords
5QAF 2.15 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 8C 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
S1D A:301;
B:301;
C:301;
D:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 312 uM
216.208 C13 H9 F O2 c1cc(...
EDO B:302;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
CL A:302;
B:303;
 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: S1D; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 S1D 1 1
2 JSX 0.674419 0.608696
3 Q4G 0.636364 1
4 IQQ 0.543478 0.608696
5 L5D 0.531915 0.684211
6 4FC 0.52381 1
7 TVC 0.5 0.736842
8 WVV 0.461538 0.9
9 TI7 0.415094 0.619048
10 1Y6 0.414634 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: S1D; Similar ligands found: 539
No: Ligand Similarity coefficient
1 VBC 0.9984
2 5FL 0.9789
3 U4J 0.9786
4 AVA 0.9767
5 5F8 0.9756
6 1FL 0.9696
7 0K7 0.9645
8 A9B 0.9555
9 4FF 0.9536
10 28A 0.9522
11 FHI 0.9511
12 1SF 0.9505
13 RGK 0.9480
14 KWB 0.9473
15 D1Y 0.9468
16 AUV 0.9450
17 3CA 0.9436
18 VM1 0.9433
19 XI7 0.9419
20 1XS 0.9408
21 NKI 0.9402
22 49P 0.9399
23 HH6 0.9373
24 28B 0.9371
25 ZZA 0.9368
26 SSY 0.9362
27 5B2 0.9357
28 20D 0.9357
29 LL1 0.9353
30 SZ5 0.9351
31 3F4 0.9348
32 DFL 0.9346
33 A73 0.9341
34 LFQ 0.9336
35 1ER 0.9334
36 F40 0.9333
37 BVS 0.9331
38 X6P 0.9322
39 RVE 0.9319
40 FCD 0.9317
41 Q2S 0.9315
42 4GU 0.9312
43 K48 0.9311
44 25F 0.9306
45 2D2 0.9306
46 1V1 0.9303
47 Q0K 0.9303
48 5F5 0.9298
49 9CE 0.9291
50 G14 0.9289
51 1HP 0.9288
52 47V 0.9283
53 RKV 0.9281
54 4AU 0.9278
55 272 0.9272
56 JFS 0.9270
57 6MW 0.9269
58 NFZ 0.9269
59 NIY 0.9259
60 L1T 0.9257
61 YE6 0.9257
62 V2Z 0.9249
63 5E5 0.9245
64 ENG 0.9243
65 3C5 0.9240
66 H2W 0.9239
67 XEV 0.9237
68 0DF 0.9236
69 0LO 0.9232
70 4EU 0.9229
71 6NZ 0.9226
72 U13 0.9224
73 ZEA 0.9218
74 DBE 0.9217
75 D2G 0.9216
76 6DQ 0.9216
77 3D8 0.9213
78 MZR 0.9212
79 QKU 0.9211
80 UN3 0.9209
81 5P3 0.9209
82 AED 0.9207
83 08C 0.9207
84 TVZ 0.9206
85 C4E 0.9198
86 W8L 0.9197
87 WLH 0.9195
88 0UL 0.9189
89 CDJ 0.9180
90 90G 0.9179
91 EAJ 0.9171
92 D3G 0.9171
93 60L 0.9159
94 A6W 0.9157
95 7G2 0.9153
96 8OB 0.9152
97 5H6 0.9150
98 92G 0.9148
99 27M 0.9148
100 X6W 0.9146
101 FMQ 0.9144
102 6C8 0.9144
103 KWV 0.9139
104 U7E 0.9135
105 DXK 0.9135
