Receptor
PDB id Resolution Class Description Source Keywords
5DVA 2.5 Å EC: 3.5.2.6 FRAGMENTS BOUND TO THE OXA-48 BETA-LACTAMASE: COMPOUND 1 KLEBSIELLA PNEUMONIAE HYDROLASE INHIBITOR COMPLEX FRAGMENT LACTAMASE
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
5FL C:301;
A:301;
D:301;
B:301;
 Valid;
Valid;
Valid;
Valid;
 Atoms found MORE than expected: % Diff = 2;
none;
Atoms found MORE than expected: % Diff = 2;
none;
 Kd = 280 uM
199.205 C12 H9 N O2 c1cc(...
CL C: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: 5FL; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 5FL 1 1
2 5F8 0.586957 1
3 5F3 0.55814 0.9
4 L5D 0.531915 0.684211
5 AVA 0.48 0.947368
6 TVC 0.471698 0.65
7 Q92 0.440678 0.857143
8 Q2S 0.438596 0.68
9 TI7 0.415094 0.619048
10 7L9 0.413793 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: 5FL; Similar ligands found: 696
No: Ligand Similarity coefficient
1 0LO 1.0000
2 5F5 0.9839
3 EWG 0.9823
4 S1D 0.9789
5 JSX 0.9785
6 VBC 0.9776
7 VM1 0.9771
8 AUV 0.9744
9 5TZ 0.9725
10 LEL 0.9703
11 LL1 0.9686
12 Q4G 0.9685
13 IQQ 0.9683
14 4FF 0.9673
15 LFQ 0.9644
16 WVV 0.9642
17 78Y 0.9630
18 RKV 0.9628
19 5B2 0.9624
20 XI7 0.9618
21 K48 0.9609
22 X6P 0.9563
23 ZZA 0.9555
24 1ER 0.9541
25 DXK 0.9538
26 KWB 0.9530
27 G14 0.9527
28 L1T 0.9525
29 RVE 0.9515
30 5P3 0.9508
31 FCD 0.9506
32 3D8 0.9497
33 U7E 0.9497
34 49P 0.9495
35 5E5 0.9478
36 1SF 0.9475
37 2D2 0.9465
38 3VQ 0.9460
39 YE6 0.9441
40 D2G 0.9425
41 0K7 0.9421
42 6MW 0.9420
43 II4 0.9416
44 4AU 0.9412
45 A6W 0.9412
46 F40 0.9405
47 D1G 0.9394
48 9UL 0.9388
49 363 0.9383
50 3C5 0.9366
51 60L 0.9366
52 4G2 0.9365
53 U4J 0.9365
54 P4L 0.9364
55 JCZ 0.9363
56 7L4 0.9360
57 JF5 0.9355
58 2GQ 0.9355
59 4GU 0.9355
60 BIK 0.9354
61 28A 0.9346
62 0DF 0.9345
63 3GV 0.9337
64 PIQ 0.9331
65 ODK 0.9326
66 XEV 0.9322
67 XDK 0.9316
68 C0W 0.9315
69 EAJ 0.9311
70 NIR 0.9308
71 HH6 0.9307
72 D3G 0.9306
73 0NX 0.9304
74 BZQ 0.9304
75 9CE 0.9297
76 TCR 0.9295
77 MIL 0.9293
78 BZE 0.9292
79 A9B 0.9290
80 DTR 0.9283
81 6J9 0.9282
82 M3E 0.9280
83 SSY 0.9279
84 6C8 0.9274
85 BP7 0.9271
86 5JT 0.9270
87 1FL 0.9266
88 IQ5 0.9265
89 6FG 0.9263
90 V2Z 0.9260
91 JMG 0.9260
92 2JX 0.9255
93 0UL 0.9251
94 TIA 0.9241
95 TRP 0.9238
96 1XS 0.9237
97 833 0.9234
98 A5H 0.9233
99 M5H 0.9233
