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Receptor
PDB id Resolution Class Description Source Keywords
5EHI 1.3 Å EC: 2.1.1.57 DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONIN MOLECULE BF287 DENGUE VIRUS TYPE 3 (STRAIN PHILIPPINES/H87/1956) TRANSFERASE DENGUE VIRUS NS5 METHYLTRANSFERASE FRAGMENT-BDISCOVERY
Ref.: DISCOVERY OF NOVEL DENGUE VIRUS NS5 METHYLTRANSFERA NON-NUCLEOSIDE INHIBITORS BY FRAGMENT-BASED DRUG DE EUR.J.MED.CHEM. V. 125 865 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAM A:4001;
C:4000;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
5O3 A:4002;
Valid;
none;
submit data
460.891 C20 H17 Cl N4 O5 S c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CUQ 1.7 Å EC: 2.1.1.57 IDENTIFICATION AND CHARACTERIZATION OF NOVEL BROAD SPECTRUM OF THE FLAVIVIRUS METHYLTRANSFERASE DENGUE VIRUS 3 INHIBITOR COMPLEX DENGUE VIRUS METHYLTRANSFERASE VIRAL PINHIBITOR COMPLEX
Ref.: IDENTIFICATION AND CHARACTERIZATION OF NOVEL BROAD-INHIBITORS OF THE FLAVIVIRUS METHYLTRANSFERASE. ACS INFECT DIS. V. 1 340 2015
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
3 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
4 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
5 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
6 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
8 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
9 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
11 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
12 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
13 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 2P3L - G3A C20 H27 N10 O17 P3 c1nc(c2c(n....
2 2P41 - G1G C22 H32 N10 O18 P3 Cn1c[n+](c....
3 1L9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5M5B - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 5GOZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 5GP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 5KQR - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 5NJU - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
10 5MRK - SFG C15 H23 N7 O5 c1nc(c2c(n....
11 5NJV - SAM C15 H22 N6 O5 S C[S@@+](CC....
12 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
14 3LKZ - SFG C15 H23 N7 O5 c1nc(c2c(n....
15 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 2PX5 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 2PXA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
18 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
19 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
20 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
21 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
22 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
23 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
24 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
25 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
26 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
27 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
28 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
29 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
30 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
31 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
32 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
