Receptor
PDB id Resolution Class Description Source Keywords
5QAD 1.75 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 8A 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:309;
A:304;
B:305;
C:305;
B:306;
C:307;
D:306;
B:304;
B:308;
D:305;
C:304;
A:307;
D:302;
C:308;
B:303;
C:306;
C:303;
B:307;
D:307;
A:306;
A:303;
A:308;
A:302;
D:303;
A:305;
D:304;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
WVV A:301;
D:301;
B:301;
C:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 170 uM
216.208 C13 H9 F O2 c1ccc...
CL B:302;
C: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: WVV; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 WVV 1 1
2 TI7 0.58 0.714286
3 AUV 0.58 0.64
4 S1D 0.461538 0.9
5 Q4G 0.461538 0.9
6 L5D 0.407407 0.619048
Similar Ligands (3D)
Ligand no: 1; Ligand: WVV; Similar ligands found: 504
No: Ligand Similarity coefficient
1 IQQ 0.9769
2 X6P 0.9755
3 AVA 0.9749
4 KCH 0.9735
5 1ER 0.9718
6 5FL 0.9642
7 EAJ 0.9641
8 FCD 0.9635
9 1SF 0.9634
10 5F8 0.9623
11 0LO 0.9604
12 EQA 0.9598
13 VM1 0.9564
14 YE6 0.9563
15 5F5 0.9556
16 5C1 0.9510
17 VBC 0.9503
18 3GV 0.9501
19 K48 0.9486
20 JSX 0.9485
21 1FL 0.9460
22 LFQ 0.9460
23 LL1 0.9454
24 FC2 0.9436
25 EWG 0.9429
26 49P 0.9420
27 28A 0.9414
28 9CE 0.9409
29 1XS 0.9404
30 B21 0.9403
31 KYN 0.9402
32 XI7 0.9393
33 FHI 0.9393
34 3C5 0.9370
35 B2T 0.9361
36 RVE 0.9359
37 MEX 0.9355
38 KWB 0.9352
39 27M 0.9341
40 H7S 0.9337
41 WCU 0.9336
42 36Z 0.9334
43 TCC 0.9327
44 2D2 0.9322
45 5P3 0.9315
46 0K7 0.9313
47 BP3 0.9311
48 1ZC 0.9311
49 5E5 0.9307
50 ZZA 0.9300
51 GZV 0.9297
52 4AU 0.9295
53 4FF 0.9294
54 5B2 0.9289
55 TIA 0.9287
56 L1T 0.9281
57 2GD 0.9277
58 NIR 0.9270
59 VAO 0.9263
60 DXK 0.9262
61 TRP 0.9253
62 XEV 0.9252
63 BXZ 0.9251
64 7L4 0.9249
65 4G2 0.9248
66 D3G 0.9239
67 ODK 0.9237
68 X11 0.9232
69 R9G 0.9232
70 9UL 0.9230
71 QKU 0.9230
72 P4L 0.9228
73 X29 0.9227
74 6HO 0.9225
75 A7Q 0.9221
76 BBY 0.9220
77 4E5 0.9215
78 G14 0.9213
79 PZ8 0.9206
80 MIL 0.9188
81 4GU 0.9187
82 2QU 0.9183
83 0OL 0.9180
84 CK2 0.9178
85 D2G 0.9177
86 U4J 0.9171
87 6J9 0.9170
88 XDK 0.9170
89 B4O 0.9167
90 5AD 0.9163
91 C4E 0.9160
92 JMG 0.9157
93 DTR 0.9156
94 TJM 0.9156
95 CK1 0.9156
96 SOV 0.9155
97 3CA 0.9154
98 79W 0.9153
99 LWS 0.9147
100 22F 0.9138
101 28B 0.9137
102 PIQ 0.9134
103 EYJ 0.9134
104 KLE 0.9130
105 KW7 0.9129
106 0DF 0.9128
107 CUT 0.9121
108 AED 0.9120
109 C0W 0.9118
110 F40 0.9116
111 7ZL 0.9116
112 3GX 0.9114
113 GN6 0.9113
114 6MW 0.9110
115 M02 0.9106
116 C0H 0.9105
117 6HX 0.9103
118 D1G 0.9102
119 JFS 0.9099
120 URI 0.9094
121 22L 0.9093
122 LTN 0.9092
123 4EU 0.9091
124 3VW 0.9087
125 WOE 0.9080
126 5NN 0.9074
127 M3E 0.9069
128 AOJ 0.9064
129 UN3 0.9064
130 1A7 0.9064
131 9FH 0.9060
132 2P3 0.9055
133 FNA 0.9052
134 C53 0.9052
135 KP2 0.9052
136 NIY 0.9051
137 3IL 0.9049