100 7O4 0.9232
101 ZME 0.9231
102 PUE 0.9230
103 HA6 0.9229
104 5TO 0.9227
105 LTN 0.9224
106 795 0.9215
107 AMR 0.9212
108 QR2 0.9211
109 KCH 0.9209
110 5C1 0.9209
111 KLE 0.9205
112 2QV 0.9205
113 RK4 0.9199
114 1FE 0.9198
115 5H6 0.9198
116 8CC 0.9195
117 QKU 0.9195
118 P93 0.9194
119 X6W 0.9194
120 NK5 0.9193
121 C4E 0.9188
122 BVS 0.9187
123 WLH 0.9187
124 6C9 0.9186
125 KP2 0.9185
126 22L 0.9184
127 YE7 0.9183
128 7ZL 0.9183
129 3IL 0.9175
130 X48 0.9173
131 GNV 0.9173
132 1AJ 0.9165
133 UN3 0.9165
134 FC2 0.9163
135 R20 0.9160
136 28B 0.9160
137 JTA 0.9160
138 DFL 0.9160
139 6DQ 0.9158
140 9JT 0.9157
141 LJ3 0.9156
142 AVX 0.9155
143 LWS 0.9149
144 BPY 0.9148
145 5NN 0.9147
146 6C5 0.9146
147 S7S 0.9144
148 3VW 0.9144
149 9BF 0.9143
150 GZ2 0.9138
151 RGK 0.9137
152 MMJ 0.9135
153 1VK 0.9135
154 I2E 0.9134
155 EVO 0.9132
156 EYJ 0.9131
157 2QU 0.9130
158 A73 0.9127
159 47V 0.9126
160 BBY 0.9126
161 JFS 0.9125
162 B4O 0.9121
163 LZ5 0.9120
164 1V1 0.9119
165 B2T 0.9116
166 KYN 0.9114
167 NIY 0.9113
168 5V7 0.9113
169 NKI 0.9113
170 IDZ 0.9112
171 PQT 0.9109
172 NFZ 0.9108
173 0SY 0.9107
174 AJ1 0.9107
175 LR2 0.9105
176 EQA 0.9104
177 20D 0.9103
178 25F 0.9103
179 4Z9 0.9103
180 3F4 0.9102
181 SZ5 0.9101
182 Q0K 0.9099
183 L22 0.9099
184 1ZC 0.9096
185 6TZ 0.9092
186 IOP 0.9090
187 WCU 0.9089
188 HQJ 0.9089
189 1HP 0.9089
190 272 0.9088
191 C82 0.9086
192 BZM 0.9086
193 BZJ 0.9083
194 CDJ 0.9083
195 PZX 0.9079
196 3Y7 0.9075
197 92G 0.9072
198 2P3 0.9070
199 4XF 0.9070
200 H2W 0.9067
201 SOV 0.9065
202 6QT 0.9065
203 KF5 0.9064
204 2LW 0.9064
205 OCZ 0.9064
206 27M 0.9061
207 DBE 0.9060
208 2GD 0.9060
209 FHI 0.9058
210 QIV 0.9058
211 2UZ 0.9055
212 344 0.9055
213 9XZ 0.9054
214 D1Y 0.9045
215 FER 0.9045
216 8G6 0.9043
217 KW8 0.9040
218 MUK 0.9039
219 0FR 0.9039
220 DDC 0.9039
221 3GX 0.9035
222 L5V 0.9035
223 7VF 0.9034
224 OA1 0.9032
225 VT3 0.9030
226 6NZ 0.9029
227 4V2 0.9029
228 DRG 0.9029
229 1V4 0.9027
230 C53 0.9027
231 B21 0.9026
232 54X 0.9026
233 3SU 0.9025
234 BGU 0.9023
235 BQ5 0.9022
236 M3W 0.9022
237 EQW 0.9022
238 8D6 0.9021
239 VFM 0.9020
240 6HO 0.9019
241 NAL 0.9017
242 ONR 0.9016
243 4ZF 0.9016
244 TJM 0.9016
245 96Z 0.9010
246 C0H 0.9007
247 1V3 0.9004
248 W8L 0.9003
249 P9I 0.9003
250 108 0.9002