33 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3EVA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3EVC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3EVF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 3EVB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 3EVD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3EVE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 3ELU - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 3ELW - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 3EMD - SFG C15 H23 N7 O5 c1nc(c2c(n....
10 3ELD - SFG C15 H23 N7 O5 c1nc(c2c(n....
11 3ELY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 3EMB - SAM C15 H22 N6 O5 S C[S@@+](CC....
13 2P3L - G3A C20 H27 N10 O17 P3 c1nc(c2c(n....
14 2P41 - G1G C22 H32 N10 O18 P3 Cn1c[n+](c....
15 1L9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5M5B - SAM C15 H22 N6 O5 S C[S@@+](CC....
17 5GOZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 5GP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
19 5KQR - SAM C15 H22 N6 O5 S C[S@@+](CC....
20 5NJU - SAH C14 H20 N6 O5 S c1nc(c2c(n....
21 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
22 5MRK - SFG C15 H23 N7 O5 c1nc(c2c(n....
23 5NJV - SAM C15 H22 N6 O5 S C[S@@+](CC....
24 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
25 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
26 3LKZ - SFG C15 H23 N7 O5 c1nc(c2c(n....
27 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
28 2PX5 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
29 2PXA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
30 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
31 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
32 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
33 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
34 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
35 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
36 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
37 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
38 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
39 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
40 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
41 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
42 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
43 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
44 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
45 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
46 3GCZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
47 2WA2 - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAM; Similar ligands found: 202
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 ADN 0.565789 0.773333
9 RAB 0.565789 0.773333
10 XYA 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 DTA 0.536585 0.789474
21 62X 0.535354 0.884615
22 MTA 0.53012 0.875
23 3DH 0.517647 0.849315
24 5AL 0.510417 0.743902
25 54H 0.510204 0.673913
26 VMS 0.510204 0.673913
27 0UM 0.51 0.857143
28 AMP 0.505747 0.707317
29 LMS 0.505747 0.666667
30 A 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 SON 0.5 0.746988
34 SSA 0.5 0.684783
35 6RE 0.5 0.78481
36 K15 0.5 0.883117
37 5AD 0.5 0.75
38 SRP 0.5 0.746988
39 LSS 0.49505 0.706522
40 CA0 0.494624 0.714286
41 A12 0.494505 0.705882
