Receptor
PDB id Resolution Class Description Source Keywords
5QA7 1.82 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 4B 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
EDO A:304;
D:302;
B:302;
A:303;
B:303;
A:302;
C:302;
D:303;
C:303;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
IQQ A:301;
B:301;
C:301;
D:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 110 uM
214.217 C13 H10 O3 c1cc(...
CL A:305;
B:304;
 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: IQQ; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 IQQ 1 1
2 JSX 0.613636 1
3 L5D 0.613636 0.65
4 3HB 0.578947 0.842105
5 Q4G 0.577778 0.608696
6 XEV 0.5625 0.818182
7 S1D 0.543478 0.608696
8 U4J 0.541667 0.818182
9 QKU 0.541667 0.652174
10 TVC 0.54 0.7
11 AUV 0.45098 0.904762
12 E42 0.428571 0.633333
13 53C 0.418605 0.65
14 EAJ 0.410714 0.75
15 3DL 0.4 0.678571
Similar Ligands (3D)
Ligand no: 1; Ligand: IQQ; Similar ligands found: 550
No: Ligand Similarity coefficient
1 KCH 0.9813
2 AVA 0.9805
3 5F8 0.9771
4 WVV 0.9769
5 TI7 0.9748
6 5FL 0.9683
7 5TZ 0.9680
8 VM1 0.9596
9 28A 0.9595
10 49P 0.9565
11 JWS 0.9542
12 4FF 0.9531
13 1XS 0.9511
14 M83 0.9507
15 5F5 0.9499
16 FC2 0.9476
17 0LO 0.9463
18 X6P 0.9456
19 4GU 0.9450
20 XI7 0.9432
21 1ER 0.9427
22 28B 0.9413
23 VAO 0.9410
24 2D2 0.9404
25 5B2 0.9396
26 ZZA 0.9392
27 LL1 0.9390
28 LFQ 0.9387
29 4G2 0.9386
30 TIA 0.9385
31 2QU 0.9382
32 9CE 0.9372
33 7L4 0.9356
34 G14 0.9353
35 YE6 0.9353
36 FCD 0.9351
37 5JT 0.9340
38 833 0.9330
39 1ZC 0.9329
40 K48 0.9326
41 EQA 0.9324
42 5P3 0.9321
43 VBC 0.9321
44 4AU 0.9320
45 5E5 0.9319
46 0RY 0.9312
47 L1T 0.9307
48 78Y 0.9305
49 JCZ 0.9299
50 HH6 0.9294
51 RVE 0.9287
52 EWG 0.9284
53 5ER 0.9272
54 5C1 0.9272
55 II4 0.9270
56 2GD 0.9268
57 F40 0.9267
58 PZ8 0.9265
59 3C5 0.9256
60 RKV 0.9253
61 6MW 0.9250
62 KWB 0.9250
63 1SF 0.9247
64 PIQ 0.9244
65 PUE 0.9242
66 3D8 0.9239
67 BXZ 0.9238
68 272 0.9233
69 2P3 0.9229
70 L2K 0.9226
71 CK2 0.9226
72 6C8 0.9223
73 C4E 0.9223
74 0DF 0.9220
75 1FL 0.9209
76 0FS 0.9209
77 0K7 0.9206
78 RK4 0.9204
79 1AJ 0.9202
80 IDZ 0.9199
81 A9B 0.9198
82 TIZ 0.9196
83 0UL 0.9195
84 ZYV 0.9193
85 X6W 0.9191
86 SSY 0.9191
87 DXK 0.9190
88 FNA 0.9189
89 3GX 0.9187
90 VJJ 0.9184
91 AED 0.9179
92 9JT 0.9179
93 2QV 0.9178
94 GZV 0.9177
95 EFX 0.9173
96 AV4 0.9172