106 1FE 0.9133
107 P4L 0.9132
108 7L4 0.9129
109 8UY 0.9129
110 U12 0.9125
111 91F 0.9122
112 FCW 0.9120
113 D1G 0.9120
114 VJJ 0.9117
115 B2T 0.9117
116 F18 0.9117
117 VT3 0.9117
118 Y3J 0.9116
119 3VQ 0.9116
120 JMG 0.9113
121 A05 0.9112
122 KLE 0.9109
123 4G2 0.9108
124 A63 0.9107
125 3CX 0.9103
126 M3W 0.9100
127 BXZ 0.9100
128 5C1 0.9099
129 CTN 0.9097
130 6FG 0.9088
131 K80 0.9088
132 LI7 0.9088
133 1UZ 0.9087
134 TRP 0.9084
135 MMJ 0.9083
136 E9L 0.9083
137 L2K 0.9083
138 4ZF 0.9083
139 NU3 0.9081
140 U14 0.9080
141 MIL 0.9079
142 IDZ 0.9078
143 7VF 0.9077
144 8OE 0.9077
145 15Q 0.9072
146 DCN 0.9070
147 833 0.9066
148 EWG 0.9065
149 RCV 0.9064
150 0NX 0.9064
151 2JX 0.9063
152 PUE 0.9062
153 KYN 0.9060
154 WCU 0.9059
155 KP2 0.9054
156 27F 0.9054
157 ADN 0.9052
158 AVX 0.9052
159 3AD 0.9051
160 1Q2 0.9050
161 8CC 0.9049
162 AD3 0.9049
163 ERZ 0.9045
164 BZE 0.9044
165 2UV 0.9044
166 363 0.9042
167 2P3 0.9038
168 LWS 0.9038
169 Q92 0.9037
170 H7S 0.9037
171 FT6 0.9035
172 H35 0.9035
173 57D 0.9035
174 5NN 0.9033
175 YE7 0.9033
176 FC2 0.9032
177 97K 0.9032
178 JF5 0.9030
179 BBY 0.9028
180 9UL 0.9027
181 DFV 0.9025
182 TIA 0.9024
183 1HR 0.9023
184 2QU 0.9023
185 FPL 0.9021
186 0OY 0.9021
187 1AJ 0.9021
188 AGI 0.9014
189 KCH 0.9013
190 2GD 0.9012
191 1KN 0.9012
192 NIR 0.9008
193 36M 0.9007
194 2GQ 0.9007
195 C53 0.9006
196 TCL 0.9005
197 P9I 0.8999
198 AWE 0.8998
199 RK4 0.8993
200 4Z9 0.8993
201 5ZM 0.8993
202 CUQ 0.8992
203 T21 0.8991
204 7R4 0.8991
205 II4 0.8990
206 5M2 0.8986
207 5TO 0.8986
208 4NR 0.8986
209 IPJ 0.8986
210 NOS 0.8984
211 ZRK 0.8983
212 MJ5 0.8983
213 BP7 0.8981
214 MUK 0.8977
215 MT6 0.8976
216 5WW 0.8976
217 EAT 0.8975
218 27K 0.8974
219 1V4 0.8973
220 A7Q 0.8969
221 P93 0.8966
222 XDK 0.8963
223 M3E 0.8963
224 C0W 0.8963
225 S46 0.8962
226 BZQ 0.8961
227 6C5 0.8961
228 6TJ 0.8961
229 DUL 0.8961
230 6FX 0.8959
231 PZX 0.8959
232 8YH 0.8958
233 9X3 0.8953
234 0SY 0.8953
235 BJ4 0.8953
236 3GX 0.8951
237 LVY 0.8949
238 ODK 0.8948
239 WDW 0.8946
240 FT3 0.8944
241 ARJ 0.8940
242 Q5M 0.8940
243 IQW 0.8935
244 22F 0.8932
245 LNN 0.8930
246 B7H 0.8928
247 HKK 0.8926
248 1V3 0.8925
249 LTN 0.8925
250 3SU 0.8922
251 AV4 0.8920
252 2PK 0.8920
253 D8Q 0.8918
