Receptor
PDB id Resolution Class Description Source Keywords
5QA5 1.95 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 3B 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
L5D C:301;
A:301;
D:301;
B:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 300 uM
212.244 C14 H12 O2 Cc1cc...
EDO B:303;
C:303;
B:302;
D:306;
B:304;
A:303;
A:302;
D:305;
D:304;
 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)...
CL D:302;
D:303;
C:302;
 Invalid;
Invalid;
Invalid;
 none;
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: L5D; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 L5D 1 1
2 IQQ 0.613636 0.65
3 OVV 0.589744 0.785714
4 EFX 0.574468 0.736842
5 Q4G 0.565217 0.684211
6 QKU 0.5625 0.65
7 XEV 0.55102 0.666667
8 5FL 0.531915 0.684211
9 JSX 0.531915 0.65
10 S1D 0.531915 0.684211
11 U4J 0.530612 0.666667
12 5F8 0.520833 0.684211
13 TVC 0.5 0.8125
14 T7O 0.482143 0.636364
15 TI7 0.470588 0.875
16 AVA 0.423077 0.65
17 WVV 0.407407 0.619048
18 EAJ 0.403509 0.608696
Similar Ligands (3D)
Ligand no: 1; Ligand: L5D; Similar ligands found: 548
No: Ligand Similarity coefficient
1 KCH 0.9743
2 5TZ 0.9666
3 AUV 0.9664
4 M83 0.9559
5 II4 0.9557
6 VM1 0.9548
7 49P 0.9545
8 1XS 0.9537
9 28A 0.9531
10 4FF 0.9503
11 JWS 0.9500
12 FC2 0.9496
13 5F5 0.9482
14 4GU 0.9439
15 X6P 0.9428
16 VAO 0.9426
17 XI7 0.9416
18 KWB 0.9413
19 4G2 0.9411
20 28B 0.9400
21 TIZ 0.9390
22 ZZA 0.9378
23 1ER 0.9377
24 LL1 0.9372
25 WCU 0.9368
26 5B2 0.9362
27 LFQ 0.9359
28 2D2 0.9357
29 9CE 0.9355
30 VJJ 0.9343
31 2QU 0.9340
32 G14 0.9339
33 833 0.9335
34 5E5 0.9333
35 RKV 0.9328
36 FCD 0.9327
37 0LO 0.9322
38 0RY 0.9321
39 K48 0.9314
40 7L4 0.9309
41 5JT 0.9302
42 YE6 0.9292
43 2GD 0.9290
44 L1T 0.9288
45 3C5 0.9288
46 78Y 0.9285
47 1FL 0.9282
48 4AU 0.9277
49 PZ8 0.9272
50 EQA 0.9260
51 L2K 0.9253
52 1ZC 0.9246
53 DXK 0.9244
54 PIQ 0.9240
55 UKV 0.9239
56 5P3 0.9237
57 2P3 0.9236
58 ZYV 0.9230
59 RVE 0.9226
60 5C1 0.9220
61 TIA 0.9218
62 HH6 0.9217
63 CK2 0.9214
64 3D8 0.9210
65 6MW 0.9209
66 4ZF 0.9208
67 0FS 0.9208
68 1SF 0.9200
69 VBC 0.9200
70 2QV 0.9196
71 X6W 0.9188
72 5ER 0.9188
73 0K7 0.9188
74 0DF 0.9185
75 6DQ 0.9184
76 SSY 0.9184
77 BXZ 0.9181
78 CUQ 0.9179
79 IDZ 0.9176
80 F40 0.9174
81 P4L 0.9173
82 V2Z 0.9172
83 OA1 0.9172
84 0UL 0.9171
85 AVX 0.9170
86 EWG 0.9167
87 3GX 0.9165
88 6QT 0.9165
89 C4E 0.9164