97 5NN 0.9167
98 AVX 0.9167
99 FHI 0.9165
100 BVS 0.9158
101 3RP 0.9157
102 6JO 0.9155
103 THM 0.9153
104 OA1 0.9153
105 536 0.9151
106 MIL 0.9150
107 6DQ 0.9147
108 6QT 0.9146
109 3CA 0.9145
110 27M 0.9144
111 JMG 0.9142
112 0NX 0.9141
113 7ZL 0.9139
114 HA6 0.9136
115 P2L 0.9135
116 B2T 0.9134
117 UN3 0.9129
118 CK1 0.9128
119 RGK 0.9128
120 6PB 0.9127
121 U7E 0.9126
122 P4L 0.9123
123 DDC 0.9122
124 ZME 0.9117
125 NK5 0.9116
126 2LW 0.9116
127 LEL 0.9115
128 3VQ 0.9114
129 6NZ 0.9113
130 108 0.9112
131 1V1 0.9111
132 KYN 0.9111
133 A73 0.9110
134 2JX 0.9106
135 U14 0.9103
136 6HO 0.9103
137 9UL 0.9102
138 V2Z 0.9100
139 D1Y 0.9099
140 AMR 0.9098
141 3F4 0.9098
142 DTR 0.9096
143 BZQ 0.9092
144 D3G 0.9091
145 E9S 0.9090
146 363 0.9090
147 B4L 0.9089
148 SZ5 0.9087
149 ODK 0.9084
150 ENG 0.9082
151 1V4 0.9081
152 TRP 0.9079
153 KLE 0.9077
154 X2M 0.9077
155 NNR 0.9076
156 NKI 0.9071
157 5V7 0.9071
158 20D 0.9066
159 2GQ 0.9066
160 7VF 0.9065
161 3IL 0.9064
162 LI7 0.9064
163 6L6 0.9063
164 25F 0.9063
165 D1G 0.9063
166 8CC 0.9059
167 D2G 0.9056
168 XDK 0.9056
169 BZE 0.9056
170 4Z9 0.9055
171 47V 0.9054
172 BBY 0.9052
173 G30 0.9050
174 1HP 0.9050
175 BP7 0.9049
176 CUQ 0.9045
177 XDL XYP 0.9043
178 22L 0.9042
179 KP2 0.9041
180 1V3 0.9039
181 CJZ 0.9037
182 69W 0.9035
183 KLS 0.9033
184 5E4 0.9033
185 BSV 0.9030
186 JF5 0.9027
187 6J3 0.9026
188 4EU 0.9025
189 EVO 0.9025
190 9RM 0.9023
191 6J9 0.9018
192 P93 0.9016
193 NIR 0.9016
194 LR2 0.9016
195 5TO 0.9014
196 FCW 0.9013
197 TJM 0.9013
198 4ZF 0.9011
199 KWV 0.9011
200 M3E 0.9009
201 Q2S 0.9008
202 UKV 0.9008
203 TCR 0.9006
204 5AD 0.9003
205 DFL 0.9001
206 GN6 0.9000
207 7G2 0.9000
208 36Z 0.9000
209 MMJ 0.8997
210 W8L 0.8996
211 EQW 0.8995
212 79W 0.8991
213 6FG 0.8991
214 3CX 0.8991
215 0FR 0.8989
216 X48 0.8988
217 0OL 0.8987
218 AJD 0.8986
219 15Q 0.8983
220 NFZ 0.8982
221 XYP XDN 0.8980
222 NIY 0.8976
223 531 0.8976
224 A6W 0.8975
225 FHV 0.8974
226 ID8 0.8973
227 ISC 0.8972
228 2GE 0.8970
229 FT6 0.8967
230 DBS 0.8966
231 C53 0.8965
232 9FH 0.8965
233 NAL 0.8963
234 60L 0.8963
235 6C9 0.8962
236 C0H 0.8960
237 IA2 0.8959
238 CDJ 0.8959
239 GNW 0.8958
240 3VW 0.8957
241 NQ7 0.8956
242 LWS 0.8955
243 LTN 0.8952
244 JFS 0.8951
245 4F8 0.8949
246 YE7 0.8948
247 6XC 0.8947
248 HKK 0.8947
249 3SU 0.8946
250 ZRK 0.8941