254 J1K 0.8917
255 DTR 0.8913
256 6QT 0.8913
257 3IL 0.8912
258 TCC 0.8911
259 CUT 0.8911
260 SNJ 0.8910
261 BPY 0.8910
262 5VU 0.8910
263 FT2 0.8910
264 AZY 0.8908
265 9F5 0.8906
266 X48 0.8906
267 3JC 0.8906
268 NOC 0.8904
269 ID8 0.8902
270 5ER 0.8902
271 108 0.8901
272 4F8 0.8901
273 XIF XYP 0.8895
274 FZ0 0.8894
275 NYJ 0.8892
276 8D6 0.8890
277 FB4 0.8889
278 5DE 0.8888
279 H48 0.8887
280 4GP 0.8886
281 14W 0.8885
282 0XR 0.8884
283 KF5 0.8884
284 9FG 0.8883
285 EQA 0.8883
286 5O6 0.8883
287 THM 0.8880
288 0OM 0.8880
289 3Q0 0.8878
290 URI 0.8878
291 1ZC 0.8878
292 MEX 0.8871
293 5FD 0.8870
294 XDL XYP 0.8870
295 W29 0.8869
296 FHV 0.8869
297 6H2 0.8863
298 JVD 0.8862
299 FT1 0.8861
300 DDC 0.8861
301 2PV 0.8859
302 XDN XYP 0.8855
303 ZIP 0.8854
304 BMC 0.8853
305 KW7 0.8851
306 6C9 0.8851
307 S0F 0.8850
308 DKX 0.8850
309 EVO 0.8849
310 NAR 0.8846
311 FER 0.8846
312 NE2 0.8845
313 9BF 0.8844
314 5N5 0.8843
315 GAT 0.8842
316 RA7 0.8842
317 CJB 0.8841
318 4K2 0.8839
319 ASE 0.8838
320 7ZL 0.8837
321 LJ3 0.8837
322 XYP XDN 0.8836
323 FBC 0.8835
324 B21 0.8834
325 EQW 0.8832
326 KU1 0.8832
327 6C4 0.8830
328 69W 0.8823
329 GF7 0.8821
330 TR4 0.8821
331 ELH 0.8821
332 5CD 0.8821
333 6DE 0.8821
334 7EH 0.8818
335 OLU 0.8816
336 0FR 0.8816
337 VFG 0.8815
338 XYP XYP 0.8815
339 0FS 0.8814
340 NIF 0.8814
341 RPN 0.8813
342 AJ4 0.8813
343 78P 0.8812
344 6ZX 0.8812
345 6J3 0.8810
346 AJD 0.8810
347 3D1 0.8810
348 22L 0.8809
349 ZRL 0.8809
350 96Z 0.8808
351 IOP 0.8808
352 OA1 0.8807
353 3AK 0.8804
354 ZME 0.8803
355 D25 0.8803
356 AYS 0.8801
357 CK2 0.8798
358 92Y 0.8796
359 X11 0.8796
360 QME 0.8794
361 C93 0.8793
362 XIL 0.8792
363 BQ5 0.8791
364 B4O 0.8790
365 E9S 0.8788
366 XYP XIF 0.8787
367 6SD 0.8787
368 L3L 0.8786
369 3DE 0.8786
370 S1C 0.8785
371 TJM 0.8785
372 8HH 0.8784
373 42R 0.8783
374 CC5 0.8783
375 5KN 0.8780
376 79W 0.8780
377 11X 0.8779
378 LU2 0.8777
379 6HX 0.8777
380 GZ2 0.8775
381 X29 0.8774
382 EMU 0.8773
383 78U 0.8773
384 3VW 0.8773
385 GVI 0.8772
386 DJL 0.8769
387 9FH 0.8769
388 B4L 0.8765
389 S7S 0.8763
390 2GE 0.8761
391 5F1 0.8760
392 5AE 0.8759
393 G2V 0.8758
394 0OP 0.8757
395 GJK 0.8756
396 SOJ 0.8756
397 PHE ALA 0.8753
398 C2M 0.8750
