Receptor
PDB id Resolution Class Description Source Keywords
5QAJ 2 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 13 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
VBC B:301;
C:302;
D:301;
A:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 330 uM
213.232 C13 H11 N O2 c1cc(...
EDO EDO D:303;
 Invalid;
 none;
 submit data
n/a n/a
CL D:302;
C:301;
 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: VBC; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 VBC 1 1
2 TVZ 0.681818 0.703704
3 S1C 0.58 0.75
4 AV4 0.5 0.612903
5 GAB 0.5 0.863636
6 TVC 0.5 0.608696
7 Q2S 0.464286 0.642857
8 AV7 0.462963 0.75
9 PAB 0.414634 0.863636
Similar Ligands (3D)
Ligand no: 1; Ligand: VBC; Similar ligands found: 510
No: Ligand Similarity coefficient
1 JSX 1.0000
2 S1D 0.9984
3 5FL 0.9776
4 5F8 0.9737
5 U4J 0.9721
6 AVA 0.9699
7 0K7 0.9652
8 1FL 0.9604
9 A9B 0.9543
10 28A 0.9528
11 4FF 0.9524
12 WVV 0.9503
13 1SF 0.9502
14 RGK 0.9483
15 3CA 0.9479
16 KWB 0.9476
17 AUV 0.9462
18 NKI 0.9413
19 XI7 0.9404
20 1XS 0.9399
21 49P 0.9394
22 5TZ 0.9393
23 Q4G 0.9387
24 HH6 0.9377
25 ZZA 0.9364
26 20D 0.9363
27 D1Y 0.9363
28 SZ5 0.9359
29 DFL 0.9355
30 LL1 0.9353
31 A73 0.9351
32 TI7 0.9349
33 5B2 0.9347
34 3F4 0.9347
35 SSY 0.9345
36 28B 0.9342
37 5P3 0.9339
38 BVS 0.9338
39 LFQ 0.9326
40 F40 0.9323
41 IQQ 0.9321
42 FHI 0.9320
43 25F 0.9317
44 1V1 0.9315
45 RVE 0.9312
46 FCD 0.9310
47 4GU 0.9308
48 Q0K 0.9307
49 K48 0.9306
50 5F5 0.9296
51 G14 0.9291
52 1ER 0.9290
53 NIY 0.9290
54 1HP 0.9289
55 RKV 0.9284
56 47V 0.9283
57 9CE 0.9282
58 4AU 0.9282
59 JFS 0.9280
60 6NZ 0.9275
61 272 0.9272
62 2D2 0.9266
63 VM1 0.9262
64 6MW 0.9260
65 L1T 0.9249
66 H2W 0.9240
67 5E5 0.9236
68 ENG 0.9234
69 KWV 0.9230
70 3C5 0.9226
71 08C 0.9226
72 U13 0.9223
73 0LO 0.9219
74 X6P 0.9215
75 NFZ 0.9209
76 6DQ 0.9208
77 W8L 0.9203
78 3D8 0.9202
79 DBE 0.9200
80 C4E 0.9200
81 WLH 0.9200
82 L5D 0.9200
83 JCZ 0.9198
84 0UL 0.9188
85 CDJ 0.9186
86 X6W 0.9184
87 60L 0.9183
88 V2Z 0.9175
89 AED 0.9161
90 A05 0.9159
91 5H6 0.9155
92 7G2 0.9152
93 EWG 0.9149
94 27M 0.9146
95 92G 0.9143
96 8UY 0.9143
97 EAJ 0.9142
98 6FG 0.9136
99 YE6 0.9134
100 A6W 0.9133
101 D2G 0.9133
102 DXK 0.9124
103 P4L 0.9124
104 D3G 0.9123
105 VT3 0.9123
106 2QU 0.9122
107 6C8 0.9122
108 QKU 0.9121
109 F18 0.9119
110 MZR 0.9118
111 A63 0.9118
112 U7E 0.9116
113 7L4 0.9114
114 4EU 0.9114
115 1UZ 0.9106
116 B2T 0.9104
117 JMG 0.9104
118 FMQ 0.9101
119 91F 0.9101
120 M3W 0.9101
121 BXZ 0.9099
122 3SU 0.9097
123 E9L 0.9092
124 K80 0.9091
125 NU3 0.9085
126 LI7 0.9085
127 XEV 0.9083
128 MMJ 0.9082
129 D1G 0.9081
130 8OB 0.9081
131 CTN 0.9080
132 Y3J 0.9079
133 4G2 0.9078
134 UN3 0.9076
135 27F 0.9072
136 0NX 0.9063
137 U12 0.9061
138 833 0.9057
139 H7S 0.9056
140 MIL 0.9056
141 2UV 0.9056
142 KYN 0.9054
143 ERZ 0.9048
144 1AJ 0.9046