251 S60 0.9001
252 NIF 0.9001
253 IWT 0.9000
254 MD6 0.8998
255 LRW 0.8997
256 L2K 0.8996
257 6PB 0.8995
258 0OL 0.8995
259 3CX 0.8995
260 BQ2 0.8994
261 CH9 0.8993
262 55D 0.8991
263 VFG 0.8990
264 THM 0.8989
265 7EH 0.8989
266 0OY 0.8987
267 4I8 0.8986
268 CK2 0.8984
269 4NR 0.8982
270 492 0.8981
271 ERZ 0.8980
272 L03 0.8979
273 JWS 0.8979
274 JP2 0.8978
275 BSA 0.8977
276 4F8 0.8976
277 7I2 0.8972
278 EV2 0.8970
279 LNN 0.8968
280 36Z 0.8967
281 MXD 0.8963
282 WUB 0.8962
283 6FB 0.8960
284 H35 0.8958
285 TIZ 0.8955
286 X11 0.8954
287 ZEA 0.8954
288 9F8 0.8952
289 B4L 0.8950
290 TT4 0.8948
291 MNP 0.8946
292 5WT 0.8945
293 MEX 0.8944
294 2UD 0.8943
295 ZRK 0.8942
296 X2M 0.8942
297 7M2 0.8941
298 IQW 0.8940
299 N7I 0.8939
300 J38 0.8937
301 CSN 0.8936
302 RSV 0.8934
303 7M5 0.8933
304 68B 0.8933
305 7G2 0.8933
306 36M 0.8933
307 5WN 0.8932
308 SOJ 0.8932
309 XFE 0.8932
310 9FH 0.8929
311 M4N 0.8929
312 M1Z 0.8928
313 RCV 0.8927
314 E9L 0.8927
315 3DE 0.8927
316 GNJ 0.8925
317 61M 0.8924
318 CU8 0.8923
319 Y3L 0.8922
320 90G 0.8921
321 7VP 0.8920
322 XCG 0.8919
323 D25 0.8919
324 5AD 0.8917
325 GNR 0.8915
326 AP6 0.8915
327 QMS 0.8915
328 MUR 0.8915
329 MZM 0.8914
330 BXZ 0.8914
331 39Z 0.8908
332 PRL 0.8907
333 GJK 0.8906
334 8NX 0.8906
335 ID8 0.8906
336 TMG 0.8904
337 ISC 0.8903
338 1Q4 0.8903
339 PZ8 0.8900
340 DHC 0.8900
341 IOS 0.8899
342 VGS 0.8899
343 AJD 0.8898
344 ANC 0.8897
345 YZM 0.8895
346 30G 0.8895
347 TVZ 0.8894
348 N9J 0.8894
349 7MW 0.8893
350 4Z1 0.8891
351 6JO 0.8890
352 P80 0.8888
353 FTV 0.8888
354 6J3 0.8887
355 CC5 0.8886
356 CFA 0.8886
357 F18 0.8885
358 U13 0.8884
359 5VU 0.8882
360 GO2 0.8881
361 U14 0.8881
362 R9G 0.8881
363 NNR 0.8881
364 RD4 0.8878
365 FHV 0.8875
366 P7V 0.8875
367 LI7 0.8875
368 SNJ 0.8874
369 HKK 0.8874
370 6QF 0.8873
371 1A7 0.8872
372 D9Z 0.8871
373 DFV 0.8869
374 HA5 0.8869
375 FZ0 0.8867
376 LIG 0.8864
377 ENO 0.8863
378 GNY 0.8863
379 W29 0.8862
380 GXG 0.8862
381 2F6 0.8862
382 FQX 0.8861
383 657 0.8861
384 4BL 0.8860
385 3RP 0.8859
386 CKA 0.8858
387 0RY 0.8855
388 4EU 0.8855
389 CBE 0.8853
390 KOM 0.8851
391 57D 0.8849
392 AZM 0.8843
393 NU3 0.8843
394 Q5M 0.8842
395 JF8 0.8842
396 VAO 0.8842
397 F63 0.8841
398 6XC 0.8839
399 TOH 0.8838
400 0F9 0.8835
401 KMY 0.8833
