Receptor
PDB id Resolution Class Description Source Keywords
5QAB 2.15 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 6B 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 B:302;
C:301;
B:303;
D:303;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
XEV A:301;
D:301;
B:301;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 226 uM
228.243 C14 H12 O3 COc1c...
CL D:302;
 Invalid;
 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: XEV; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 XEV 1 1
2 U4J 0.645833 1
3 EFX 0.591837 0.73913
4 OVM 0.577778 0.857143
5 IQQ 0.5625 0.818182
6 L5D 0.55102 0.666667
7 JSX 0.490196 0.818182
8 TVC 0.464286 0.636364
9 EAJ 0.448276 0.913043
10 TI7 0.436364 0.608696
11 OW7 0.415094 0.68
12 Q2R 0.409836 0.68
Similar Ligands (3D)
Ligand no: 1; Ligand: XEV; Similar ligands found: 406
No: Ligand Similarity coefficient
1 QKU 0.9856
2 AV4 0.9753
3 Q4G 0.9748
4 VM7 0.9543
5 VAO 0.9538
6 M83 0.9536
7 KCH 0.9532
8 0RY 0.9513
9 AV7 0.9476
10 28A 0.9461
11 FC2 0.9396
12 5F8 0.9393
13 49P 0.9340
14 JCQ 0.9340
15 5FL 0.9322
16 TIA 0.9320
17 4GU 0.9312
18 4G2 0.9302
19 AVA 0.9298
20 1XS 0.9284
21 S2X 0.9255
22 AUV 0.9254
23 WVV 0.9252
24 Q92 0.9251
25 2QV 0.9245
26 5ER 0.9238
27 S1D 0.9237
28 28B 0.9222
29 NNR 0.9220
30 2QU 0.9207
31 RFZ 0.9199
32 581 0.9194
33 5B2 0.9193
34 1ZC 0.9180
35 NKI 0.9180
36 0FS 0.9180
37 VJJ 0.9171
38 6JO 0.9170
39 JWS 0.9162
40 LI7 0.9161
41 6QT 0.9155
42 9CE 0.9148
43 2GD 0.9147
44 1ER 0.9138
45 HDU 0.9135
46 IDZ 0.9133
47 833 0.9133
48 3F4 0.9124
49 5VU 0.9119
50 1SF 0.9119
51 BBY 0.9114
52 BXZ 0.9109
53 SZ5 0.9109
54 1V8 0.9106
55 BXS 0.9104
56 BSV 0.9103
57 LVB 0.9101
58 F40 0.9098
59 5P3 0.9095
60 VBC 0.9083
61 1FL 0.9082
62 0DJ 0.9080
63 E9S 0.9079
64 L2K 0.9078
65 T7O 0.9072
66 5E5 0.9065
67 3CA 0.9061
68 GZV 0.9060
69 7VF 0.9056
70 UKV 0.9051
71 ARJ 0.9051
72 0K7 0.9050
73 5F5 0.9048
74 WDW 0.9046
75 1Q1 0.9046
76 TJM 0.9045
77 2D2 0.9044
78 VM1 0.9043
79 6DQ 0.9043
80 II4 0.9041
81 U14 0.9041
82 69W 0.9040
83 6EN 0.9040
84 T21 0.9036
85 YE6 0.9033
86 5FD 0.9033
87 ZYW 0.9030
88 EZN 0.9027
89 AVX 0.9021
90 3D8 0.9019
91 108 0.9019
92 BMC 0.9019
93 4ZF 0.9018
94 OCZ 0.9015
95 EQA 0.9014
96 338 0.9012
97 HH6 0.9011
98 X6P 0.9011
99 H7S 0.9010
100 G14 0.9010
101 4FF 0.9008
102 NQ7 0.9004
103 P4L 0.9001
104 CU8 0.8999
