Receptor
PDB id Resolution Class Description Source Keywords
5DTT 2.1 Å EC: 3.5.2.6 FRAGMENTS BOUND TO THE OXA-48 BETA-LACTAMASE: COMPOUND 3 KLEBSIELLA PNEUMONIAE INHIBITOR COMPLEX FRAGMENT LACTAMASE HYDROLASE
Ref.: SCREENING AND DESIGN OF INHIBITOR SCAFFOLDS FOR THE ANTIBIOTIC RESISTANCE OXACILLINASE-48 (OXA-48) THRO SURFACE PLASMON RESONANCE SCREENING. J.MED.CHEM. V. 59 5542 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5F5 C:301;
D:301;
 Valid;
Valid;
 none;
none;
 Kd = 310 uM
205.233 C10 H7 N O2 S c1cc(...
EDO D:302;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
CL A:301;
B: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: 5F5; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 5F5 1 1
2 AVA 0.471698 0.62963
3 EWG 0.403509 0.606061
Similar Ligands (3D)
Ligand no: 1; Ligand: 5F5; Similar ligands found: 725
No: Ligand Similarity coefficient
1 VM1 0.9979
2 5F8 0.9886
3 5FL 0.9839
4 0LO 0.9735
5 LEL 0.9734
6 LL1 0.9694
7 X6P 0.9658
8 K48 0.9633
9 M5H 0.9616
10 5TZ 0.9589
11 RKV 0.9582
12 WVV 0.9556
13 LFQ 0.9544
14 U7E 0.9528
15 AUV 0.9510
16 IQQ 0.9499
17 9UL 0.9489
18 L5D 0.9482
19 78Y 0.9451
20 363 0.9443
21 49P 0.9433
22 Q4G 0.9430
23 XI7 0.9427
24 60L 0.9422
25 ZZA 0.9421
26 6MW 0.9409
27 2GQ 0.9398
28 4FF 0.9390
29 G14 0.9384
30 2D2 0.9383
31 TI7 0.9380
32 BIK 0.9380
33 7O4 0.9369
34 D2G 0.9361
35 R20 0.9360
36 D3G 0.9355
37 DXK 0.9354
38 L1T 0.9354
39 KWB 0.9346
40 TCR 0.9340
41 FCD 0.9331
42 D1G 0.9330
43 30G 0.9327
44 5B2 0.9326
45 RVE 0.9321
46 AMR 0.9317
47 1ER 0.9316
48 2UZ 0.9311
49 JSX 0.9308
50 5P3 0.9306
51 DRG 0.9304
52 BZJ 0.9302
53 S1D 0.9298
54 HQJ 0.9298
55 L5V 0.9297
56 VBC 0.9296
57 A6W 0.9296
58 795 0.9295
59 6J9 0.9295
60 F40 0.9286
61 YE6 0.9280
62 MZM 0.9276
63 II4 0.9272
64 XDK 0.9266
65 ZME 0.9260
66 ONR 0.9258
67 PD2 0.9252
68 BZQ 0.9248
69 BZE 0.9248
70 LTN 0.9242
71 JCZ 0.9242
72 C0W 0.9239
73 GO2 0.9232
74 IQ5 0.9229
75 CKA 0.9225
76 6TZ 0.9221
77 1SF 0.9218
78 3C5 0.9218
79 5E5 0.9215
80 CH9 0.9213
81 MIL 0.9210
82 61M 0.9209
83 3D8 0.9206
84 IOP 0.9206
85 4I8 0.9203
86 MNP 0.9201
87 PUE 0.9201
88 1FE 0.9200
89 0K7 0.9198
90 PIQ 0.9197
91 DTR 0.9193
92 492 0.9191
93 0F9 0.9189
94 RD4 0.9188
95 IOS 0.9186
96 PDC 0.9185
97 L22 0.9185
98 5V7 0.9184
99 TRP 0.9184
100 P4L 0.9183
101 6C8 0.9181
102 GZ2 0.9179
103 TSR 0.9177
104 92P 0.9175
105 TIA 0.9175