399 MTP 0.8748
400 3Y7 0.8747
401 531 0.8741
402 4I8 0.8741
403 CUH 0.8739
404 UMP 0.8737
405 X2M 0.8736
406 5R8 0.8735
407 6J9 0.8735
408 R20 0.8734
409 ET0 0.8732
410 6HO 0.8732
411 A8K 0.8731
412 EV2 0.8729
413 36Z 0.8728
414 JF8 0.8726
415 GT4 0.8724
416 S45 0.8722
417 16Z 0.8722
418 6XC 0.8722
419 7KE 0.8721
420 AMR 0.8720
421 XYS XYS 0.8718
422 51Y 0.8715
423 0OK 0.8714
424 38E 0.8714
425 RPP 0.8713
426 A6Z 0.8713
427 3WJ 0.8713
428 CWE 0.8711
429 F91 0.8710
430 43J 0.8709
431 TIZ 0.8708
432 UKV 0.8708
433 7O4 0.8706
434 NWD 0.8706
435 IK1 0.8705
436 VAO 0.8704
437 977 0.8702
438 5AD 0.8701
439 OJD 0.8701
440 JPQ 0.8701
441 CFK 0.8700
442 BSA 0.8699
443 NE1 0.8699
444 XCG 0.8697
445 50C 0.8696
446 492 0.8695
447 CMG 0.8691
448 BP3 0.8688
449 KMP 0.8686
450 JGY 0.8681
451 C0H 0.8679
452 MQR 0.8679
453 F63 0.8679
454 AFX 0.8677
455 MD6 0.8677
456 LZ7 0.8677
457 PW1 0.8675
458 MXD 0.8675
459 MTA 0.8673
460 4FP 0.8673
461 P2L 0.8673
462 0QA 0.8668
463 JPB 0.8668
464 NAL 0.8668
465 ZAS 0.8667
466 0OL 0.8667
467 GXD 0.8666
468 IMK 0.8665
469 PRH 0.8663
470 DAH 0.8660
471 TMG 0.8660
472 9XZ 0.8658
473 CK1 0.8657
474 EF2 0.8657
475 1V8 0.8656
476 6BK 0.8656
477 KLS 0.8653
478 M5H 0.8652
479 BGK 0.8651
480 2OH 0.8647
481 CG 0.8647
482 E3X 0.8645
483 0H5 0.8645
484 37E 0.8644
485 SB7 0.8644
486 AOY 0.8644
487 72G 0.8642
488 WL3 0.8638
489 5ID 0.8636
490 MKN 0.8635
491 MUR 0.8635
492 EYJ 0.8631
493 HA6 0.8629
494 PCQ 0.8627
495 SJR 0.8627
496 92O 0.8626
497 DE7 0.8625
498 TLF 0.8623
499 NQ7 0.8623
500 P80 0.8622
501 Q8D 0.8621
502 F4U 0.8618
503 Y70 0.8615
504 GXG 0.8610
505 1Q4 0.8610
506 A64 0.8609
507 CJZ 0.8607
508 1DA 0.8607
509 7VP 0.8603
510 L5V 0.8601
511 NPS 0.8600
512 O53 0.8599
513 NWW 0.8595
514 ALA GLN 0.8594
515 LIG 0.8593
516 5WN 0.8593
517 A51 0.8588
518 7G0 0.8587
519 TGW 0.8586
520 5E4 0.8586
521 GUS 0.8585
522 UM3 0.8581
523 S7D 0.8580
524 D64 0.8576
525 C5P 0.8576
526 0ON 0.8572
527 FSE 0.8566
528 TT4 0.8564
529 UN4 0.8563
530 YZM 0.8559
531 0MB 0.8559
532 M1Z 0.8556
533 7G1 0.8556
534 2LT 0.8554
535 CIY 0.8553
536 6PB 0.8535
537 3WK 0.8534
538 KHP 0.8524
539 MBP 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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