42 AP2 0.494505 0.705882
43 ME8 0.490385 0.841463
44 TSB 0.49 0.681319
45 53H 0.49 0.666667
46 DAL AMP 0.49 0.765432
47 5CA 0.49 0.684783
48 ACP 0.489362 0.694118
49 ADP 0.48913 0.690476
50 5AS 0.48913 0.648936
51 J7C 0.488889 0.772152
52 A2D 0.488889 0.690476
53 ZAS 0.488636 0.769231
54 9ZD 0.485149 0.729412
55 9ZA 0.485149 0.729412
56 8QN 0.485149 0.743902
57 GAP 0.484536 0.73494
58 AN2 0.483871 0.682353
59 A3S 0.483871 0.813333
60 A7D 0.483871 0.851351
61 GJV 0.483516 0.775
62 SRA 0.483146 0.694118
63 LAD 0.480769 0.752941
64 KAA 0.480769 0.698925
65 GSU 0.480769 0.722222
66 AMO 0.480392 0.746988
67 DSZ 0.480392 0.703297
68 52H 0.48 0.666667
69 M33 0.478723 0.722892
70 BA3 0.478261 0.690476
71 MAO 0.478261 0.82716
72 NEC 0.477778 0.75
73 AOC 0.477778 0.776316
74 DSH 0.477778 0.842105
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 NVA LMS 0.475728 0.736264
78 Y3J 0.47561 0.706667
79 G5A 0.474227 0.684783
80 A3T 0.473684 0.8
81 B4P 0.473118 0.690476
82 AP5 0.473118 0.690476
83 A3N 0.472527 0.766234
84 KB1 0.471698 0.833333
85 PRX 0.46875 0.73494
86 APC 0.46875 0.705882
87 AT4 0.468085 0.686047
88 PAJ 0.466019 0.712644
89 4AD 0.466019 0.759036
90 RBY 0.463918 0.72619
91 ADP PO3 0.463918 0.728395
92 ADV 0.463918 0.72619
93 ADX 0.463158 0.666667
94 MHZ 0.463158 0.82716
95 AU1 0.463158 0.674419
96 YAP 0.462963 0.738095
97 TXA 0.462264 0.72619
98 NB8 0.462264 0.72093
99 A3G 0.461538 0.802632
100 VRT 0.459184 0.842105
101 XAH 0.458716 0.715909
102 YSA 0.458716 0.684783
103 HEJ 0.458333 0.690476
104 50T 0.458333 0.682353
105 ATP 0.458333 0.690476
106 LEU LMS 0.457143 0.717391
107 7D7 0.45679 0.723684
108 KH3 0.455357 0.871795
109 ACQ 0.454545 0.694118
110 AR6 0.453608 0.710843
111 APR 0.453608 0.710843
112 AQP 0.453608 0.690476
113 5FA 0.453608 0.690476
114 NSS 0.451923 0.703297
115 FA5 0.449541 0.746988
116 A5D 0.44898 0.789474
117 AD9 0.44898 0.674419
118 AGS 0.44898 0.678161
119 SAP 0.44898 0.678161
120 PTJ 0.448598 0.72093
121 YLB 0.448276 0.758621
122 YLP 0.447368 0.738636
123 8X1 0.446602 0.680851
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 3AM 0.444444 0.674699
128 MYR AMP 0.444444 0.776471
129 OAD 0.443396 0.73494
130 2VA 0.443299 0.779221
131 S8M 0.442308 0.831169
132 OOB 0.442308 0.722892
133 TYR AMP 0.441441 0.759036
134 6YZ 0.441176 0.694118
135 ADP VO4 0.441176 0.702381
136 VO4 ADP 0.441176 0.702381
137 T99 0.44 0.686047
138 TAT 0.44 0.686047
139 ANP 0.44 0.674419
140 WAQ 0.439252 0.75
141 B5Y 0.436364 0.717647
142 8PZ 0.436364 0.684783
143 F0P 0.435897 0.844156
144 YLC 0.435897 0.755814
145 AAT 0.435644 0.797468
146 1ZZ 0.435185 0.755814
147 9K8 0.435185 0.663158
148 3OD 0.435185 0.73494
149 NVA 2AD 0.434343 0.855263
150 00A 0.433962 0.689655
151 DLL 0.433962 0.722892
152 ARG AMP 0.433628 0.727273
153 7MD 0.433628 0.715909
154 ATF 0.431373 0.666667
155 SO8 0.43 0.792208
156 3UK 0.429907 0.714286
157 A6D 0.429907 0.72619
158 9X8 0.429907 0.717647
159 F2R 0.429752 0.7
160 5SV 0.428571 0.741176
161 AMP DBH 0.428571 0.714286
162 TYM 0.42735 0.746988
163 WSA 0.42735 0.692308
164 9SN 0.427273 0.681818
165 AHZ 0.426087 0.755814
166 P5A 0.425926 0.691489
167 B5V 0.425926 0.705882
168 PR8 0.425926 0.744186
169 A A 0.425926 0.710843
170 3NZ 0.425926 0.807692
171 A1R 0.424528 0.709302
172 2A5 0.424242 0.674419