251 XTS 0.8941
252 X11 0.8941
253 B4O 0.8940
254 P9I 0.8938
255 SOJ 0.8936
256 BPY 0.8935
257 LRW 0.8933
258 H2W 0.8932
259 KW7 0.8931
260 PZX 0.8930
261 C0W 0.8929
262 MUK 0.8928
263 AP6 0.8925
264 4Z1 0.8924
265 AQ1 0.8922
266 VM7 0.8920
267 EZN 0.8920
268 WLH 0.8919
269 U12 0.8919
270 URI 0.8918
271 KF5 0.8917
272 8OB 0.8915
273 DBE 0.8915
274 DE7 0.8913
275 9BF 0.8910
276 96Z 0.8908
277 ELH 0.8907
278 0SY 0.8907
279 RFZ 0.8906
280 NIF 0.8904
281 IOP 0.8901
282 1HR 0.8899
283 5AE 0.8898
284 LJ4 0.8897
285 LJ3 0.8897
286 6C5 0.8896
287 F16 0.8896
288 7M5 0.8894
289 4CN 0.8894
290 SOV 0.8891
291 78U 0.8889
292 4I8 0.8888
293 38E 0.8887
294 9X3 0.8886
295 7R4 0.8882
296 E9L 0.8880
297 DUR 0.8880
298 MQS 0.8879
299 XYP XIF 0.8879
300 XIF XYP 0.8879
301 IWH 0.8879
302 5VU 0.8878
303 8D6 0.8877
304 MQR 0.8876
305 5S9 0.8875
306 F63 0.8875
307 Q0K 0.8874
308 5P7 0.8874
309 JF8 0.8872
310 CU8 0.8871
311 9XZ 0.8869
312 NWD 0.8868
313 H35 0.8866
314 ZEZ 0.8866
315 90G 0.8866
316 ERZ 0.8863
317 THU 0.8863
318 TLF 0.8863
319 57D 0.8859
320 H70 0.8859
321 EAT 0.8858
322 W29 0.8855
323 WDW 0.8852
324 GZ2 0.8852
325 PCQ 0.8851
326 Q92 0.8851
327 AV7 0.8851
328 M5H 0.8849
329 A4G 0.8848
330 6ZW 0.8848
331 2JM 0.8847
332 FER 0.8845
333 BXS 0.8843
334 SNB 0.8842
335 3AK 0.8840
336 B21 0.8840
337 JI2 0.8840
338 0XR 0.8839
339 5WN 0.8837
340 6JM 0.8834
341 N1E 0.8833
342 0OM 0.8832
343 R20 0.8831
344 K80 0.8830
345 BZC 0.8827
346 3WO 0.8825
347 3WN 0.8825
348 0DN 0.8823
349 N2Y 0.8822
350 ITW 0.8821
351 4NR 0.8821
352 LNN 0.8820
353 7M2 0.8820
354 5BT 0.8819
355 7EH 0.8819
356 6EN 0.8819
357 PBQ 0.8818
358 IQW 0.8817
359 1Q4 0.8816
360 BIE 0.8816
361 S2X 0.8814
362 1KN 0.8811
363 VT3 0.8807
364 EV2 0.8807
365 BQ5 0.8806
366 IK1 0.8806
367 3Y7 0.8806
368 NE2 0.8806
369 XYP XYP 0.8804
370 XYS XYS 0.8804
371 1VK 0.8802
372 795 0.8802
373 KOM 0.8802
374 92G 0.8801
375 51Y 0.8800
376 B23 0.8800
377 NYJ 0.8800
378 3WJ 0.8799
379 ID2 0.8798
380 AUG 0.8797
381 TCL 0.8793
382 GJK 0.8793
383 U13 0.8792
384 6BK 0.8791
385 68B 0.8791
386 FLF 0.8790
387 CC5 0.8789
388 MD6 0.8789
389 0DJ 0.8788
390 MFR 0.8786
391 78P 0.8786
392 LU2 0.8785
393 CC6 0.8783
394 PE2 0.8783
395 AJ4 0.8780
396 B86 0.8775
397 3DE 0.8775
398 S8G 0.8773
399 M3W 0.8773
400 A51 0.8773
401 54X 0.8771
402 581 0.8770
403 Q5M 0.8769