90 272 0.9163
91 PUE 0.9162
92 5NN 0.9159
93 THM 0.9158
94 6NZ 0.9157
95 9JT 0.9156
96 U14 0.9156
97 6PB 0.9153
98 7VF 0.9152
99 A9B 0.9151
100 AV4 0.9150
101 P2L 0.9147
102 AED 0.9146
103 MMJ 0.9141
104 3RP 0.9140
105 0NX 0.9136
106 C0H 0.9135
107 U7E 0.9133
108 FCW 0.9132
109 JMG 0.9132
110 2LW 0.9128
111 B4L 0.9127
112 GZV 0.9126
113 3CA 0.9119
114 2GQ 0.9117
115 D1G 0.9116
116 RGK 0.9116
117 27M 0.9114
118 ZME 0.9113
119 BVS 0.9109
120 2JX 0.9108
121 6HO 0.9105
122 3VQ 0.9105
123 FHI 0.9103
124 6JO 0.9102
125 1AJ 0.9097
126 78U 0.9095
127 363 0.9095
128 36Z 0.9092
129 BZQ 0.9089
130 D3G 0.9089
131 BBY 0.9088
132 LI7 0.9087
133 B2T 0.9086
134 NK5 0.9084
135 TRP 0.9081
136 DDC 0.9080
137 NKI 0.9079
138 NNR 0.9077
139 ODK 0.9075
140 9UL 0.9074
141 X2M 0.9071
142 25F 0.9068
143 6C8 0.9067
144 79W 0.9067
145 NIR 0.9067
146 A73 0.9067
147 CK1 0.9066
148 NAL 0.9064
149 BZE 0.9063
150 3F4 0.9062
151 MIL 0.9061
152 TCC 0.9060
153 A7Q 0.9060
154 AMR 0.9059
155 6L6 0.9058
156 FT6 0.9057
157 XDK 0.9055
158 E9S 0.9055
159 RCV 0.9055
160 SZ5 0.9053
161 1V4 0.9052
162 5TO 0.9052
163 1V1 0.9051
164 ELH 0.9043
165 D2G 0.9043
166 4Z9 0.9042
167 FHV 0.9041
168 47V 0.9041
169 KYN 0.9040
170 UN3 0.9038
171 8CC 0.9037
172 DBS 0.9031
173 TJM 0.9030
174 69W 0.9030
175 20D 0.9025
176 60L 0.9022
177 BP7 0.9022
178 108 0.9021
179 1HP 0.9020
180 3IL 0.9015
181 5V7 0.9014
182 YE7 0.9011
183 KLE 0.9010
184 15Q 0.9007
185 G30 0.9007
186 DCZ 0.9005
187 KWV 0.9004
188 BSV 0.9002
189 6J9 0.9002
190 HA6 0.9000
191 1V3 0.8998
192 9RM 0.8997
193 WLH 0.8996
194 EVO 0.8996
195 TCR 0.8994
196 531 0.8992
197 KP2 0.8992
198 IWH 0.8991
199 7ZL 0.8989
200 DFL 0.8988
201 7G2 0.8985
202 6FG 0.8982
203 DTR 0.8980
204 EZN 0.8978
205 P93 0.8977
206 CJZ 0.8976
207 0OL 0.8975
208 0OM 0.8975
209 9BF 0.8975
210 HLP 0.8974
211 U12 0.8973
212 Q2S 0.8970
213 3SU 0.8970
214 5E4 0.8966
215 4EU 0.8965
216 9FH 0.8964
217 JF5 0.8963
218 0FR 0.8962
219 LWS 0.8961
220 D1Y 0.8960
221 LTN 0.8959
222 M3E 0.8957
223 JFS 0.8954
224 ID8 0.8953
225 CDJ 0.8950
226 BPY 0.8950
227 THU 0.8950
228 XTS 0.8947
229 IOP 0.8945
230 NQ7 0.8944
231 IA2 0.8943
232 X48 0.8942
233 22L 0.8937
234 P80 0.8936
235 XYP XDN 0.8936
236 XDN XYP 0.8936
237 2GE 0.8933
238 6J3 0.8933
239 HKK 0.8932
240 KF5 0.8932
241 XIL 0.8932
242 XDL XYP 0.8932
243 GN6 0.8932
244 ISC 0.8931
245 W8L 0.8931