173 7MC 0.423729 0.719101
174 B5M 0.423423 0.717647
175 7D5 0.422222 0.658824
176 JB6 0.422018 0.709302
177 FYA 0.422018 0.722892
178 AYB 0.421488 0.75
179 A22 0.419048 0.682353
180 MAP 0.419048 0.659091
181 2AM 0.417582 0.666667
182 TAD 0.417391 0.712644
183 A3P 0.416667 0.686747
184 ADP BMA 0.416667 0.714286
185 25A 0.415094 0.690476
186 YLA 0.413223 0.719101
187 8Q2 0.411765 0.663158
188 A3R 0.411215 0.709302
189 ADQ 0.411215 0.694118
190 48N 0.410256 0.72093
191 0XU 0.41 0.824324
192 GA7 0.408696 0.72619
193 7D3 0.40625 0.643678
194 PAP 0.405941 0.678571
195 DQV 0.405172 0.702381
196 OVE 0.404255 0.662791
197 4UV 0.403509 0.697674
198 AF3 ADP 3PG 0.403361 0.712644
199 3AD 0.402299 0.783784
200 CMP 0.402062 0.691358
201 2BA 0.402062 0.682927
202 7C5 0.4 0.731707
Ligand no: 2; Ligand: 5O3; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 5O3 1 1
2 5O0 0.642857 0.835821
3 5LP 0.406977 0.634921
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CUQ; Ligand: NSC; Similar sites found with APoc: 415
This union binding pocket(no: 1) in the query (biounit: 5cuq.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4IRP UDP 1.19522
3 2W58 ADP 1.48515
4 1KYQ NAD 1.49813
5 1XTP SAI 1.5748
6 6ECU SAH 1.87266
7 4Y9D NAI 1.87266
8 6ECW SAH 1.87266
9 5XNC MTA 1.87266
10 1BW9 NAD 1.87266
11 4LC1 GDP 1.87266
12 5CK5 GDP 1.87266
13 2A14 SAH 1.90114
14 1JJ7 ADP 1.92308
15 1QAN SAH 2.04918
16 4DYG NAG NAG NAG NAG 2.04918
17 5U32 GDP 2.11864
18 1MZV AMP 2.12766
19 1XDS SAM 2.13904
20 1GXU 2HP 2.1978
21 5E72 SAM 2.24719
22 5F8F SFG 2.24719
23 3QOX SAH 2.24719
24 1U2Z SAH 2.24719
25 3FUU ADN 2.24719
26 2PT9 S4M 2.24719
27 3BP1 GUN 2.24719
28 3A27 SAM 2.24719
29 5MW4 5JU 2.24719
30 2I7C AAT 2.24719
31 2PT9 2MH 2.24719
32 1OFZ FUC 2.24719
33 6F97 FAD 2.24719
34 4IHQ ADP 2.24719
35 2ZFU SAH 2.32558
36 3FGZ BEF 2.34375
37 3GEG NAD 2.42915
38 1JG3 ADN 2.55319
39 5LOG SAH 2.57511
40 3GU3 SAH 2.62172
41 4UCI SAM 2.62172
42 4KRG SAH 2.62172
43 3VSE SAH 2.62172
44 1FP1 SAH 2.62172
45 5KVA SAM 2.62172
46 1V59 NAD 2.62172
47 3O7W SAM 2.62172
48 3TLJ SAH 2.62172
49 4YAC NAI 2.62172
50 4RW3 TDA 2.62172
51 1NV8 MEQ 2.62172
52 1NV8 SAM 2.62172
53 4BLW SAH 2.62172
54 4RW3 PLM 2.62172
55 3GRU AMP 2.62172
56 1CT9 AMP 2.62172
57 3N75 G4P 2.62172
58 4BLW AMP 2.62172
59 4TQG NDP 2.62172
60 5GWX SAM 2.62172
61 5GWX SAR 2.62172
62 3A4M ADP 2.69231
63 2YFB SIN 2.71318
64 4CQM NAP 2.86885
65 3GDH SAH 2.90456
66 2HNK SAH 2.92887
67 4YUW 4JU 2.96053
68 4YUW S4M 2.96053
69 1SQF SAM 2.99625
70 3T7S SAM 2.99625
71 2ZIF SAM 2.99625
72 5W7K SAH 2.99625
73 1QZZ SAM 2.99625
74 5GM1 SAH 2.99625
75 3THR C2F 2.99625
76 4C4A SAH 2.99625
77 3FSY SCA 2.99625
78 2ZWA SAH 2.99625
79 3HQP FDP 2.99625
80 3FPF TNA 2.99625
81 2IF8 ADP 2.99625
82 4XFR CIT 2.99625
83 3FPF MTA 2.99625
84 3PPQ CHT 2.99625
85 5X62 SAH 2.99625
86 1RRC ADP 2.99625
87 5H4S RAM 2.99625
88 3EC1 GDP 2.99625
89 1QH9 LAC 3.01724
90 4DE3 DN8 3.04183
91 5N5D SAM 3.09735
92 5OVK NDP 3.125
93 3DUW SAH 3.13901
94 5EEH SAH 3.19149
95 5EEH P9P 3.19149
96 3G89 SAM 3.21285
97 2VDV SAM 3.25203
98 4JLS 3ZE 3.28947
99 5E1M SAH 3.3195
100 5E1M PRO PRO LYS ARG ILE ALA 3.3195
101 4YMH SAH 3.33333
102 5ZZ6 ADP 3.36538
103 1G55 SAH 3.37079
104 5MPT SAH 3.37079
105 2UYQ SAM 3.37079
106 6D6Y SAH 3.37079
107 4A6D SAM 3.37079
108 5IL1 SAM 3.37079