106 YTX 0.9173
107 VXX 0.9172
108 0NX 0.9170
109 54X 0.9170
110 22L 0.9170
111 NIR 0.9169
112 9BF 0.9168
113 QMS 0.9167
114 2JX 0.9162
115 7L4 0.9161
116 7MX 0.9159
117 AY4 0.9153
118 ISJ 0.9152
119 I2E 0.9151
120 0UL 0.9145
121 HA5 0.9143
122 5JT 0.9142
123 4G2 0.9140
124 TT4 0.9140
125 CSN 0.9134
126 M3E 0.9133
127 M4E 0.9132
128 3VQ 0.9130
129 8G6 0.9128
130 6FG 0.9126
131 7I2 0.9125
132 P93 0.9116
133 A9B 0.9116
134 A5H 0.9113
135 4AU 0.9111
136 0DF 0.9105
137 SSC 0.9103
138 DNF 0.9102
139 AZM 0.9097
140 NFZ 0.9097
141 0JD 0.9097
142 1VK 0.9096
143 EAJ 0.9096
144 MD6 0.9096
145 6KT 0.9095
146 5NN 0.9095
147 BP7 0.9093
148 344 0.9093
149 EV2 0.9092
150 3IL 0.9092
151 HA6 0.9088
152 5TO 0.9087
153 IWT 0.9079
154 M1Z 0.9076
155 3VW 0.9075
156 QR2 0.9075
157 HH6 0.9073
158 CFA 0.9072
159 ANC 0.9072
160 2UD 0.9067
161 A7H 0.9064
162 X48 0.9063
163 GNV 0.9062
164 9AP 0.9058
165 V2Z 0.9055
166 4V2 0.9054
167 1V3 0.9053
168 LDR 0.9053
169 5C1 0.9053
170 XEV 0.9048
171 E1T 0.9045
172 EQA 0.9045
173 N91 0.9044
174 M6Z 0.9044
175 TMG 0.9043
176 KP2 0.9042
177 B4O 0.9042
178 OKM 0.9042
179 NIY 0.9040
180 4TU 0.9040
181 6QF 0.9040
182 9FE 0.9038
183 SRO 0.9038
184 C4E 0.9035
185 YE7 0.9035
186 ODK 0.9031
187 6C9 0.9031
188 FC2 0.9029
189 7ZL 0.9029
190 VFM 0.9028
191 DNC 0.9027
192 9CE 0.9026
193 0OL 0.9026
194 C2Y 0.9026
195 SSY 0.9026
196 BPY 0.9025
197 N7I 0.9025
198 15N 0.9025
199 4Z9 0.9024
200 JP2 0.9023
201 L03 0.9023
202 2HC 0.9023
203 5GT 0.9021
204 IAC 0.9020
205 1QP 0.9019
206 DI9 0.9018
207 FER 0.9017
208 UN3 0.9016
209 JR2 0.9016
210 PEY 0.9015
211 QKU 0.9015
212 OW7 0.9013
213 1A7 0.9012
214 1AJ 0.9009
215 NAG 0.9006
216 28S 0.9006
217 3SU 0.9004
218 55D 0.9003
219 KYN 0.9002
220 6C4 0.9002
221 KF5 0.9001
222 5OO 0.9000
223 4ME 0.8997
224 A73 0.8996
225 833 0.8994
226 463 0.8994
227 7MW 0.8994
228 6C5 0.8994
229 4GU 0.8989
230 3GX 0.8987
231 5H6 0.8986
232 6DP 0.8986
233 1FL 0.8984
234 AJ1 0.8984
235 BVS 0.8982
236 8NX 0.8982
237 TSS 0.8982
238 MPV 0.8982
239 NDG 0.8979
240 4XF 0.8979
241 LJ3 0.8977
242 6DQ 0.8977
243 THA 0.8975
244 HLD 0.8974
245 4BL 0.8973
246 QUS 0.8973
247 1X8 0.8972
248 AVO 0.8970
249 QIV 0.8970
250 1F1 0.8968
251 2F6 0.8968
252 0GZ 0.8965
253 X6W 0.8964
254 M3Q 0.8963
255 7VP 0.8962
256 3VX 0.8961
257 8NB 0.8960
258 JMG 0.8960
259 KCH 0.8960
260 MXD 0.8959
261 6FB 0.8958
262 JF5 0.8957
