Receptor
PDB id Resolution Class Description Source Keywords
5QB0 1.95 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 35 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
AVA B:301;
A:301;
D:302;
D:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 159 uM
199.205 C12 H9 N O2 c1ccn...
EDO B:304;
B:303;
A:302;
C:302;
D:303;
C:303;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
CL B:302;
C: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: AVA; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 AVA 1 1
2 PQS 0.553191 1
3 5FL 0.48 0.947368
4 5F5 0.471698 0.62963
5 5F8 0.442308 0.947368
6 6P3 0.431373 0.95
7 Q92 0.42623 0.904762
8 7L9 0.423729 0.703704
9 L5D 0.423077 0.65
10 TVC 0.403509 0.619048
Similar Ligands (3D)
Ligand no: 1; Ligand: AVA; Similar ligands found: 694
No: Ligand Similarity coefficient
1 SGW 1.0000
2 EWG 0.9897
3 VM1 0.9859
4 IQQ 0.9805
5 Q4G 0.9795
6 LL1 0.9778
7 X6P 0.9771
8 S1D 0.9767
9 WVV 0.9749
10 JSX 0.9745
11 TI7 0.9732
12 VBC 0.9699
13 AUV 0.9694
14 0LO 0.9689
15 6MW 0.9656
16 4FF 0.9652
17 XI7 0.9621
18 TCR 0.9614
19 LFQ 0.9597
20 RKV 0.9588
21 5TZ 0.9588
22 KWB 0.9583
23 U7E 0.9580
24 K48 0.9571
25 LEL 0.9568
26 60L 0.9566
27 G14 0.9539
28 1ER 0.9538
29 ZZA 0.9530
30 49P 0.9529
31 0K7 0.9522
32 RVE 0.9509
33 PUE 0.9482
34 II4 0.9477
35 F40 0.9476
36 DXK 0.9474
37 6NZ 0.9466
38 9UL 0.9463
39 D3G 0.9462
40 D2G 0.9439
41 5B2 0.9435
42 YE6 0.9432
43 2D2 0.9431
44 JCZ 0.9424
45 3C5 0.9408
46 TRP 0.9408
47 4AU 0.9404
48 XDK 0.9403
49 2GQ 0.9403
50 M5H 0.9400
51 1SF 0.9399
52 EAJ 0.9398
53 D1G 0.9395
54 V2Z 0.9383
55 CUT 0.9380
56 795 0.9376
57 AED 0.9374
58 363 0.9346
59 6C8 0.9343
60 9CE 0.9335
61 5E5 0.9333
62 3D8 0.9329
63 0OL 0.9325
64 FT6 0.9320
65 L1T 0.9319
66 6FG 0.9319
67 VJJ 0.9318
68 3EB 0.9318
69 NIR 0.9313
70 4Z9 0.9311
71 MIL 0.9308
72 X6W 0.9306
73 FPL 0.9305
74 BZE 0.9299
75 3VQ 0.9299
76 XEV 0.9298
77 7O4 0.9296
78 LTN 0.9290
79 UN3 0.9280
80 0UL 0.9271
81 3IL 0.9271
82 28A 0.9271
83 A9B 0.9270
84 4G2 0.9269
85 U4J 0.9265
86 DTR 0.9264
87 5P3 0.9261
88 B2T 0.9250
89 NIY 0.9249
90 6J9 0.9244
91 1V3 0.9243
92 NKI 0.9240
93 R20 0.9234
94 FCW 0.9234
95 ODK 0.9231
96 TIA 0.9228
97 GNV 0.9228
98 AMR 0.9227
99 A73 0.9227
100 A6W 0.9227
101 QKU 0.9226
102 RGK 0.9226