109 5K7U SAM 3.37079
110 2AOT SAH 3.37079
111 1L1E SAH 3.37079
112 1TPY SAH 3.37079
113 1KPH SAH 3.37079
114 1KPG SAH 3.37079
115 3NB0 G6P 3.37079
116 3COB ADP 3.37079
117 3X01 AMP 3.37079
118 5T96 79J 3.37079
119 1ZED PNP 3.37079
120 2IZ1 ATR 3.37079
121 4AG5 ADP 3.37079
122 1LVL NAD 3.37079
123 3MD0 GDP 3.37079
124 1JQ3 AAT 3.37079
125 4EUE NAI 3.37079
126 3R9V DXC 3.37079
127 5K4G ASP 3.37079
128 1SW1 PBE 3.37079
129 4L80 OXL 3.37079
130 3EGI ADP 3.39806
131 3GUZ PAF 3.40909
132 5GVR LMR 3.4188
133 4R6W PC 3.48837
134 4R6W SAH 3.48837
135 3P2E SAH 3.55556
136 5E50 ALA TYR ASP GLU SEP TPO ASP GLU GLU 3.6036
137 3L1N PLM 3.60825
138 4XUC SAM 3.66972
139 4XUC 43G 3.66972
140 3OFK SAH 3.7037
141 2O66 FLC 3.7037
142 5E9W SAH 3.74532
143 5DNK SAH 3.74532
144 2EFJ SAH 3.74532
145 4DCM SAM 3.74532
146 3TKA SAM 3.74532
147 3LST SAH 3.74532
148 3A25 SAM 3.74532
149 5JGL SAM 3.74532
150 3SSO SAH 3.74532
151 5I34 GDP 3.74532
152 5U19 827 3.74532
153 5U19 SAH 3.74532
154 5ZW3 SAH 3.74532
155 3C6K MTA 3.74532
156 3C6K SPD 3.74532
157 5MB4 NDG 3.74532
158 5MB4 NAG 3.74532
159 3PFG SAM 3.80228
160 3PFG TLO 3.80228
161 3LCC SAH 3.82979
162 1RO7 CSF 3.861
163 2FKA BEF 3.87597
164 4V3I ASP LEU THR ARG PRO 3.89105
165 3FZG SAM 4
166 1UNQ 4IP 4
167 4NAE 1GP 4
168 1IM8 SAI 4.09836
169 5THY SAH 4.11985
170 5THZ SAH 4.11985
171 1YXM ADE 4.11985
172 1FP2 SAH 4.11985
173 3CBG SAH 4.11985
174 1ZQ9 SAM 4.11985
175 4AZW SAM 4.11985
176 2GWH PCI 4.11985
177 3VC1 SAH 4.11985
178 3VC1 GST 4.11985
179 2DPM SAM 4.11985
180 3LCV SAM 4.11985
181 1BXK NAD 4.11985
182 1UAY ADN 4.13223
183 5GT9 NAP 4.18251
184 5FA8 SAM 4.34783
185 2YX1 SFG 4.49438
186 3M6W SAM 4.49438
187 1WG8 SAM 4.49438
188 3S1S SAH 4.49438
189 3B6H MXD 4.49438
190 5FWA J7C 4.49438
191 6CB2 OLC 4.49438
192 6B92 SAH 4.49438
193 3WBZ ATP 4.49438
194 1WVG APR 4.49438
195 5ICE 2H4 4.49438
196 6F5U CQN 4.49438
197 4POO SAM 4.5
198 5Z3I ADE 4.5283
199 3WV8 ATP 4.58716
200 3JWH SAH 4.60829
201 1XX6 ADP 4.71204
202 3FRH SAH 4.74308
203 6GFK SAH 4.78088
204 3A4T SFG 4.86891
205 1N2X SAM 4.86891
206 3DMH SAM 4.86891
207 3MAG SAH 4.86891
208 4PNE SAH 4.86891
209 3DMH GMP 4.86891
210 1GOJ ADP 4.86891
211 1PJS NAD 4.86891
212 3MCT SAH 4.86891
213 5L95 AMP 4.86891
214 3H8V ATP 4.86891
215 1W8D NAP 4.86891
216 1W73 NAP 4.86891
217 3RKR NAP 4.96183
218 6C8R SAH 5.24345
219 3TKY SAH 5.24345
220 4KRI SAH 5.24345
221 1Z3C SA8 5.24345
222 4ONQ SFG 5.24345
223 2O07 SPD 5.24345
224 4X60 SFG 5.24345
225 2O07 MTA 5.24345
226 4X60 3XV 5.24345
227 6C8R EQV 5.24345
228 5JE0 SAH 5.26316
229 5JE0 AZ8 5.26316
230 3W68 4PT 5.26316
231 4NEC SAH 5.30303
232 1C3V PDC 5.30612
233 1ZGA SAH 5.32213
234 1Q0S SAH 5.40541
235 4FZV SAM 5.43933
236 3MB5 SAM 5.4902
237 1P1C SAH 5.52764
238 5O74 GDP 5.58376
239 1DL5 SAH 5.61798
240 6ECT SAM 5.61798
241 3RS8 ALA TRP LEU PHE GLU ALA 5.61798
242 1Y8Q ATP 5.61798
243 5DM1 SAH 5.61798
244 5DM1 5D7 5.61798
245 4RPL 3UC 5.61798
246 4RPL FAD 5.61798
247 3ZZH NLG 5.61798
248 5YEC ATP 5.61798
249 4RDH AMP 5.61798
250 1LK7 DER 5.67686
251 1VE3 SAM 5.72687
252 1L3I SAH 5.72917
253 1I1N SAH 5.75221
254 1WY7 SAH 5.7971
255 4OBW SAM 5.83658
256 5UFN SAH 5.88235
257 1NW5 SAM 5.99251
258 2AWN ADP 5.99251
259 2FK8 SAM 5.99251
260 1W6U NAP 5.99251
261 1TZD ADP 5.99251
262 6BQ6 TER 5.99251
263 5LX9 OLB 5.99251