138 7VF 0.9049
139 X48 0.9038
140 1HP 0.9034
141 FCW 0.9032
142 0OY 0.9031
143 92G 0.9030
144 6NZ 0.9030
145 BPY 0.9028
146 LR2 0.9023
147 CUQ 0.9022
148 SOJ 0.9021
149 BP7 0.9019
150 A4G 0.9019
151 B23 0.9017
152 SQV 0.9012
153 A7K 0.9012
154 OA1 0.9010
155 P2L 0.9004
156 DDC 0.9003
157 GXD 0.9001
158 ID8 0.9001
159 8D6 0.9000
160 Q2R 0.8997
161 KF5 0.8994
162 TIZ 0.8993
163 THM 0.8989
164 38B 0.8986
165 9JT 0.8980
166 LVY 0.8979
167 TLF 0.8978
168 EZN 0.8975
169 TQL 0.8973
170 Q2S 0.8972
171 6J3 0.8972
172 36M 0.8968
173 DBE 0.8968
174 5AE 0.8967
175 BZQ 0.8966
176 MQS 0.8966
177 EQW 0.8965
178 G30 0.8965
179 RKV 0.8962
180 S2T 0.8959
181 ELH 0.8958
182 5TO 0.8957
183 AVX 0.8955
184 DBS 0.8954
185 5V7 0.8951
186 RK4 0.8951
187 VJJ 0.8950
188 DKZ 0.8948
189 4NR 0.8948
190 U7E 0.8947
191 CUH 0.8946
192 CJB 0.8945
193 TCL 0.8943
194 L13 0.8942
195 TOH 0.8940
196 0NX 0.8940
197 EV2 0.8939
198 XYP XDN 0.8937
199 Q0K 0.8937
200 536 0.8936
201 ZYW 0.8936
202 BP6 0.8935
203 9FG 0.8933
204 XDN XYP 0.8932
205 K80 0.8932
206 96Z 0.8931
207 CC5 0.8931
208 BQ5 0.8930
209 F16 0.8927
210 AMR 0.8926
211 6DQ 0.8926
212 2JX 0.8925
213 XDL XYP 0.8923
214 DKX 0.8922
215 0QV 0.8921
216 S46 0.8919
217 BZE 0.8916
218 78U 0.8916
219 3AD 0.8916
220 LJ3 0.8914
221 2LW 0.8912
222 3Y7 0.8912
223 AV4 0.8911
224 4FP 0.8911
225 SV4 0.8911
226 GXG 0.8908
227 FT6 0.8908
228 HA6 0.8908
229 3RP 0.8907
230 AZY 0.8906
231 5TZ 0.8904
232 89J 0.8900
233 2GE 0.8896
234 W29 0.8895
235 ERZ 0.8894
236 6DE 0.8893
237 SSY 0.8892
238 6QT 0.8891
239 2QV 0.8890
240 5H6 0.8890
241 DIF 0.8888
242 ZME 0.8885
243 XIF XYP 0.8884
244 XYP XIF 0.8884
245 6C5 0.8884
246 TT4 0.8882
247 TB8 0.8882
248 7M5 0.8879
249 LJ4 0.8879
250 2JM 0.8878
251 H35 0.8878
252 977 0.8878
253 8CC 0.8877
254 NNR 0.8876
255 EYY 0.8873
256 ISC 0.8873
257 DFL 0.8871
258 WDW 0.8871
259 H48 0.8871
260 XZ8 0.8869
261 4GP 0.8868
262 ADN 0.8867
263 IQW 0.8863
264 AZC 0.8863
265 Z16 0.8862
266 GNW 0.8862
267 U2Z 0.8860
268 6PB 0.8860
269 M01 0.8860
270 FTV 0.8860
271 N2Y 0.8857
272 FMQ 0.8856
273 4Z9 0.8855
274 8OB 0.8854
275 CU8 0.8853
276 78Y 0.8853
277 8OE 0.8851
278 5I5 0.8849
279 DK4 0.8848
280 CTN 0.8848
281 CBE 0.8847
282 7M2 0.8845
283 LEL 0.8842
284 NWD 0.8840
285 GT4 0.8840
286 QME 0.8839
287 AKD 0.8834
288 F63 0.8834
289 3CX 0.8833
290 3TC 0.8833
291 46P 0.8833
292 6JO 0.8831
293 PYU 0.8830
294 9XZ 0.8828
295 GPK 0.8827
296 3AK 0.8823
297 FC3 0.8821
298 1KN 0.8821
299 7O4 0.8815
300 FPL 0.8815
301 1VK 0.8815
302 HX8 0.8814
303 H70 0.8811
304 EAT 0.8810
305 CJZ 0.8809
306 AWE 0.8803
307 AJD 0.8800
308 3WJ 0.8800
309 B41 0.8798
310 DUR 0.8797
311 GPQ 0.8795
312 TR4 0.8795
313 7R4 0.8793
314 XYP XYP 0.8793
315 Z15 0.8792
316 HQJ 0.8791
317 0RY 0.8791
318 IOP 0.8790
319 5E4 0.8787
320 7EH 0.8785
321 6ZX 0.8784
322 25O 0.8784
323 MJ5 0.8783
324 NFZ 0.8783