105 LL1 0.8999
106 97K 0.8998
107 C4E 0.8998
108 XI7 0.8997
109 A9B 0.8995
110 5BX 0.8994
111 FCD 0.8992
112 PIQ 0.8991
113 4AU 0.8989
114 LFQ 0.8989
115 7L4 0.8986
116 X2M 0.8984
117 25F 0.8981
118 DXK 0.8978
119 2JX 0.8976
120 6FX 0.8974
121 91F 0.8972
122 ELH 0.8972
123 BZC 0.8964
124 CK1 0.8962
125 RVE 0.8962
126 272 0.8961
127 XYP XYP 0.8961
128 RGK 0.8959
129 6XC 0.8958
130 2GE 0.8957
131 A73 0.8957
132 5V7 0.8956
133 G30 0.8953
134 3GX 0.8952
135 0DF 0.8951
136 EMU 0.8945
137 MQR 0.8944
138 5C1 0.8942
139 7G2 0.8942
140 OA1 0.8941
141 797 0.8937
142 5NN 0.8935
143 0UL 0.8934
144 FHV 0.8933
145 FHI 0.8932
146 ZME 0.8929
147 6PB 0.8929
148 1V1 0.8929
149 KYN 0.8927
150 DFL 0.8926
151 MT6 0.8924
152 20D 0.8924
153 1V4 0.8922
154 DDC 0.8921
155 ADN 0.8918
156 0XR 0.8918
157 K48 0.8916
158 XIF XYP 0.8915
159 XYP XIF 0.8915
160 PZX 0.8911
161 A63 0.8911
162 ID8 0.8910
163 U12 0.8908
164 1AJ 0.8907
165 53X 0.8907
166 SSY 0.8905
167 CUQ 0.8905
168 WG8 0.8904
169 3QI 0.8904
170 MQS 0.8902
171 5CD 0.8901
172 9F5 0.8900
173 RKV 0.8899
174 XYS XYS 0.8895
175 3RP 0.8893
176 3C5 0.8890
177 MTA 0.8889
178 6J3 0.8888
179 L1T 0.8887
180 1V3 0.8886
181 JCZ 0.8886
182 ZZA 0.8886
183 BVS 0.8885
184 BNY 0.8884
185 C0V 0.8880
186 2P3 0.8879
187 TVZ 0.8879
188 D1Y 0.8879
189 8CC 0.8878
190 BRY 0.8876
191 NIR 0.8876
192 GLA BEZ 0.8873
193 531 0.8870
194 6MW 0.8869
195 VT3 0.8867
196 CK2 0.8861
197 TGW 0.8852
198 0LO 0.8849
199 GAA 0.8849
200 TLF 0.8847
201 A4G 0.8846
202 KW7 0.8845
203 08C 0.8845
204 X2L 0.8840
205 YE7 0.8839
206 TRP 0.8837
207 EAE 0.8836
208 AQ1 0.8835
209 9RM 0.8835
210 3WK 0.8834
211 FCW 0.8834
212 UN3 0.8832
213 ZEA 0.8828
214 NE2 0.8828
215 A05 0.8825
216 DBS 0.8823
217 OUA 0.8822
218 5E4 0.8822
219 3Q0 0.8822
220 JVD 0.8821
221 47V 0.8821
222 88X 0.8819
223 801 0.8817
224 CDJ 0.8813
225 6ZW 0.8810
226 W8L 0.8810
227 S8G 0.8805
228 NFL 0.8805
229 1Q4 0.8805
230 9UL 0.8804
231 IXM 0.8804
232 JI2 0.8803
233 S1C 0.8802
234 ZRK 0.8800
235 H35 0.8799
236 AMR 0.8799
237 6HO 0.8797
238 FLF 0.8794
239 6JM 0.8791
240 IOP 0.8789
241 5N5 0.8786
242 4CN 0.8784
243 3AD 0.8783
244 TCW 0.8781
245 E9L 0.8780
246 C0H 0.8779
247 RE4 0.8778
248 CC6 0.8776
249 NFZ 0.8776
250 PE2 0.8775
251 H2W 0.8771
252 CX5 0.8771
253 4UM 0.8771
254 IMH 0.8764
255 OUG 0.8762
256 U98 0.8762
257 38E 0.8760
258 WLH 0.8760