103 B4O 0.9220
104 7L4 0.9217
105 JMG 0.9216
106 1XS 0.9214
107 2UZ 0.9212
108 22L 0.9211
109 BZQ 0.9210
110 C53 0.9208
111 BPY 0.9207
112 FCD 0.9207
113 WLH 0.9205
114 2P3 0.9202
115 IOP 0.9201
116 9FH 0.9198
117 H7S 0.9189
118 5NN 0.9187
119 CUQ 0.9186
120 YE7 0.9186
121 IDZ 0.9184
122 2GD 0.9184
123 9BF 0.9184
124 1V1 0.9183
125 7R4 0.9181
126 P4L 0.9181
127 P93 0.9181
128 3VW 0.9178
129 6DQ 0.9178
130 BP7 0.9177
131 ZME 0.9176
132 5V7 0.9176
133 96Z 0.9175
134 0NX 0.9173
135 HH6 0.9172
136 6HO 0.9172
137 HQJ 0.9170
138 ZIQ 0.9169
139 EV2 0.9168
140 KYN 0.9165
141 X48 0.9163
142 2QU 0.9162
143 NK5 0.9161
144 C0W 0.9160
145 L5V 0.9157
146 1FL 0.9155
147 2JX 0.9154
148 78U 0.9153
149 5TO 0.9153
150 5C1 0.9149
151 3CA 0.9148
152 1VK 0.9146
153 4EU 0.9144
154 9JT 0.9143
155 DFL 0.9141
156 KF5 0.9139
157 20D 0.9139
158 0DF 0.9138
159 6HX 0.9138
160 92G 0.9137
161 0OY 0.9134
162 833 0.9133
163 KP2 0.9133
164 C4E 0.9132
165 PQT 0.9127
166 CUH 0.9127
167 NAL 0.9124
168 0SY 0.9124
169 M3E 0.9123
170 27M 0.9123
171 36Z 0.9121
172 EQA 0.9121
173 KCH 0.9121
174 NFZ 0.9120
175 1AJ 0.9119
176 0OM 0.9118
177 JWS 0.9114
178 FHI 0.9114
179 47V 0.9113
180 272 0.9110
181 X2M 0.9109
182 22F 0.9108
183 JFS 0.9108
184 PZ8 0.9108
185 Q0K 0.9106
186 SQV 0.9106
187 6C4 0.9102
188 CH9 0.9099
189 3CX 0.9097
190 ZYV 0.9095
191 TCC 0.9094
192 WCU 0.9092
193 FMQ 0.9088
194 BP3 0.9088
195 SSY 0.9087
196 0F9 0.9087
197 1U7 0.9087
198 977 0.9086
199 4GU 0.9085
200 7ZL 0.9084
201 A7Q 0.9078
202 OX2 0.9077
203 25F 0.9077
204 6C5 0.9073
205 FER 0.9070
206 AVX 0.9070
207 FNA 0.9070
208 MEX 0.9068
209 M4N 0.9067
210 B21 0.9065
211 6TZ 0.9065
212 JF5 0.9062
213 14W 0.9059
214 3GX 0.9058
215 4I8 0.9057
216 THU 0.9056
217 W8L 0.9055
218 DI9 0.9055
219 D1Y 0.9055
220 CC5 0.9053
221 H48 0.9052
222 BQ5 0.9051
223 MD6 0.9050
224 ZRK 0.9049
225 RK4 0.9049
226 7VF 0.9048
227 AY4 0.9046
228 BVS 0.9043
229 CTN 0.9042
230 SOV 0.9040
231 MZM 0.9036
232 TT4 0.9034
233 JTA 0.9034
234 848 0.9030
235 S46 0.9029
236 RA7 0.9025
237 GZ2 0.9025
238 K80 0.9023
239 KLE 0.9021
240 R9G 0.9020
241 HJH 0.9019
242 3TC 0.9017
243 8OB 0.9017
244 1ZC 0.9015
245 CDJ 0.9013
246 OCZ 0.9011
247 TZM 0.9010
248 QME 0.9007
249 ONR 0.9006
250 36M 0.9003
251 H2W 0.9002
252 HX8 0.9001