404 6FX 0.8768
405 CUT 0.8763
406 YZ9 0.8761
407 H7S 0.8760
408 QME 0.8754
409 CSN 0.8754
410 1V8 0.8753
411 7I2 0.8753
412 BNY 0.8747
413 F18 0.8747
414 RAY 0.8746
415 DCZ 0.8744
416 CFK 0.8743
417 SQM 0.8743
418 XZ8 0.8741
419 BSA 0.8740
420 977 0.8740
421 6HX 0.8740
422 AZY 0.8738
423 6DH 0.8735
424 RA7 0.8734
425 3AD 0.8733
426 NE1 0.8732
427 7FZ 0.8730
428 GXG 0.8728
429 5I5 0.8727
430 25O 0.8725
431 3JC 0.8724
432 91F 0.8723
433 CUH 0.8723
434 LVY 0.8722
435 K6B 0.8719
436 T21 0.8718
437 5H6 0.8718
438 P1J 0.8718
439 MCY 0.8718
440 GXD 0.8717
441 ZRL 0.8716
442 ADN 0.8715
443 5M2 0.8712
444 0OK 0.8712
445 AUE 0.8710
446 C82 0.8707
447 DHC 0.8707
448 9FG 0.8706
449 TR4 0.8706
450 RSV 0.8706
451 M4N 0.8704
452 3D1 0.8700
453 N9J 0.8700
454 HQJ 0.8700
455 A63 0.8698
456 683 0.8698
457 AOY 0.8697
458 F01 0.8696
459 4K2 0.8695
460 AH3 0.8694
461 WOE 0.8693
462 IPJ 0.8693
463 5KN 0.8691
464 MXD 0.8690
465 MZM 0.8690
466 SNJ 0.8689
467 D9Z 0.8688
468 GNG 0.8688
469 GOE 0.8685
470 NAR 0.8684
471 H4B 0.8684
472 M1Z 0.8683
473 1A7 0.8681
474 RE4 0.8680
475 50Q 0.8679
476 Q8G 0.8678
477 AX8 0.8678
478 1Q2 0.8676
479 4RG 0.8674
480 7O4 0.8673
481 BJ4 0.8672
482 TVZ 0.8671
483 SGW 0.8671
484 37E 0.8667
485 89J 0.8667
486 2OH 0.8667
487 BQ2 0.8667
488 CTN 0.8666
489 92O 0.8664
490 FMQ 0.8663
491 TT4 0.8660
492 HJH 0.8657
493 FL8 0.8656
494 RQD 0.8656
495 D25 0.8655
496 ZIP 0.8652
497 DFV 0.8652
498 D8Q 0.8648
499 FTV 0.8647
500 QMS 0.8645
501 38B 0.8643
502 4XF 0.8642
503 BP3 0.8640
504 7MW 0.8636
505 36M 0.8631
506 6DE 0.8630
507 14W 0.8630
508 0ON 0.8629
509 7DE 0.8624
510 5ZM 0.8622
511 DAH 0.8622
512 1UZ 0.8620
513 TZM 0.8620
514 7VP 0.8618
515 0OP 0.8615
516 AYS 0.8613
517 CL9 0.8611
518 6C4 0.8607
519 7XX 0.8606
520 FWD 0.8604
521 8HG 0.8602
522 3WL 0.8600
523 MT6 0.8594
524 CWD 0.8591
525 G6P 0.8588
526 JGB 0.8584
527 1QP 0.8584
528 5WW 0.8584
529 JGY 0.8582
530 NAG 0.8578
531 NOS 0.8577
532 JE7 0.8570
533 NU3 0.8570
534 OUA 0.8563
535 LP8 0.8560
536 U98 0.8555
537 5CD 0.8555
538 ISJ 0.8543
539 TGW 0.8540
540 3L1 0.8539
541 CMG 0.8538
542 QUE 0.8534
543 OUG 0.8522
544 AH9 0.8519
545 KMP 0.8519
546 ET0 0.8512
547 VXX 0.8512
548 43F 0.8510
549 GMP 0.8508
550 Q8D 0.8507
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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