263 EYJ 0.8957
264 B2T 0.8956
265 OA1 0.8956
266 PJW 0.8956
267 SKF 0.8955
268 2P3 0.8955
269 JTA 0.8954
270 2O6 0.8953
271 U4J 0.8951
272 3Y7 0.8951
273 657 0.8948
274 3A9 0.8947
275 ANF 0.8947
276 WLH 0.8946
277 P80 0.8945
278 MMJ 0.8943
279 2GD 0.8943
280 KLE 0.8942
281 RA7 0.8942
282 CKU 0.8940
283 8G0 0.8940
284 6HO 0.8939
285 96Z 0.8939
286 8XL 0.8938
287 0W1 0.8938
288 BQ5 0.8937
289 ENO 0.8936
290 6R8 0.8935
291 XCG 0.8935
292 6NT 0.8935
293 1ZC 0.8934
294 SOV 0.8934
295 BPU 0.8932
296 94W 0.8932
297 C0H 0.8932
298 2FX 0.8931
299 428 0.8931
300 28A 0.8930
301 FTV 0.8930
302 8CC 0.8929
303 BK9 0.8929
304 2QU 0.8926
305 3ZB 0.8926
306 3J8 0.8926
307 WUB 0.8926
308 RSV 0.8925
309 CXH 0.8924
310 92G 0.8924
311 C82 0.8923
312 A29 0.8923
313 AA 0.8922
314 MS0 0.8921
315 BQ2 0.8921
316 9F8 0.8921
317 2LY 0.8920
318 B41 0.8919
319 P7Y 0.8918
320 VFG 0.8918
321 1XS 0.8917
322 0HN 0.8917
323 J9N 0.8916
324 9ZE 0.8915
325 XFE 0.8914
326 0HO 0.8914
327 5WT 0.8913
328 N3W 0.8910
329 LWS 0.8908
330 0FK 0.8907
331 9FH 0.8905
332 C53 0.8904
333 5LD 0.8904
334 68A 0.8904
335 TJM 0.8903
336 ZON 0.8902
337 0FR 0.8900
338 KYA 0.8899
339 7FF 0.8897
340 Y3L 0.8896
341 Q0K 0.8893
342 CWJ 0.8893
343 THM 0.8893
344 NKI 0.8892
345 2ZM 0.8892
346 DBE 0.8891
347 1V1 0.8891
348 2HU 0.8891
349 RCV 0.8891
350 28B 0.8890
351 GJK 0.8890
352 V1T 0.8889
353 20D 0.8885
354 2JK 0.8885
355 EUE 0.8884
356 8D6 0.8881
357 RGK 0.8879
358 9R5 0.8878
359 1V4 0.8878
360 DHC 0.8878
361 36Z 0.8877
362 S0E 0.8877
363 3QV 0.8875
364 CX4 0.8875
365 OVP 0.8874
366 SLS 0.8874
367 5WN 0.8871
368 25F 0.8870
369 NLA 0.8870
370 JDN 0.8870
371 JWS 0.8870
372 C9E 0.8870
373 PRZ 0.8870
374 0SY 0.8869
375 MAJ 0.8868
376 P9E 0.8868
377 DEW 0.8867
378 9XZ 0.8864
379 X11 0.8863
380 F31 0.8861
381 89J 0.8861
382 TQU 0.8861
383 ISC 0.8860
384 F12 0.8860
385 BBY 0.8859
386 TZM 0.8858
387 1HP 0.8858
388 GO8 0.8858
389 DDC 0.8858
390 4BY 0.8856
391 YZM 0.8856
392 M4N 0.8855
393 X0W 0.8855
394 S60 0.8854
395 272 0.8851
396 CUT 0.8850
397 8HC 0.8849
398 5AD 0.8848
399 OCZ 0.8848
400 MUR 0.8846
401 ZEA 0.8846
402 1HN 0.8846
403 EQW 0.8845
404 27M 0.8844
405 HJ7 0.8844
406 LR2 0.8843
407 DFL 0.8841
408 BGU 0.8841
409 BSA 0.8841
410 1IT 0.8840
411 BL0 0.8838
412 M78 0.8837
413 9JT 0.8837
414 H5B 0.8836
415 4KL 0.8836
416 B21 0.8836
417 2QV 0.8835
418 LZ5 0.8835
419 2LW 0.8834
