Receptor
PDB id Resolution Class Description Source Keywords
5QA4 1.95 Å EC: 3.5.2.6 OXA-48 IN COMPLEX WITH COMPOUND 3A 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
TI7 A:301;
B:301;
D:301;
C:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 170 uM
212.244 C14 H12 O2 Cc1cc...
EDO B:304;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CL B:302;
C:302;
B:303;
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: TI7; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 TI7 1 1
2 EAJ 0.596154 0.695652
3 AUV 0.591837 0.681818
4 WVV 0.58 0.714286
5 Q2R 0.545455 0.761905
6 L5D 0.470588 0.875
7 U4J 0.444444 0.608696
8 XEV 0.436364 0.608696
9 5F8 0.433962 0.619048
10 EFX 0.425926 0.666667
11 Q4G 0.415094 0.619048
12 S1D 0.415094 0.619048
13 5FL 0.415094 0.619048
14 OVV 0.413043 0.6875
Similar Ligands (3D)
Ligand no: 1; Ligand: TI7; Similar ligands found: 336
No: Ligand Similarity coefficient
1 X6P 0.9826
2 IQQ 0.9748
3 AVA 0.9732
4 YE6 0.9662
5 FCD 0.9661
6 1ER 0.9608
7 5C1 0.9572
8 VM1 0.9572
9 1FL 0.9499
10 B2T 0.9484
11 JSX 0.9473
12 LFQ 0.9439
13 MEX 0.9421
14 5F5 0.9380
15 1SF 0.9373
16 H7S 0.9373
17 6HX 0.9371
18 FC2 0.9368
19 TCC 0.9359
20 VBC 0.9349
21 FHI 0.9326
22 5E5 0.9316
23 XI7 0.9309
24 2GD 0.9299
25 TRP 0.9293
26 K48 0.9290
27 L1T 0.9242
28 KYN 0.9239
29 BBY 0.9232
30 WCU 0.9229
31 X29 0.9224
32 7L4 0.9202
33 TCL 0.9192
34 9UL 0.9189
35 27M 0.9186
36 0OL 0.9183
37 G14 0.9181
38 D1G 0.9177
39 ODK 0.9176
40 6J9 0.9174
41 2QU 0.9174
42 79W 0.9149
43 5P3 0.9144
44 VJJ 0.9142
45 FB4 0.9140
46 4E5 0.9139
47 XDK 0.9139
48 BPY 0.9132
49 KWB 0.9131
50 WOE 0.9127
51 4FF 0.9125
52 6NZ 0.9124
53 CTN 0.9112
54 AED 0.9104
55 D2G 0.9094
56 KW7 0.9093
57 MIL 0.9091
58 URI 0.9090
59 CUT 0.9088
60 22F 0.9083
61 0DF 0.9082
62 U7E 0.9074
63 ZYW 0.9068
64 DKZ 0.9067
65 DBS 0.9063
66 9FH 0.9061
67 LVY 0.9052
68 4EU 0.9050
69 KLE 0.9048
70 XIF XYP 0.9045
71 DKX 0.9045
72 A7Q 0.9042
73 5B2 0.9035
74 4GU 0.9033
75 3VW 0.9031
76 KF5 0.9023
77 JFS 0.9023
78 DTR 0.9021
79 M3E 0.9019
80 TIZ 0.9017
81 TOH 0.9014
82 NIY 0.9014
83 2JX 0.9014
84 LTN 0.9008
85 PZ8 0.9006
86 CJB 0.9006
87 BP3 0.9002
88 CC5 0.9001
89 5AD 0.8999
90 22L 0.8996
91 3IL 0.8992
92 3AD 0.8990
93 F16 0.8983
94 ADN 0.8981
95 X48 0.8978
96 BP6 0.8978
97 EV2 0.8977
98 ID8 0.8973
99 NOS 0.8972
100 DAH 0.8968
101 2GE 0.8965
102 KP2 0.8963
103 W29 0.8960
104 3RP 0.8960
105 78U 0.8958
106 6DE 0.8950
107 B4O 0.8950
108 HA6 0.8950
109 7VF 0.8949
110 P2L 0.8949
111 BZQ 0.8948
112 92G 0.8948
113 RVE 0.8947
114 QKU 0.8946
115 THM 0.8946
116 89J 0.8945
117 FCW 0.8945
118 FPL 0.8944
119 8OB 0.8941
120 AOJ 0.8939
121 5AE 0.8932
122 MJ5 0.8932
123 1HP 0.8931
124 A4G 0.8929
125 FMQ 0.8927
126 XYP XIF 0.8925
127 6J3 0.8924
128 0OY 0.8923
129 BP7 0.8918
130 2JM 0.8917
131 4GP 0.8917
132 EAT 0.8917
133 AZC 0.8910
134 AZY 0.8908
135 C0W 0.8904
136 6DQ 0.8901
137 R9G 0.8899
138 69K 0.8898
139 M5E 0.8896
140 4FP 0.8895
141 SQV 0.8893
142 96Z 0.8893
143 JA3 0.8892
144 RFZ 0.8888
145 N2Y 0.8887