264 3W5N RAM 5.99251
265 2PK3 A2R 5.99251
266 2VHL GLP 5.99251
267 5O22 C3R 5.99251
268 5N26 CPT 6.04396
269 4IWN GEK 6.11354
270 1G6H ADP 6.22568
271 4KIB SAH 6.36704
272 5W7M SAH 6.36704
273 1RJD SAM 6.36704
274 5HJM MTA 6.36704
275 4N14 WR7 6.36704
276 4M73 M72 6.36704
277 4M73 SAH 6.36704
278 4LHD GLY 6.36704
279 1G6O ADP 6.36704
280 2WHX ADP 6.36704
281 5XLX SAH 6.36704
282 5ZBR ANP 6.36704
283 1W5T ADP 6.36704
284 2Q28 ADP 6.38298
285 5Z2F PDC 6.41509
286 1W2D ADP 6.41509
287 3MQ2 SAH 6.42202
288 2BZG SAH 6.46552
289 2VT3 ATP 6.51163
290 1JGS SAL 6.52174
291 2PZE ATP 6.55022
292 5YF1 SFG 6.74157
293 3PT9 SAH 6.74157
294 4F06 PHB 6.74157
295 4WOE 3S5 6.74157
296 5YF1 8V0 6.74157
297 4TQK NAG 6.74157
298 3C3Y SAH 6.75105
299 5N1X 8HH 6.77966
300 3HVJ 705 6.78733
301 1UZN NAP 6.88259
302 6A0S NDP 6.92771
303 3WUR O4B 7.01754
304 2XVM SAH 7.03518
305 3BXO SAM 7.11297
306 2EG5 SAH 7.11611
307 4LWP SAH 7.11611
308 3O01 DXC 7.11611
309 3U4C NDP 7.11611
310 3Q87 SAM 7.2
311 3G2O SAM 7.35786
312 3H2B SAH 7.38916
313 2PXX SAH 7.44186
314 1DTL BEP 7.45342
315 5KOK SAH 7.49064
316 1I9G SAM 7.49064
317 1KYZ SAH 7.49064
318 3I53 SAH 7.49064
319 4Y30 49L 7.49064
320 2JJQ SAH 7.49064
321 5KOK S9T 7.49064
322 4BWL MN9 7.49064
323 5KOK R9T 7.49064
324 3WY9 GDP 7.49064
325 4Y30 SAH 7.49064
326 6DZN AE3 7.52212
327 4F8L AES 7.58621
328 2JHP SAH 7.86517
329 5T63 ALA ALA ALA ALA 7.86517
330 5BSZ SAH 7.86517
331 2NXE SAM 7.87402
332 1R18 SAH 7.92952
333 1F3L SAH 8.2397
334 6GKV SAH 8.2397
335 4LJ9 ACP 8.2397
336 3OU2 SAH 8.25688
337 5M58 SAH 8.26087
338 1Z0N BCD 8.33333
339 1G60 SAM 8.46154
340 3UIE ANP 8.5
341 5FUB SAH 8.61423
342 1RJW ETF 8.61423
343 5YJI SAH 8.61423
344 4FC7 NAP 8.61423
345 4FC7 COA 8.61423
346 1KHT AMP 8.85417
347 3GD8 GOL 8.96861
348 4DMG SAM 8.98876
349 5YJF SAH 8.98876
350 5YJF 8WO 8.98876
351 5MGZ SAH 8.98876
352 5E8J SAH 9.09091
353 5TB5 GDP 9.33333
354 3LRE ADP 9.3633
355 5KIQ SIA GAL NAG FUC 9.64467
356 5ERG SAM 9.73783
357 5BW4 SAM 9.73783
358 4MCC 21X 9.7561
359 6FDF SAH 10.1124
360 1WPQ 13P 10.1124
361 3L9W AMP 10.1124
362 3L9W GSH 10.1124
363 2BOS GLA GAL GLC 10.2941
364 2BOS GLA GAL GLC NBU 10.2941
365 2HMT NAI 10.4167
366 2EJU SAH 10.4869
367 4QTU SAM 11.1111
368 5WP5 SAH 11.6105
369 2G50 ALA 11.6105
370 4G5H UD7 11.6105
371 5WP4 SAH 11.985
372 3GWZ SAH 11.985
373 3GXO SAH 11.985
374 5W7R SAH 11.985
375 1KO8 6PG 12
376 3WFD AXO 12.3596
377 4I9A NCN 12.7341
378 5DX8 SFG 13.1086
379 5DXA SFG 13.1086
380 5DX1 SFG 13.1086
381 5DX0 SFG 13.1086
382 5DWQ SFG 13.1086
383 6ARJ SAH 13.1086
384 6ARJ BW4 13.1086
385 4CS9 AMP 13.2275
386 3IWD M2T 13.2353
387 5FTW SAH 13.6719
388 2D5X L35 13.6986
389 3ZLQ 6T9 13.9344
390 6DUB SAH 13.964
391 6C5B SAH 14.6067
392 3BGD SAH 14.6154
393 3BGD PM6 14.6154
394 1PVC ILE SER GLU VAL 14.7059
395 6F5Z SAH 15.1515
396 5TVI O8N 15.2174
397 3VYW SAM 15.3558
398 4II2 ATP 15.6627
399 2XYQ SAH 16.3934
400 4M37 SAH 16.4794
401 1T57 FMN 16.5049
402 1HTW ADP 17.7215
403 3KP6 SAL 18.543
404 3X0D SAH 19.4757
405 2PWY SAH 19.7674
406 6BJO DUY 20.8
407 2Y69 CHD 21.6216
408 5Z84 CHD 22.9358
409 5ZCO CHD 22.9358
410 5W97 CHD 22.9358
411 1LSS NAD 23.5714
412 4F4S EFO 23.6842
413 4U00 ADP 24.1803
414 1UO4 PIH 29.4118
415 1EJ0 SAM 40
416 5FA5 MTA 50
Pocket No.: 2; Query (leader) PDB : 5CUQ; Ligand: NSC; Similar sites found with APoc: 356