325 DCZ 0.8781
326 15Q 0.8779
327 F01 0.8779
328 8UY 0.8776
329 ZMG 0.8774
330 50C 0.8773
331 EF2 0.8773
332 THU 0.8772
333 FLF 0.8771
334 51Y 0.8770
335 LAH 0.8768
336 PBQ 0.8767
337 PFT 0.8766
338 6TZ 0.8765
339 GZ2 0.8765
340 363 0.8763
341 H75 0.8761
342 AJ4 0.8761
343 KOM 0.8758
344 NTF 0.8757
345 DCN 0.8756
346 RFZ 0.8755
347 0QA 0.8754
348 0OK 0.8754
349 9BF 0.8749
350 RSV 0.8749
351 848 0.8749
352 BGC OXZ 0.8746
353 17C 0.8745
354 2OH 0.8742
355 5BT 0.8741
356 PZX 0.8736
357 0DN 0.8734
358 C82 0.8733
359 3D1 0.8733
360 5KN 0.8729
361 NAL 0.8728
362 TZM 0.8727
363 2KU 0.8727
364 42R 0.8726
365 CH8 0.8723
366 0GA 0.8718
367 Y70 0.8718
368 BNL 0.8718
369 3DE 0.8717
370 C0Y 0.8717
371 N9J 0.8714
372 MUK 0.8713
373 CC6 0.8710
374 2GQ 0.8708
375 37E 0.8706
376 90G 0.8705
377 4F8 0.8704
378 A6H 0.8704
379 A5H 0.8701
380 TVC 0.8698
381 H4B 0.8695
382 H4E 0.8694
383 9PL 0.8694
384 5FD 0.8693
385 XYS XYP 0.8691
386 ITW 0.8690
387 DAH 0.8689
388 YZM 0.8689
389 AP6 0.8687
390 5O6 0.8687
391 OCZ 0.8687
392 B4L 0.8687
393 11X 0.8686
394 Q5M 0.8685
395 H2B 0.8684
396 B86 0.8683
397 MMJ 0.8680
398 PCQ 0.8679
399 URD 0.8678
400 MCY 0.8676
401 DDU 0.8675
402 RPN 0.8675
403 Q8G 0.8674
404 TVZ 0.8674
405 NE1 0.8673
406 I5A 0.8673
407 68B 0.8672
408 FB4 0.8672
409 9MR 0.8671
410 5CD 0.8671
411 47V 0.8669
412 LP8 0.8667
413 CSN 0.8665
414 MMS 0.8664
415 5ZM 0.8662
416 AUE 0.8661
417 Y3J 0.8658
418 BIE 0.8658
419 PRH 0.8656
420 JRB 0.8652
421 NE2 0.8650
422 2TU 0.8650
423 IFM BGC 0.8649
424 3JC 0.8647
425 CHQ 0.8646
426 57D 0.8646
427 ZEA 0.8645
428 S7G 0.8645
429 1Q4 0.8645
430 30G 0.8643
431 ID2 0.8638
432 LTT 0.8637
433 PUR 0.8635
434 NAR 0.8633
435 Q11 0.8631
436 TBN 0.8630
437 JCZ 0.8627
438 FMC 0.8627
439 IMH 0.8626
440 B1J 0.8625
441 VM7 0.8623
442 2LT 0.8621
443 2LX 0.8621
444 774 0.8620
445 KMY 0.8620
446 NOS 0.8615
447 DFV 0.8614
448 AJ1 0.8613
449 MNP 0.8613
450 9DI 0.8612
451 4L2 0.8612
452 AUG 0.8611
453 MUR 0.8611
454 6JM 0.8610
455 HNL 0.8609
456 MZR 0.8609
457 HSA 0.8609
458 DNB 0.8609
459 AD3 0.8607
460 OSB 0.8606
461 PAU 0.8605
462 657 0.8605
463 WL3 0.8605
464 7I2 0.8604
465 MER 0.8604
466 S0F 0.8604
467 K3Y 0.8604
468 CQW 0.8603
469 1DA 0.8601
470 7XX 0.8596
471 DE3 0.8596
472 3SU 0.8596
473 3L1 0.8595
474 IOS 0.8593
475 EFX 0.8590
476 T2D 0.8589
477 SNJ 0.8589
478 SNB 0.8589
479 FWD 0.8589
480 9F5 0.8588
481 GEO 0.8586
482 5N5 0.8584
483 IQ5 0.8582
484 FMB 0.8581
485 0XR 0.8580
486 N3W 0.8579
487 Q92 0.8573
488 EYV 0.8573
489 92O 0.8569
490 RVB 0.8567
491 1FE 0.8563
492 HPR 0.8562
493 4LV 0.8561
494 7FZ 0.8560
495 D64 0.8557
496 16Z 0.8557
497 MW5 0.8548
498 4K2 0.8546
499 RVD 0.8545
500 VCE 0.8544
501 CWD 0.8543
502 XRS 0.8534
503 FM2 0.8531
504 4V2 0.8530
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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