253 8CC 0.8999
254 1HP 0.8998
255 VXX 0.8997
256 MXD 0.8996
257 1V4 0.8996
258 TOH 0.8995
259 5AD 0.8995
260 EQW 0.8994
261 OA1 0.8994
262 CSN 0.8993
263 X11 0.8992
264 M1Z 0.8989
265 HLP 0.8987
266 UKV 0.8985
267 P9I 0.8985
268 8D6 0.8984
269 TMG 0.8983
270 4ZF 0.8982
271 3Y7 0.8981
272 0OK 0.8980
273 CK2 0.8979
274 XCG 0.8978
275 EVO 0.8975
276 M78 0.8974
277 3SU 0.8973
278 RCV 0.8972
279 4NR 0.8971
280 492 0.8971
281 IOS 0.8971
282 SOJ 0.8970
283 0FR 0.8968
284 7M5 0.8966
285 DBE 0.8965
286 DHC 0.8964
287 96R 0.8963
288 0QA 0.8963
289 XIF XYP 0.8961
290 C0H 0.8960
291 3F4 0.8960
292 CU8 0.8959
293 SZ5 0.8959
294 Q2S 0.8956
295 IQW 0.8955
296 0JD 0.8955
297 4F8 0.8954
298 2J3 0.8952
299 8OE 0.8952
300 79W 0.8952
301 LI7 0.8950
302 OKM 0.8949
303 LJ4 0.8945
304 EYJ 0.8945
305 3RP 0.8944
306 DCN 0.8943
307 LZ5 0.8943
308 M3W 0.8942
309 4FP 0.8942
310 U14 0.8941
311 Q5M 0.8941
312 536 0.8941
313 W29 0.8940
314 1HR 0.8939
315 LVY 0.8938
316 AZY 0.8938
317 4Z1 0.8936
318 27K 0.8934
319 54X 0.8933
320 THM 0.8933
321 92O 0.8932
322 TQL 0.8932
323 3AK 0.8929
324 54E 0.8928
325 CK1 0.8923
326 BXZ 0.8922
327 TPM 0.8922
328 92P 0.8921
329 N2Y 0.8920
330 FTV 0.8920
331 5WN 0.8919
332 BSA 0.8919
333 DDC 0.8919
334 BBY 0.8917
335 7I2 0.8917
336 DX2 0.8915
337 QMS 0.8915
338 YZM 0.8915
339 B41 0.8914
340 F63 0.8914
341 AZM 0.8914
342 NIF 0.8913
343 N1E 0.8912
344 GXG 0.8911
345 M5E 0.8911
346 LWS 0.8910
347 IQ5 0.8910
348 5GT 0.8909
349 39Z 0.8908
350 HSA 0.8907
351 GN6 0.8906
352 LIG 0.8904
353 YTX 0.8904
354 ENO 0.8903
355 1A7 0.8903
356 6C9 0.8903
357 CR1 0.8903
358 T2D 0.8903
359 DBS 0.8900
360 11X 0.8900
361 92Y 0.8898
362 657 0.8898
363 7MW 0.8895
364 VT3 0.8894
365 5H6 0.8893
366 XYP XIF 0.8890
367 M6Z 0.8890
368 HA6 0.8889
369 MPV 0.8889
370 MS0 0.8888
371 KWV 0.8887
372 F18 0.8887
373 ERZ 0.8887
374 MNP 0.8887
375 LJ3 0.8886
376 2PV 0.8885
377 YIE 0.8885
378 U13 0.8881
379 M83 0.8881
380 LRW 0.8880
381 6XC 0.8879
382 MZR 0.8878
383 3QO 0.8878
384 FC2 0.8876
385 NYJ 0.8876
386 HA5 0.8876
387 P80 0.8875
388 9XZ 0.8874
389 HKK 0.8874
390 ISC 0.8873
391 AKD 0.8868
392 AJD 0.8868
393 DFV 0.8867
394 89J 0.8866
395 50C 0.8864
396 1Q4 0.8863
397 2HC 0.8862
398 28B 0.8860
399 TIZ 0.8860
400 AVO 0.8859
401 1X8 0.8859
402 0FS 0.8857