420 67Y 0.8834
421 6NI 0.8832
422 ZYV 0.8831
423 D1Y 0.8828
424 NPA 0.8828
425 G6P 0.8827
426 549 0.8827
427 FF2 0.8826
428 ESI 0.8826
429 OVM 0.8825
430 774 0.8824
431 J38 0.8824
432 5NI 0.8823
433 3MB 0.8823
434 X2M 0.8822
435 1L5 0.8821
436 9CA 0.8820
437 KMY 0.8820
438 DK1 0.8820
439 GNJ 0.8820
440 ALE 0.8819
441 3F4 0.8819
442 5TY 0.8817
443 AJY 0.8816
444 GJP 0.8816
445 FDR 0.8814
446 JG8 0.8814
447 6NZ 0.8813
448 6PB 0.8810
449 ARP 0.8808
450 OW4 0.8807
451 36M 0.8806
452 KTW 0.8806
453 DDU 0.8805
454 AVX 0.8804
455 47V 0.8802
456 67X 0.8802
457 7M2 0.8801
458 W8L 0.8801
459 JFS 0.8798
460 3NY 0.8798
461 HX4 0.8796
462 TU0 0.8796
463 HJH 0.8795
464 069 0.8795
465 BIO 0.8794
466 VNL 0.8793
467 NWD 0.8793
468 W81 0.8792
469 SZ5 0.8791
470 PH3 0.8791
471 5GV 0.8790
472 ABI 0.8790
473 4NR 0.8790
474 CK2 0.8789
475 ZYR 0.8789
476 PRL 0.8788
477 ZRK 0.8787
478 MUK 0.8785
479 YZ9 0.8784
480 EN1 0.8782
481 7M5 0.8781
482 7ME 0.8780
483 AN3 0.8780
484 S3P 0.8779
485 NLQ 0.8776
486 14W 0.8776
487 P9I 0.8776
488 OQC 0.8776
489 GF4 0.8775
490 LNR 0.8775
491 AX3 0.8774
492 8WZ 0.8772
493 5DL 0.8772
494 XM5 0.8770
495 5XC 0.8768
496 AJG 0.8767
497 FQX 0.8765
498 EV3 0.8764
499 O2A 0.8763
500 VFJ 0.8762
501 78U 0.8761
502 PH2 0.8760
503 VGS 0.8760
504 S7S 0.8758
505 PRO GLY 0.8757
506 HSA 0.8756
507 PZX 0.8756
508 4Z1 0.8756
509 HC4 0.8755
510 CDJ 0.8755
511 ERZ 0.8754
512 ZHA 0.8753
513 EXR 0.8753
514 HBI 0.8753
515 ET0 0.8752
516 46P 0.8752
517 M2K 0.8752
518 GDL 0.8751
519 MB1 0.8750
520 X0U 0.8749
521 J6W 0.8748
522 45L 0.8747
523 H7Y 0.8746
524 CK1 0.8746
525 IQW 0.8745
526 AP6 0.8745
527 DA4 0.8745
528 MS9 0.8744
529 LF5 0.8743
530 9FL 0.8741
531 39Z 0.8740
532 FHI 0.8739
533 UNJ 0.8739
534 NNR 0.8739
535 CNI 0.8738
536 GNY 0.8737
537 H2W 0.8737
538 F2W 0.8734
539 CIY 0.8734
540 BZM 0.8733
541 PPY 0.8733
542 NIF 0.8732
543 8WO 0.8731
544 OTD 0.8731
545 GNR 0.8731
546 4A5 0.8731
547 DG2 0.8729
548 S2T 0.8728
549 6HP 0.8727
550 TR4 0.8727
551 0DN 0.8725
552 BA5 0.8722
553 JB8 0.8722
554 5OF 0.8720
555 7MU 0.8719
556 B86 0.8719
557 O2Y 0.8719
558 FWD 0.8719
559 JAW 0.8718
560 25O 0.8716
561 J9T 0.8716
562 DUR 0.8713
563 APS 0.8712
564 H7S 0.8712
565 TB8 0.8711
566 TXW 0.8711
567 3R6 0.8710
568 L07 0.8709
569 VT3 0.8708
570 B1J 0.8707
571 F6P 0.8707
572 GB4 0.8706
573 TIZ 0.8704
574 E9S 0.8703
575 JY2 0.8703