This union binding pocket(no: 2) in the query (biounit: 5cuq.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4BQS ADP None
2 4ITU 1HS 1.49813
3 4ITU NAI 1.49813
4 4REP FAD 1.87266
5 3ABI NAD 1.87266
6 5NII FAD 1.87266
7 3QWI NAP 1.87266
8 1GEG NAD 1.95312
9 2Q1S NAI 2.24719
10 2JB2 PHE 2.24719
11 2JB2 FAD 2.24719
12 3GF4 FAD 2.24719
13 4MO2 FDA 2.24719
14 3BWN PMP 2.24719
15 2R4J FAD 2.24719
16 2R4J 13P 2.24719
17 1IY8 NAD 2.24719
18 3GF4 UPG 2.24719
19 4MO2 FAD 2.24719
20 2XVF FAD 2.24719
21 1I2B UPG 2.24719
22 1I2B USQ 2.24719
23 1I2B NAD 2.24719
24 4HA6 FAD 2.24719
25 5Z75 NAD 2.24719
26 1U7T TDT 2.29885
27 6CI9 NAP 2.3166
28 5Z2L NDP 2.44898
29 2BD0 NAP 2.45902
30 3WXB NDP 2.50896
31 1MVQ MMA 2.54237
32 5THQ NDP 2.57353
33 5JAQ NAI 2.62172
34 2Z3Y F2N 2.62172
35 1EK6 NAI 2.62172
36 1SB8 UD2 2.62172
37 1SB8 NAD 2.62172
38 1V59 FAD 2.62172
39 3A4V PYR 2.62172
40 3LZW NAP 2.62172
41 4RVG TYD 2.62172
42 5K0A FAD 2.62172
43 3QPB URA 2.62172
44 4RVG SAM 2.62172
45 3LZW FAD 2.62172
46 1XSE NDP 2.62172
47 2YG3 FAD 2.62172
48 3A4V NAD 2.62172
49 5LXB 7A9 2.62172
50 5YU3 NAD 2.62172
51 5YU3 PRO 2.62172
52 5TTJ FAD 2.62172
53 3NTD FAD 2.62172
54 3V1U NAD 2.62172
55 2BGM NAJ 2.62172
56 1EK6 UPG 2.62172
57 3NT6 FAD 2.62172
58 5BUK FAD 2.62172
59 3NTA FAD 2.62172
60 4Z24 FAD 2.62172
61 1MFI FHC 2.63158
62 2WYV NAD 2.68199
63 2AE2 PTO 2.69231
64 2AE2 NAP 2.69231
65 3A28 NAD 2.71318
66 3D3W NAP 2.86885
67 1PR9 NAP 2.86885
68 1VL8 NAP 2.99625
69 3HQP OXL 2.99625
70 5F2K OCA 2.99625
71 5F2K SAH 2.99625
72 1YQZ FAD 2.99625
73 1RSG FAD 2.99625
74 2GV8 FAD 2.99625
75 4MIG G3F 2.99625
76 2GVC FAD 2.99625
77 6GAS FAD 2.99625
78 5XWV 8H6 2.99625
79 1VQW FAD 2.99625
80 3KO8 NAD 2.99625
81 5XWV NDP 2.99625
82 1H82 GZZ 2.99625
83 2GMH FAD 2.99625
84 1H82 FAD 2.99625
85 1ZK7 FAD 2.99625
86 5OVL NAP 2.99625
87 2CUL FAD 3.01724
88 2DTX BMA 3.0303
89 4DDY DN6 3.04183
90 1XG5 NAP 3.22581
91 4URF NAD 3.22581
92 1UDB NAD 3.37079
93 1UDB UFG 3.37079
94 5JCM ISD 3.37079
95 5JCM FAD 3.37079
96 5JCM NAD 3.37079
97 1JQD SAH 3.37079
98 1GPE FAD 3.37079
99 3H4V DVP 3.37079
100 2XVE FAD 3.37079
101 3H4V NAP 3.37079
102 1MXH DHF 3.37079
103 1MXH NAP 3.37079
104 5G3U ITW 3.37079
105 5G3U FDA 3.37079
106 1JQD HSM 3.37079
107 2V6G NAP 3.37079
108 5HSA FAS 3.37079
109 6EL3 NAP 3.37079
110 3OJF IMJ 3.50195
111 3OJF NDP 3.50195
112 2WSB NAD 3.54331
113 4YSX FAD 3.7234
114 1OC2 NAD 3.74532
115 1OC2 TDX 3.74532
116 3S5W FAD 3.74532
117 1MO9 FAD 3.74532
118 1MO9 KPC 3.74532
119 3QJ4 FAD 3.74532
120 2GAG NAD 3.74532
121 3O03 NAP 3.74532
122 5ME4 HP4 3.74532
123 2GAG FAD 3.74532
124 1V35 NAI 3.74532
125 2NPX NAD 3.74532
126 2NPX FAD 3.74532
127 2GAG FOA 3.74532
128 6EQS BV8 3.74532
129 2GJP MAL 3.74532
130 5FJN FAD 3.74532
131 5FJN BE2 3.74532
132 2Y6Q FAD 3.74532
133 2Y6Q I7T 3.74532
134 3AXB FAD 3.74532
135 3AXB PRO 3.74532
136 5O98 NAP 3.74532
137 5BTX CMP 4.10959
138 4B63 ORN 4.11985
139 4B63 FAD 4.11985
140 4B63 NAP 4.11985
141 1Z45 NAD 4.11985
142 1R6D NAD 4.11985
143 1O97 FAD 4.11985
144 1O97 AMP 4.11985
145 1FP2 HMO 4.11985
146 5N0J FAD 4.11985
147 6DNT NAD 4.11985
148 3HB5 NAP 4.11985
149 3JQF NAP 4.11985
150 1R6D DAU 4.11985
151 5JDI NAP 4.11985
152 3E1T FAD 4.11985
153 4CMI NAP 4.11985
154 5K6A NAP 4.11985
155 5JCJ NAP 4.11985