403 URI 0.8856
404 S0G 0.8856
405 42R 0.8855
406 DJL 0.8854
407 NLQ 0.8853
408 TR4 0.8850
409 JR2 0.8849
410 M4E 0.8849
411 DAH 0.8848
412 3AD 0.8846
413 C82 0.8845
414 QUS 0.8843
415 PZX 0.8842
416 2PK 0.8842
417 N7I 0.8842
418 549 0.8842
419 GJK 0.8841
420 XFE 0.8841
421 TCL 0.8840
422 531 0.8839
423 5E4 0.8836
424 KW7 0.8836
425 XYP XDN 0.8835
426 ADN 0.8835
427 3DE 0.8835
428 BZM 0.8833
429 NWD 0.8832
430 9F8 0.8831
431 46P 0.8831
432 68B 0.8831
433 54F 0.8829
434 S0D 0.8829
435 E9L 0.8828
436 RQD 0.8827
437 3WJ 0.8827
438 N3W 0.8827
439 H35 0.8827
440 B5A 0.8825
441 ZEZ 0.8825
442 9F5 0.8824
443 S0F 0.8824
444 8NX 0.8822
445 ASE 0.8821
446 MUR 0.8821
447 ALA GLN 0.8821
448 25O 0.8820
449 NAG 0.8818
450 GNR 0.8817
451 HJ7 0.8816
452 X29 0.8815
453 I2E 0.8812
454 XDN XYP 0.8812
455 Q8D 0.8812
456 EN1 0.8811
457 5VL 0.8810
458 FB4 0.8810
459 2LX 0.8809
460 XDL XYP 0.8809
461 2GE 0.8809
462 ALE 0.8807
463 B4L 0.8807
464 HBI 0.8807
465 BY5 0.8807
466 6QT 0.8806
467 AV4 0.8804
468 7VP 0.8803
469 ELH 0.8801
470 GF4 0.8800
471 XRS 0.8799
472 37E 0.8798
473 KOM 0.8798
474 Y3J 0.8797
475 NTF 0.8793
476 G6P 0.8793
477 9PL 0.8791
478 MMS 0.8790
479 2OH 0.8789
480 CBE 0.8788
481 5LD 0.8787
482 57D 0.8785
483 9RM 0.8784
484 PDC 0.8783
485 15Q 0.8779
486 DCZ 0.8776
487 P2L 0.8776
488 NDG 0.8773
489 51Y 0.8773
490 HX4 0.8773
491 NOS 0.8773
492 6PB 0.8772
493 XIL 0.8772
494 0DN 0.8770
495 A29 0.8770
496 CHQ 0.8769
497 6ZX 0.8768
498 DUR 0.8767
499 8UY 0.8766
500 5I5 0.8766
501 N9J 0.8766
502 2F6 0.8762
503 7MX 0.8762
504 6DE 0.8761
505 5VU 0.8759
506 JPQ 0.8758
507 KPV 0.8758
508 1QP 0.8758
509 8YH 0.8758
510 SKF 0.8757
511 3JC 0.8757
512 4K2 0.8757
513 C2Y 0.8755
514 FWD 0.8753
515 EZN 0.8753
516 3D1 0.8753
517 U2Z 0.8749
518 ET0 0.8749
519 EYY 0.8749
520 OJD 0.8745
521 VAO 0.8744
522 RFZ 0.8744
523 9FG 0.8742
524 S3P 0.8740
525 LP8 0.8740
526 1L5 0.8738
527 2LT 0.8737
528 Q8G 0.8736
529 IK1 0.8735
530 7M2 0.8733
531 0QW 0.8733
532 J38 0.8733
533 6J3 0.8731
534 4L2 0.8731
535 WDW 0.8730
536 S62 0.8730
537 78P 0.8729
538 TJM 0.8727
539 67Y 0.8727
540 5KN 0.8726
541 FHV 0.8725
542 ID8 0.8725
543 4XF 0.8724
544 S2T 0.8723
545 PW1 0.8721
546 OW7 0.8720
547 6ZW 0.8719
548 JF8 0.8717
549 U12 0.8717
550 ZMG 0.8717
551 TVZ 0.8716