145 KP2 0.9043
146 AVX 0.9042
147 JF5 0.9041
148 NZ4 0.9041
149 2JX 0.9039
150 9X3 0.9034
151 363 0.9034
152 97K 0.9034
153 BZE 0.9033
154 TRP 0.9032
155 15Q 0.9031
156 RK4 0.9030
157 BBY 0.9030
158 9UL 0.9030
159 FC2 0.9030
160 8CC 0.9029
161 DUL 0.9027
162 TIA 0.9026
163 MUK 0.9025
164 57D 0.9025
165 5NN 0.9025
166 IDZ 0.9021
167 YE7 0.9019
168 AGI 0.9018
169 3VQ 0.9015
170 PUE 0.9013
171 ARJ 0.9009
172 P9I 0.9007
173 H35 0.9006
174 C53 0.9003
175 AWE 0.9003
176 ADN 0.9002
177 2GQ 0.8999
178 KCH 0.8999
179 DFV 0.8999
180 3AD 0.8999
181 2GD 0.8998
182 2P3 0.8997
183 1V4 0.8995
184 5C1 0.8995
185 FCW 0.8995
186 1KN 0.8995
187 U14 0.8991
188 BMC 0.8990
189 AZY 0.8989
190 4NR 0.8989
191 IPJ 0.8989
192 CUQ 0.8988
193 FT6 0.8984
194 4Z9 0.8981
195 VJJ 0.8978
196 5TO 0.8973
197 7VF 0.8972
198 4ZF 0.8969
199 ZRK 0.8964
200 MT6 0.8963
201 NOC 0.8961
202 M3E 0.8960
203 EAT 0.8960
204 36M 0.8959
205 8OE 0.8951
206 6C5 0.8951
207 B7H 0.8947
208 PZX 0.8946
209 ODK 0.8944
210 XDK 0.8943
211 AD3 0.8943
212 3CX 0.8941
213 3GX 0.8939
214 WCU 0.8936
215 IQW 0.8936
216 0SY 0.8933
217 CBE 0.8930
218 NIR 0.8930
219 5VU 0.8930
220 7R4 0.8928
221 LNN 0.8925
222 LTN 0.8921
223 WDW 0.8919
224 P93 0.8918
225 DCN 0.8918
226 1HR 0.8918
227 5M2 0.8918
228 108 0.8917
229 II4 0.8913
230 J1K 0.8910
231 6FX 0.8909
232 0OY 0.8906
233 LWS 0.8903
234 6TJ 0.8903
235 T21 0.8901
236 5FD 0.8900
237 3JC 0.8899
238 4F8 0.8898
239 F36 0.8896
240 SOJ 0.8895
241 1Q2 0.8895
242 S46 0.8895
243 Q5M 0.8895
244 RQD 0.8894
245 SNJ 0.8894
246 HKK 0.8893
247 1V3 0.8893
248 ID8 0.8892
249 1ZC 0.8890
250 92Y 0.8885
251 FT3 0.8884
252 8D6 0.8884
253 FHV 0.8883
254 URI 0.8878
255 C0W 0.8878
256 27K 0.8877
257 DDC 0.8877
258 22F 0.8876
259 X48 0.8875
260 THM 0.8875
261 0XR 0.8874
262 NIF 0.8872
263 DTR 0.8871
264 E9S 0.8870
265 0H5 0.8868
266 S0D 0.8868
267 ZIP 0.8864
268 GAT 0.8863
269 5CD 0.8863
270 6H2 0.8862
271 FZ0 0.8860
272 5DE 0.8858
273 9FG 0.8856
274 531 0.8852
275 TCL 0.8852
276 8YH 0.8851
277 A7Q 0.8850
278 BPY 0.8849
279 NAR 0.8848
280 9F5 0.8848
281 0OP 0.8847
282 W29 0.8846
283 PHE ALA 0.8845
284 7ZL 0.8845
285 FER 0.8844
286 5O6 0.8841
287 14W 0.8841
288 EVO 0.8839
289 6C9 0.8836
290 MEX 0.8833
291 3D1 0.8833
292 16Z 0.8832
293 42R 0.8832
294 LJ3 0.8831
295 GF7 0.8829
296 3Q0 0.8825
297 FB4 0.8822
298 B4O 0.8822
299 9BF 0.8821
300 JVD 0.8820
301 4GP 0.8819
302 B21 0.8818
303 EQW 0.8815
304 C93 0.8813
305 L2K 0.8812
306 3DE 0.8811
307 NOS 0.8810
308 5F1 0.8810
309 S0F 0.8810
310 6J3 0.8809
311 3AK 0.8809
312 LRW 0.8809
313 OA1 0.8808
314 TCC 0.8807
315 EQA 0.8807
316 22L 0.8807
317 CUT 0.8805
318 CK2 0.8804
319 0FR 0.8803
320 AYS 0.8803
321 5N5 0.8800
322 AJD 0.8800
323 ZRL 0.8800
324 KU1 0.8799
325 XDL XYP 0.8798
326 FT2 0.8797
327 GVI 0.8797
328 0FS 0.8796
329 IOP 0.8795
330 96Z 0.8793
331 QME 0.8792