576 IDZ 0.8703
577 AZY 0.8702
578 F4E 0.8701
579 NFM 0.8700
580 12T 0.8699
581 GOE 0.8699
582 HKK 0.8698
583 ID2 0.8698
584 KOM 0.8696
585 HNT 0.8696
586 LP8 0.8696
587 3R4 0.8692
588 M3W 0.8691
589 5RP 0.8690
590 N9J 0.8690
591 ZEZ 0.8689
592 7WR 0.8689
593 KJU 0.8689
594 JF8 0.8686
595 GVY 0.8685
596 3CX 0.8684
597 SOJ 0.8683
598 4F8 0.8683
599 OAI 0.8682
600 LI7 0.8681
601 W29 0.8679
602 977 0.8677
603 FUD 0.8677
604 ITE 0.8677
605 6HX 0.8676
606 BY5 0.8675
607 F63 0.8674
608 6QT 0.8674
609 BOQ 0.8671
610 7FU 0.8671
611 EV0 0.8671
612 FHC 0.8670
613 EXD 0.8670
614 4MB 0.8668
615 MCY 0.8668
616 N2I 0.8668
617 N0Z 0.8667
618 BNL 0.8666
619 DAH 0.8665
620 DCZ 0.8665
621 CU8 0.8664
622 KDV 0.8663
623 4FE 0.8663
624 TYR 0.8662
625 4RU 0.8661
626 1Q4 0.8660
627 VJJ 0.8660
628 CHQ 0.8660
629 ESX 0.8657
630 4LV 0.8657
631 JXT 0.8657
632 AJD 0.8656
633 7VF 0.8656
634 A98 0.8654
635 68B 0.8653
636 4TP 0.8652
637 H4B 0.8651
638 ZSP 0.8651
639 52C 0.8650
640 H35 0.8649
641 ZYQ 0.8649
642 MFR 0.8646
643 92O 0.8646
644 LIG 0.8644
645 MKN 0.8643
646 54E 0.8643
647 KDG 0.8640
648 JF2 0.8640
649 50C 0.8638
650 JYT 0.8637
651 6ZX 0.8637
652 DMA 0.8636
653 S62 0.8636
654 7EH 0.8635
655 M83 0.8635
656 RQD 0.8635
657 OSB 0.8633
658 878 0.8633
659 GLO 0.8633
660 NVU 0.8630
661 6JO 0.8629
662 ASE 0.8628
663 PLP 0.8628
664 PQZ 0.8628
665 BG6 0.8627
666 78P 0.8626
667 4NP 0.8626
668 B2Y 0.8626
669 T03 0.8625
670 HHS 0.8623
671 4MU 0.8623
672 ZIP 0.8623
673 HWH 0.8621
674 FZM 0.8619
675 7OD 0.8618
676 M9N 0.8614
677 HBO 0.8613
678 K82 0.8613
679 49O 0.8613
680 JRB 0.8610
681 LJ4 0.8609
682 3TC 0.8609
683 SNJ 0.8609
684 6ZW 0.8609
685 4VY 0.8608
686 JGB 0.8607
687 GN6 0.8607
688 90G 0.8607
689 A5E 0.8606
690 N2M 0.8605
691 P81 0.8605
692 F4K 0.8603
693 5KN 0.8598
694 4EU 0.8598
695 E9L 0.8598
696 Z21 0.8593
697 5BT 0.8591
698 CE2 0.8590
699 4CN 0.8585
700 BHS 0.8578
701 6J3 0.8577
702 OMD 0.8574
703 3D1 0.8573
704 4LW 0.8568
705 N2Z 0.8564
706 N8Y 0.8562
707 B23 0.8560
708 8HH 0.8559
709 MER 0.8559
710 9FG 0.8556
711 TLM 0.8554
712 MVH 0.8551
713 R2P 0.8550
714 4R1 0.8546
715 N2Y 0.8544
716 DHY 0.8540
717 DE3 0.8535
718 WSD 0.8534
719 SG2 0.8532
720 VUP 0.8531
721 SYR 0.8523
722 0BP 0.8519
723 IPT 0.8519
724 5SP 0.8513
725 MFZ 0.8512
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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