552 8HH 0.8715
553 2O6 0.8711
554 FF2 0.8711
555 A6H 0.8711
556 AOY 0.8708
557 NAR 0.8705
558 F6P 0.8704
559 XZ8 0.8703
560 SAF 0.8703
561 CWD 0.8703
562 F1X 0.8701
563 JO5 0.8701
564 GB4 0.8701
565 8RK 0.8700
566 WOE 0.8699
567 1KN 0.8699
568 TU0 0.8699
569 ZIP 0.8698
570 HL6 0.8698
571 D25 0.8697
572 BP6 0.8696
573 0ON 0.8695
574 D9Z 0.8694
575 JHY 0.8693
576 RD4 0.8691
577 91F 0.8690
578 4E5 0.8688
579 6DP 0.8687
580 H75 0.8686
581 A8K 0.8686
582 DE7 0.8686
583 ATX 0.8684
584 B86 0.8684
585 5AE 0.8683
586 AJ4 0.8682
587 CX4 0.8682
588 3C3 0.8679
589 S7G 0.8678
590 5DL 0.8678
591 B23 0.8677
592 AD3 0.8677
593 IA2 0.8677
594 3WN 0.8675
595 3WO 0.8675
596 RPN 0.8674
597 TYR 0.8674
598 SRO 0.8673
599 A7K 0.8671
600 GT4 0.8671
601 61M 0.8670
602 F16 0.8670
603 B2Y 0.8670
604 IYR 0.8669
605 EAT 0.8669
606 GXD 0.8667
607 AP6 0.8665
608 FHC 0.8664
609 QZ8 0.8664
610 2B4 0.8663
611 TLF 0.8661
612 WL3 0.8660
613 EF2 0.8659
614 XYP XYP 0.8658
615 SNB 0.8655
616 5OF 0.8654
617 H2B 0.8653
618 69W 0.8652
619 0MB 0.8650
620 7G1 0.8649
621 S3C 0.8649
622 CFA 0.8647
623 TB8 0.8646
624 08C 0.8646
625 6HP 0.8644
626 9ZE 0.8644
627 6KN 0.8644
628 4CN 0.8642
629 JRB 0.8641
630 DKX 0.8641
631 ARJ 0.8637
632 2KU 0.8636
633 P1J 0.8636
634 DIF 0.8635
635 MQB 0.8635
636 KDG 0.8635
637 LR8 0.8633
638 L3L 0.8632
639 5RP 0.8631
640 Y70 0.8630
641 CE2 0.8629
642 4WF 0.8628
643 EV3 0.8625
644 D64 0.8623
645 5F1 0.8618
646 NQ7 0.8618
647 CJB 0.8618
648 3QI 0.8617
649 TGW 0.8617
650 BG6 0.8616
651 AUE 0.8615
652 NOC 0.8614
653 2TU 0.8610
654 0GA 0.8608
655 PYU 0.8605
656 52F 0.8605
657 LVD 0.8603
658 38E 0.8602
659 HRX 0.8598
660 BC3 0.8597
661 NPA 0.8596
662 DI6 0.8592
663 H70 0.8592
664 MQS 0.8588
665 2JM 0.8587
666 A9K 0.8586
667 3L1 0.8585
668 6WS 0.8583
669 GGB 0.8582
670 0D1 0.8579
671 5CD 0.8579
672 4R1 0.8578
673 DG2 0.8576
674 6JO 0.8576
675 C93 0.8575
676 AX8 0.8572
677 BSU 0.8569
678 55D 0.8568
679 4AB 0.8566
680 PHE ALA 0.8565
681 CIY 0.8562
682 KMP 0.8560
683 PBQ 0.8556
684 S7D 0.8553
685 7OD 0.8553
686 3WK 0.8552
687 HNH 0.8552
688 TXW 0.8551
689 1Z8 0.8535
690 OSB 0.8530
691 HNL 0.8522
692 OA4 0.8519
693 069 0.8517
694 I5A 0.8508
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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