332 D25 0.8792
333 78P 0.8791
334 EMU 0.8788
335 DKX 0.8786
336 XIL 0.8785
337 RA7 0.8785
338 TJM 0.8784
339 AMR 0.8783
340 CJB 0.8779
341 9FH 0.8779
342 LVY 0.8778
343 3VW 0.8777
344 GZ2 0.8775
345 PRH 0.8774
346 2GE 0.8773
347 XIF XYP 0.8771
348 GJK 0.8767
349 S45 0.8764
350 CC5 0.8763
351 H75 0.8763
352 6ZX 0.8759
353 PW1 0.8759
354 KW7 0.8758
355 B4L 0.8758
356 ASE 0.8757
357 C0H 0.8756
358 XDN XYP 0.8756
359 IPO 0.8756
360 6DE 0.8755
361 79W 0.8755
362 4K2 0.8751
363 XYP XYP 0.8751
364 YIP 0.8750
365 RPN 0.8749
366 L3L 0.8748
367 R20 0.8747
368 536 0.8747
369 XYP XDN 0.8745
370 VCE 0.8742
371 CUH 0.8742
372 3Y7 0.8741
373 72G 0.8740
374 MKN 0.8740
375 AJ4 0.8740
376 0OM 0.8740
377 HNM 0.8736
378 JPB 0.8735
379 1UT 0.8735
380 D8Q 0.8733
381 4MP 0.8729
382 ZAS 0.8728
383 X2M 0.8727
384 6HX 0.8727
385 NAL 0.8722
386 X11 0.8722
387 MQR 0.8720
388 C2M 0.8718
389 XYS XYS 0.8717
390 NE1 0.8714
391 7KE 0.8714
392 7O4 0.8711
393 EV2 0.8711
394 TIZ 0.8710
395 O53 0.8708
396 CWE 0.8707
397 JPQ 0.8703
398 51Y 0.8703
399 11X 0.8702
400 6J9 0.8700
401 RVC 0.8698
402 492 0.8696
403 NWD 0.8696
404 P2L 0.8695
405 CMG 0.8695
406 5AD 0.8694
407 5AE 0.8693
408 977 0.8690
409 IK1 0.8689
410 UMP 0.8686
411 CFK 0.8685
412 DJL 0.8684
413 XCG 0.8683
414 KMP 0.8682
415 8HH 0.8682
416 6F3 0.8681
417 0OK 0.8679
418 BQ5 0.8679
419 IMH 0.8678
420 CG 0.8677
421 XYP XIF 0.8677
422 HPR 0.8676
423 36Z 0.8675
424 3WK 0.8671
425 3IL 0.8668
426 IMK 0.8668
427 MXD 0.8668
428 AFX 0.8668
429 GZV 0.8666
430 GXD 0.8664
431 JF8 0.8663
432 PUR 0.8663
433 0OL 0.8662
434 TMG 0.8660
435 JGY 0.8658
436 5R8 0.8657
437 BP3 0.8657
438 F63 0.8657
439 7G1 0.8656
440 78U 0.8656
441 A9E 0.8652
442 M5H 0.8652
443 UKV 0.8650
444 1V8 0.8649
445 MD6 0.8648
446 1DA 0.8646
447 MTA 0.8644
448 MTP 0.8643
449 BSU 0.8642
450 HQJ 0.8641
451 SJR 0.8640
452 0QA 0.8639
453 9XZ 0.8638
454 6BK 0.8637
455 NWW 0.8637
456 AOY 0.8636
457 A6Z 0.8634
458 GT4 0.8632
459 X29 0.8631
460 G30 0.8628
461 3WJ 0.8626
462 GPK 0.8625
463 JAH 0.8624
464 P80 0.8621
465 4CN 0.8621
466 37E 0.8619
467 7G0 0.8617
468 ELH 0.8617
469 S7D 0.8615
470 BSA 0.8613
471 EF2 0.8612
472 A8K 0.8605
473 A64 0.8601
474 NQ7 0.8598
475 C5P 0.8591
476 0ON 0.8590
477 LIG 0.8588
478 SB7 0.8585
479 92O 0.8585
480 TR4 0.8582
481 Q8D 0.8579
482 2FA 0.8578
483 5E4 0.8578
484 7EL 0.8575
485 TT4 0.8574
486 KHP 0.8572
487 RPP 0.8570
488 MUR 0.8569
489 YZM 0.8569
490 1Q4 0.8568
491 2LT 0.8566
492 A51 0.8565
493 CIY 0.8563
494 GPU 0.8558
495 D64 0.8555
496 B5A 0.8552
497 F4U 0.8549
498 5WN 0.8546
499 UM3 0.8545
500 EYJ 0.8541
501 UN4 0.8539
502 TH1 0.8539
503 GUS 0.8539
504 F1X 0.8535
505 FSE 0.8534
506 4FP 0.8531
507 P3S 0.8524
508 6PB 0.8524
509 GFE 0.8521
510 MBP 0.8519
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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