402 GXD 0.8833
403 6C4 0.8831
404 NWD 0.8831
405 ZEZ 0.8831
406 TZM 0.8829
407 7R4 0.8828
408 CX4 0.8826
409 5GT 0.8826
410 CNI 0.8826
411 AZY 0.8825
412 RA7 0.8825
413 M4E 0.8824
414 B41 0.8824
415 EXR 0.8824
416 AJG 0.8822
417 91F 0.8821
418 4BY 0.8821
419 6KT 0.8820
420 G6P 0.8819
421 8UY 0.8819
422 14W 0.8815
423 EN1 0.8813
424 ET0 0.8813
425 UKV 0.8809
426 VFJ 0.8808
427 NRA 0.8807
428 78U 0.8805
429 YZ9 0.8804
430 HX4 0.8802
431 J1K 0.8802
432 LJ4 0.8799
433 774 0.8799
434 WDW 0.8798
435 ITE 0.8797
436 5GV 0.8797
437 MJW 0.8796
438 3ZB 0.8795
439 KWV 0.8794
440 B1J 0.8794
441 4FP 0.8793
442 G30 0.8793
443 4CN 0.8792
444 MPV 0.8791
445 DUR 0.8791
446 FZM 0.8791
447 GZV 0.8791
448 E9S 0.8791
449 89J 0.8788
450 CK1 0.8787
451 SRO 0.8786
452 HRM 0.8785
453 5ZM 0.8785
454 3JC 0.8783
455 2FX 0.8783
456 TR4 0.8779
457 5E4 0.8779
458 2PK 0.8779
459 9FG 0.8773
460 NAG 0.8771
461 M83 0.8769
462 KW7 0.8769
463 PD2 0.8768
464 N3W 0.8766
465 H4E 0.8766
466 FMQ 0.8766
467 AOY 0.8764
468 S62 0.8764
469 HSA 0.8764
470 FYR 0.8763
471 DDU 0.8763
472 ASE 0.8763
473 H7S 0.8762
474 78P 0.8759
475 AY4 0.8759
476 463 0.8759
477 51Y 0.8758
478 3VX 0.8758
479 GOE 0.8755
480 1X8 0.8755
481 ZIP 0.8755
482 549 0.8753
483 VXX 0.8751
484 HNT 0.8750
485 ALE 0.8750
486 NQ7 0.8750
487 BIO 0.8749
488 DAH 0.8749
489 GF4 0.8749
490 B86 0.8747
491 3TC 0.8745
492 AYS 0.8745
493 5LD 0.8744
494 6ZX 0.8742
495 SB7 0.8742
496 8NB 0.8739
497 CXH 0.8739
498 UNJ 0.8738
499 Q8G 0.8736
500 SU9 0.8735
501 2UV 0.8734
502 6DP 0.8733
503 TU0 0.8733
504 OKM 0.8731
505 F6P 0.8730
506 0OP 0.8729
507 TLF 0.8728
508 6ZW 0.8728
509 PF1 0.8728
510 SKF 0.8727
511 HNM 0.8726
512 ID2 0.8726
513 CWD 0.8725
514 ELH 0.8725
515 5KN 0.8724
516 68A 0.8724
517 NE2 0.8723
518 HJH 0.8723
519 SSC 0.8723
520 IPO 0.8722
521 B23 0.8722
522 H4B 0.8720
523 FWD 0.8719
524 VJJ 0.8719
525 8WZ 0.8719
526 MFR 0.8717
527 6JM 0.8717
528 0DN 0.8715
529 S0D 0.8713
530 JGB 0.8712
531 RQD 0.8711
532 2JK 0.8710
533 94W 0.8709
534 DNQ 0.8709
535 MS0 0.8709
536 TQU 0.8707
537 BJ4 0.8707
538 DX2 0.8706
539 5RP 0.8705
540 2PV 0.8704
541 2GE 0.8704
542 8HH 0.8703
543 37E 0.8703
544 DEW 0.8702
545 8HG 0.8701
546 2WU 0.8700
547 28S 0.8698
548 K6B 0.8698
549 FF2 0.8698
550 ZSP 0.8697
551 92P 0.8696
552 THA 0.8694
553 BY5 0.8694