259 Q5M 0.8760
260 D3G 0.8759
261 5S9 0.8756
262 4RG 0.8756
263 TCL 0.8755
264 9FG 0.8755
265 2FA 0.8754
266 AH6 0.8753
267 4Z9 0.8753
268 JFS 0.8747
269 AJ4 0.8746
270 ODK 0.8744
271 MIL 0.8743
272 4K2 0.8743
273 D1G 0.8742
274 6BK 0.8742
275 KLE 0.8742
276 53N 0.8742
277 T61 0.8737
278 9XZ 0.8737
279 1UZ 0.8736
280 GNG 0.8735
281 3SU 0.8730
282 GMP 0.8730
283 LVY 0.8729
284 MLO 0.8722
285 JPQ 0.8719
286 LWS 0.8716
287 0FR 0.8715
288 XYS XYP 0.8715
289 D2G 0.8714
290 EWG 0.8714
291 1HR 0.8713
292 SNB 0.8710
293 15Q 0.8710
294 U7E 0.8708
295 LU2 0.8707
296 HKK 0.8706
297 5I5 0.8705
298 KU1 0.8704
299 5GV 0.8704
300 Q9T 0.8703
301 21E 0.8703
302 5M2 0.8702
303 Y3J 0.8699
304 LR2 0.8699
305 78P 0.8696
306 1UT 0.8695
307 6NZ 0.8691
308 5F1 0.8691
309 H70 0.8691
310 VFJ 0.8690
311 DFV 0.8688
312 S7S 0.8688
313 4UO 0.8687
314 39Z 0.8684
315 XZ1 0.8683
316 UN9 0.8681
317 NIY 0.8680
318 3WL 0.8678
319 57D 0.8678
320 RK4 0.8677
321 MFR 0.8676
322 UAY 0.8673
323 EP4 0.8672
324 6H2 0.8671
325 FT6 0.8670
326 3CX 0.8666
327 AUE 0.8665
328 KP2 0.8665
329 3IL 0.8664
330 9FH 0.8664
331 40N 0.8663
332 0NJ 0.8663
333 IK1 0.8661
334 0LA 0.8659
335 CMG 0.8657
336 9BF 0.8655
337 D64 0.8655
338 T3P 0.8653
339 PRH 0.8652
340 AOY 0.8652
341 HA6 0.8651
342 5AD 0.8651
343 6F3 0.8649
344 FER 0.8648
345 M3W 0.8647
346 36Z 0.8647
347 0SY 0.8646
348 96Z 0.8641
349 UM3 0.8640
350 4I5 0.8639
351 LTN 0.8639
352 IA2 0.8636
353 X11 0.8636
354 XDK 0.8632
355 ERZ 0.8628
356 S8J 0.8625
357 P1J 0.8622
358 1Q2 0.8619
359 JF5 0.8618
360 0OL 0.8617
361 KLS 0.8615
362 ZRL 0.8613
363 5O6 0.8609
364 XJ2 0.8608
365 0OK 0.8607
366 AZZ 0.8606
367 OT4 0.8605
368 CG 0.8601
369 P9I 0.8595
370 67B 0.8595
371 NWW 0.8592
372 B4L 0.8592
373 A64 0.8588
374 MZR 0.8588
375 22L 0.8588
376 IPJ 0.8585
377 RPP 0.8585
378 51Y 0.8584
379 M3E 0.8584
380 NPZ 0.8583
381 100 0.8582
382 JF8 0.8580
383 PBQ 0.8579
384 FNT 0.8577
385 7XX 0.8575
386 FL8 0.8575
387 DJL 0.8573
388 HO4 0.8573
389 X48 0.8573
390 QS4 0.8569
391 7ZL 0.8569
392 M0Y 0.8568
393 GUS 0.8567
394 3L1 0.8565
395 WL3 0.8562
396 CL9 0.8562
397 7PJ 0.8560
398 7FZ 0.8559
399 ZIP 0.8550
400 1FE 0.8542
401 27K 0.8535
402 EF2 0.8528
403 QUE 0.8528
404 MHB 0.8526
405 7M2 0.8523
406 JPB 0.8518
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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