246 MUK 0.8931
247 C53 0.8929
248 Q92 0.8927
249 7R4 0.8926
250 5AD 0.8924
251 6GP 0.8922
252 KLS 0.8919
253 3VW 0.8918
254 9XZ 0.8915
255 PZX 0.8915
256 4F8 0.8913
257 ZRK 0.8913
258 8OB 0.8913
259 F16 0.8911
260 3CX 0.8911
261 B4O 0.8910
262 DBE 0.8910
263 8OE 0.8909
264 A6W 0.8908
265 NIY 0.8907
266 RFZ 0.8906
267 BQ5 0.8905
268 1Q2 0.8903
269 VM7 0.8901
270 ZEZ 0.8900
271 EQW 0.8900
272 NFZ 0.8900
273 LR2 0.8900
274 4CN 0.8899
275 P9I 0.8895
276 URI 0.8893
277 6HX 0.8893
278 KW7 0.8891
279 EYJ 0.8891
280 C0W 0.8888
281 H2W 0.8888
282 0SY 0.8888
283 CUT 0.8887
284 9X3 0.8887
285 6C9 0.8883
286 CUH 0.8883
287 0XR 0.8881
288 6XC 0.8880
289 EAT 0.8880
290 AV7 0.8879
291 3Y7 0.8875
292 AJD 0.8874
293 TLF 0.8872
294 4Z1 0.8871
295 DUR 0.8871
296 6ZW 0.8870
297 AP6 0.8868
298 977 0.8867
299 OX2 0.8867
300 BZC 0.8863
301 NIF 0.8862
302 M5H 0.8861
303 E42 0.8861
304 7M5 0.8860
305 MQR 0.8857
306 4E5 0.8857
307 8D6 0.8854
308 SOJ 0.8854
309 1Q4 0.8854
310 X11 0.8851
311 N2Y 0.8850
312 CC5 0.8848
313 EV2 0.8847
314 E9L 0.8847
315 5S9 0.8846
316 CBE 0.8845
317 Q0K 0.8845
318 AUE 0.8845
319 H70 0.8845
320 Z15 0.8844
321 ITW 0.8844
322 5AE 0.8844
323 D8Q 0.8841
324 5BT 0.8840
325 H35 0.8839
326 5P7 0.8838
327 GNW 0.8837
328 38E 0.8837
329 FER 0.8836
330 1HR 0.8835
331 5VU 0.8835
332 6JM 0.8833
333 1U7 0.8831
334 D25 0.8831
335 S2X 0.8830
336 96Z 0.8830
337 AUG 0.8828
338 LNN 0.8827
339 BXS 0.8827
340 NWD 0.8827
341 1KN 0.8826
342 JF8 0.8826
343 JI2 0.8825
344 XIF XYP 0.8825
345 LJ4 0.8823
346 B21 0.8822
347 14W 0.8820
348 F63 0.8820
349 R20 0.8819
350 0DJ 0.8819
351 50Q 0.8816
352 Q5M 0.8816
353 XYP XYP 0.8815
354 K80 0.8814
355 WDW 0.8812
356 SOV 0.8812
357 2JM 0.8810
358 GJK 0.8809
359 ZEA 0.8806
360 6BK 0.8806
361 XYP XIF 0.8806
362 6FX 0.8805
363 7EH 0.8805
364 NE2 0.8805
365 0DN 0.8804
366 795 0.8803
367 ID2 0.8802
368 5KN 0.8801
369 57D 0.8800
370 PBQ 0.8799
371 AQ1 0.8799
372 H7S 0.8798
373 6C5 0.8798
374 3AK 0.8797
375 LJ3 0.8796
376 92G 0.8796
377 1QP 0.8795
378 MQS 0.8794
379 3WO 0.8794
380 3WN 0.8794
381 PE2 0.8792
382 IQW 0.8791
383 ERZ 0.8790
384 CU8 0.8789
385 MD6 0.8787
386 U13 0.8787
387 SNJ 0.8787
388 DE7 0.8787
389 TR4 0.8785
390 MFR 0.8784
391 LU2 0.8784
392 BNY 0.8780
393 CTN 0.8780
394 VT3 0.8780
395 XYS XYS 0.8776
396 RA7 0.8775
397 5WN 0.8774
398 5H6 0.8772
399 6EN 0.8772