554 7MX 0.8692
555 XZ8 0.8691
556 IK1 0.8691
557 N91 0.8691
558 F2W 0.8690
559 AJ4 0.8688
560 DNF 0.8688
561 BNL 0.8685
562 S98 0.8685
563 URI 0.8684
564 GT4 0.8680
565 GVY 0.8680
566 ZRL 0.8679
567 TYR 0.8679
568 2O6 0.8678
569 92O 0.8677
570 S0E 0.8676
571 3DT 0.8675
572 WOE 0.8675
573 5DL 0.8675
574 HWH 0.8670
575 MCY 0.8669
576 25O 0.8669
577 50C 0.8667
578 CUE 0.8667
579 V1T 0.8666
580 9FE 0.8666
581 X0W 0.8665
582 08C 0.8665
583 5OO 0.8662
584 LF5 0.8661
585 NDG 0.8659
586 MKN 0.8659
587 DBQ 0.8659
588 TB8 0.8657
589 CJZ 0.8654
590 11X 0.8654
591 LP8 0.8652
592 15Q 0.8652
593 R2P 0.8650
594 THU 0.8648
595 0W1 0.8648
596 CHQ 0.8647
597 X0U 0.8646
598 AWE 0.8646
599 SNB 0.8644
600 A51 0.8644
601 NPA 0.8640
602 2OH 0.8640
603 JR2 0.8638
604 1L5 0.8638
605 OAI 0.8638
606 PDC 0.8637
607 M78 0.8637
608 CKU 0.8636
609 977 0.8635
610 XYP XYP 0.8635
611 S3P 0.8634
612 3WL 0.8634
613 S2T 0.8633
614 AGI 0.8631
615 HL6 0.8630
616 0JD 0.8630
617 JG8 0.8629
618 A1Y 0.8629
619 9RM 0.8629
620 EV3 0.8628
621 CFK 0.8626
622 GO8 0.8626
623 P9E 0.8624
624 DCZ 0.8623
625 M9N 0.8622
626 DBS 0.8620
627 OTA 0.8619
628 HRX 0.8619
629 EZN 0.8616
630 A29 0.8616
631 MR6 0.8616
632 F1X 0.8615
633 I59 0.8615
634 O2Y 0.8615
635 3D1 0.8612
636 8XL 0.8612
637 GB4 0.8612
638 GN6 0.8612
639 9ZE 0.8612
640 AUE 0.8611
641 FDR 0.8611
642 ESI 0.8611
643 PQM 0.8610
644 PLP 0.8609
645 HC4 0.8607
646 SGW 0.8606
647 2HC 0.8605
648 4TU 0.8603
649 5BT 0.8602
650 Z21 0.8602
651 XRS 0.8602
652 9R5 0.8601
653 A63 0.8601
654 KPV 0.8601
655 46P 0.8600
656 E3X 0.8599
657 EFX 0.8597
658 4R1 0.8596
659 RAY 0.8595
660 6H2 0.8594
661 BG6 0.8593
662 5O6 0.8593
663 RFZ 0.8589
664 2JM 0.8585
665 38E 0.8580
666 BP3 0.8579
667 CIY 0.8577
668 IYR 0.8575
669 FHC 0.8574
670 K80 0.8574
671 CE2 0.8572
672 HBI 0.8572
673 NLQ 0.8570
674 7FU 0.8568
675 EUE 0.8568
676 WA2 0.8566
677 BA5 0.8563
678 8OB 0.8561
679 BL0 0.8560
680 0XT 0.8560
681 0XR 0.8559
682 CX5 0.8558
683 OW7 0.8555
684 535 0.8554
685 HJ8 0.8548
686 CC6 0.8548
687 N2Y 0.8548
688 3VS 0.8546
689 WS7 0.8545
690 P1J 0.8543
691 XYS XYS 0.8535
692 PRO GLY 0.8533
693 WSD 0.8531
694 GJP 0.8525
695 AH3 0.8524
696 CL9 0.8517
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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