146 XYP XDN 0.8885
147 XDN XYP 0.8885
148 ARJ 0.8884
149 DK4 0.8881
150 H70 0.8879
151 XDL XYP 0.8878
152 XIL 0.8878
153 GN6 0.8877
154 CUH 0.8876
155 S46 0.8875
156 J47 0.8870
157 K80 0.8869
158 DBE 0.8867
159 TB8 0.8867
160 EYJ 0.8867
161 DCZ 0.8866
162 0OK 0.8866
163 NAL 0.8863
164 GPK 0.8862
165 FT6 0.8859
166 E9P 0.8857
167 28B 0.8855
168 8OE 0.8853
169 Z15 0.8852
170 AMR 0.8852
171 FC3 0.8851
172 MZR 0.8849
173 BQ5 0.8848
174 4NR 0.8847
175 92O 0.8845
176 GPU 0.8843
177 EZN 0.8842
178 ISC 0.8841
179 NOC 0.8840
180 RK4 0.8838
181 977 0.8838
182 HX8 0.8835
183 7M5 0.8835
184 CH8 0.8834
185 1KN 0.8834
186 LJ3 0.8833
187 GPQ 0.8825
188 B23 0.8824
189 PBQ 0.8821
190 A6H 0.8820
191 FT2 0.8819
192 S0G 0.8814
193 Z57 0.8813
194 GNW 0.8812
195 MQS 0.8812
196 2TU 0.8811
197 0K7 0.8810
198 Y3J 0.8810
199 3CX 0.8805
200 EF2 0.8805
201 3WJ 0.8804
202 Q2S 0.8802
203 LJ4 0.8796
204 4Z9 0.8795
205 BZE 0.8792
206 3QI 0.8787
207 PIQ 0.8787
208 DCN 0.8785
209 TBN 0.8785
210 FT3 0.8782
211 F63 0.8781
212 XYP XYP 0.8780
213 T2D 0.8776
214 IQW 0.8775
215 FTV 0.8774
216 5I5 0.8773
217 9XZ 0.8771
218 BGC OXZ 0.8769
219 6QT 0.8769
220 AJD 0.8767
221 AJ4 0.8765
222 AKD 0.8761
223 FT1 0.8761
224 EYY 0.8755
225 AVX 0.8747
226 NWD 0.8743
227 0OM 0.8743
228 IOP 0.8742
229 9PL 0.8741
230 IMH 0.8733
231 CJZ 0.8733
232 9FG 0.8733
233 FMB 0.8727
234 N1E 0.8726
235 15Q 0.8723
236 DUR 0.8723
237 11X 0.8722
238 CU8 0.8721
239 7O4 0.8719
240 51Y 0.8717
241 BIE 0.8717
242 C2M 0.8715
243 MMS 0.8714
244 PYU 0.8713
245 1Q4 0.8712
246 I5A 0.8711
247 GT4 0.8710
248 IFM BGC 0.8709
249 G30 0.8709
250 50C 0.8709
251 5FD 0.8708
252 9W5 0.8708
253 KOM 0.8708
254 7M2 0.8707
255 AD3 0.8707
256 0GA 0.8706
257 S0F 0.8702
258 0DN 0.8701
259 AV4 0.8699
260 S2T 0.8698
261 43F 0.8693
262 5BT 0.8692
263 9BF 0.8692
264 7G1 0.8691
265 8UY 0.8690
266 DFL 0.8690
267 F01 0.8682
268 FLF 0.8680
269 WDW 0.8679
270 Q8G 0.8679
271 2OH 0.8678
272 HBI 0.8676
273 ZEA 0.8675
274 7EH 0.8675
275 0QW 0.8674
276 2KU 0.8673
277 46P 0.8672
278 FMC 0.8672
279 2LX 0.8667
280 PZX 0.8664
281 DNB 0.8663
282 42R 0.8662
283 N9J 0.8661
284 FM2 0.8659
285 Y70 0.8656
286 16Z 0.8653
287 3DE 0.8650
288 OSB 0.8649
289 HNL 0.8645
290 6XC 0.8645
291 XYS XYP 0.8640
292 3WN 0.8638
293 3WO 0.8638
294 68B 0.8636
295 B4L 0.8636
296 TGW 0.8633
297 RSV 0.8630
298 1U7 0.8630
299 37E 0.8627
300 TVZ 0.8626
301 H4B 0.8626
302 3D1 0.8621
303 JRB 0.8616
304 6ZX 0.8615
305 MNP 0.8610
306 3JC 0.8608
307 AWE 0.8607
308 5N5 0.8606
309 PUR 0.8605
310 CSN 0.8604
311 A7K 0.8604
312 IWH 0.8601
313 PRH 0.8598
314 H2B 0.8596
315 DIF 0.8596
316 54E 0.8593
317 GFE 0.8590
318 57D 0.8588
319 QME 0.8581
320 NAR 0.8578
321 0ON 0.8574
322 1DA 0.8574
323 5CD 0.8568
324 D1M 0.8566
325 D64 0.8566
326 MDR 0.8564
327 DJL 0.8554
328 0QA 0.8551
329 78Y 0.8550
330 5O6 0.8544
331 5KN 0.8538
332 SNB 0.8534
333 5P7 0.8530
334 90G 0.8529
335 YZM 0.8523
336 AUE 0.8519
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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