400 ADN 0.8772
401 CC6 0.8771
402 S8G 0.8771
403 0OK 0.8771
404 AJ4 0.8771
405 FLF 0.8770
406 FMQ 0.8769
407 W29 0.8769
408 B86 0.8767
409 4I8 0.8766
410 1V8 0.8765
411 F18 0.8764
412 3WJ 0.8762
413 68B 0.8761
414 4NR 0.8759
415 NYJ 0.8759
416 A4G 0.8759
417 T21 0.8757
418 5I5 0.8756
419 BSA 0.8754
420 RAY 0.8754
421 GXD 0.8753
422 DHC 0.8752
423 LVY 0.8751
424 OUA 0.8751
425 SNB 0.8750
426 GZ2 0.8747
427 37E 0.8746
428 TCL 0.8745
429 7FZ 0.8745
430 6DH 0.8744
431 NE1 0.8743
432 3JC 0.8741
433 QME 0.8739
434 S46 0.8737
435 B23 0.8735
436 A51 0.8735
437 JCZ 0.8735
438 581 0.8733
439 M3W 0.8732
440 3DE 0.8730
441 PCQ 0.8725
442 7M2 0.8725
443 CX5 0.8724
444 EYY 0.8722
445 TVZ 0.8719
446 91F 0.8718
447 AX8 0.8718
448 FB4 0.8718
449 IK1 0.8717
450 KOM 0.8716
451 RSV 0.8715
452 51Y 0.8711
453 0OP 0.8707
454 HJH 0.8706
455 11X 0.8705
456 492 0.8703
457 D9Z 0.8702
458 AZY 0.8698
459 2LX 0.8698
460 BP3 0.8697
461 MXD 0.8696
462 ZRL 0.8695
463 GNG 0.8693
464 GXG 0.8693
465 Q8D 0.8692
466 7O4 0.8689
467 Y3J 0.8687
468 MZM 0.8687
469 AOY 0.8686
470 ZIP 0.8686
471 3AD 0.8684
472 4K2 0.8682
473 YZ9 0.8681
474 GOE 0.8678
475 TT4 0.8677
476 Q8G 0.8676
477 A63 0.8676
478 1A7 0.8676
479 TCW 0.8670
480 BIE 0.8670
481 3D1 0.8669
482 P1J 0.8668
483 6DE 0.8667
484 XZ8 0.8667
485 92O 0.8665
486 78P 0.8665
487 DAH 0.8663
488 N9J 0.8661
489 XYP AHR 0.8660
490 54X 0.8657
491 FTV 0.8656
492 4RG 0.8655
493 CFK 0.8654
494 0MB 0.8654
495 WOE 0.8652
496 43G 0.8652
497 89J 0.8651
498 FF2 0.8650
499 C82 0.8649
500 0ON 0.8648
501 L5V 0.8646
502 FL8 0.8645
503 EZB 0.8643
504 7MW 0.8642
505 M4N 0.8640
506 7VP 0.8631
507 4XF 0.8629
508 NAR 0.8629
509 AYS 0.8628
510 7DE 0.8628
511 YZM 0.8628
512 5ZM 0.8623
513 NOS 0.8620
514 BJ4 0.8619
515 M1Z 0.8610
516 683 0.8609
517 FWD 0.8606
518 XFE 0.8606
519 CWD 0.8606
520 LP8 0.8606
521 DFV 0.8602
522 MT6 0.8601
523 3WL 0.8598
524 CL9 0.8596
525 QTS 0.8593
526 0QA 0.8591
527 IPJ 0.8590
528 JGB 0.8586
529 K6N 0.8584
530 D64 0.8580
531 38B 0.8579
532 G6P 0.8578
533 36M 0.8573
534 2OH 0.8572
535 3L1 0.8570
536 K8W 0.8567
537 1UZ 0.8566
538 NU3 0.8565
539 4UM 0.8564
540 16Z 0.8555
541 GT4 0.8547
542 5CD 0.8546
543 TGW 0.8540
544 M5E 0.8537
545 43F 0.8535
546 HBI 0.8531
547 JE7 0.8530
548 JGY 0.8529
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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