156 2VZ0 D64 4.11985
157 2VZ0 NAP 4.11985
158 4CME NAP 4.11985
159 5JDC NAP 4.11985
160 5DF1 NAP 4.11985
161 5DF1 58X 4.11985
162 2WD7 NAP 4.11985
163 3BMN NAP 4.11985
164 4CLO NAP 4.11985
165 4CLR NAP 4.11985
166 4CM8 NAP 4.11985
167 4CM4 NAP 4.11985
168 3BMQ NAP 4.11985
169 3BMO NAP 4.11985
170 4CM9 NAP 4.11985
171 3JQ8 NAP 4.11985
172 3JQ9 NAP 4.11985
173 3AYI HCI 4.11985
174 3AYI FAD 4.11985
175 4FRZ ADP 4.11985
176 3RFV NAI 4.11985
177 3JQB NAP 4.11985
178 3LAD FAD 4.11985
179 1NAA 6FA 4.11985
180 1NAA ABL 4.11985
181 3RFV 15L 4.11985
182 5WS9 AMP 4.11985
183 1H5Q NAP 4.15094
184 2CFC NAD 4.4
185 5ICE SAH 4.49438
186 3P9C SAH 4.49438
187 4PIO AVI 4.49438
188 4PIO SAH 4.49438
189 2FR1 NDP 4.49438
190 3SJU NDP 4.49438
191 1YY5 FAD 4.49438
192 1RKX NAD 4.49438
193 2VVG ADP 4.49438
194 5NMX FAD 4.49438
195 5NMX NAP 4.49438
196 4D42 NAP 4.49438
197 4D42 W0I 4.49438
198 5J5Z FAD 4.49438
199 4OHU 2TK 4.49438
200 4OHU NAD 4.49438
201 4C3Y FAD 4.5283
202 1ZEM NAD 4.58015
203 4E70 N7I 4.63918
204 3LU1 NAD 4.67033
205 1XCL SAH 4.68085
206 2JAP NDP 4.8583
207 1UH4 GLC GLC GLC GLC GLC GLC 4.86891
208 3QVP FAD 4.86891
209 5EJ2 NAD 4.86891
210 2Q1W NAD 4.86891
211 2VVL FAD 4.86891
212 2VVM FAD 4.86891
213 1ORR NAD 4.86891
214 4D7E FAD 4.86891
215 5JCA FAD 4.92958
216 1E6W NAD 5
217 4IV9 FAD 5.24345
218 1AE1 NAP 5.24345
219 4FWE FAD 5.24345
220 4BJZ FAD 5.24345
221 4BJZ P3A 5.24345
222 4AP3 FAD 5.24345
223 4AP3 NAP 5.24345
224 2WET FAD 5.24345
225 5JWC FAD 5.24345
226 5ZIC BMA Z4Y NAG 5.24345
227 5DLY SAH 5.26316
228 5DLY 5D7 5.26316
229 3DXY SAM 5.50459
230 3RJ5 NAD 5.51181
231 1GY8 NAD 5.61798
232 2Q0L FAD 5.61798
233 5J60 FAD 5.61798
234 5K4W THR 5.61798
235 5K4W NAI 5.61798
236 4HSU FAD 5.64516
237 4GUS FAD 5.64516
238 4GUT FAD 5.64516
239 5EB4 FAD 5.99251
240 5BJX UDP 5.99251
241 5BJX NAD 5.99251
242 1I8T FAD 5.99251
243 3WGT FAD 5.99251
244 3WGT QSC 5.99251
245 2XT3 ADP 5.99251
246 2WPB ZZI 5.99251
247 5BQ5 ADP BEF 6.34921
248 4GLL NAD 6.36704
249 1E1M NAP 6.36704
250 1E1M FAD 6.36704
251 1GEE NAD 6.51341
252 4NBT NAD 6.66667
253 4MOP 2H5 6.74157
254 5BVA FAD 6.74157
255 3SJ7 NDP 6.74157
256 1XKQ NDP 6.74157
257 2Q7V FAD 6.74157
258 2BMB PMM 6.74157
259 3AD8 NAD 7.07071
260 3AD8 FAD 7.07071
261 3AD8 PYC 7.07071
262 4TM3 FAD 7.11611
263 4BV6 FAD 7.11611
264 3CTY FAD 7.11611
265 5CDH TLA 7.11611
266 5MBX FAD 7.11611
267 5MBX SP5 7.11611
268 3H4S ADP 7.40741
269 6ER9 FAD 7.49064
270 6ER9 NAP 7.49064
271 3UCL CYH 7.49064
272 3UCL FAD 7.49064
273 3UCL NAP 7.49064
274 5O42 9JW 7.49064
275 5O42 BGC 7.49064
276 5O42 NAD 7.49064
277 1KYZ FER 7.49064
278 4CNK FAD 7.49064
279 2CDU FAD 7.49064
280 4NTD FAD 7.49064
281 2EWM NAD 7.63052
282 1NFQ NAI 7.69231
283 2GN4 NDP 7.86517
284 5L4S 6KX 7.86517
285 5L4S NAP 7.86517
286 2GN4 UD1 7.86517
287 3HDY FDA 8.2397
288 3HDY GDU 8.2397
289 3HDY FAD 8.2397
290 5TSH ADP 8.2397
291 3GDN FAD 8.2397
292 3GDN HBX 8.2397
293 3GD4 FAD 8.2397
294 3GD4 NAD 8.2397
295 3ICT FAD 8.2397
296 3ICS FAD 8.2397
297 3ICR FAD 8.2397
298 4ZCC FAD 8.2397
299 2OBF SAH 8.61423
300 5YJI 8WO 8.61423
301 2OBF F83 8.61423
302 1GTE FAD 8.61423
303 4YRY FAD 8.61423
304 4O0L NDP 8.72727
305 3UOY FAD 8.98876
306 3UOY NAP 8.98876
307 1G0N NDP 8.98876
308 1G0N PHH 8.98876
309 1B0U ATP 9.16031
310 2CBZ ATP 9.2827
311 1UWK NAD 9.3633
312 1UWK URO 9.3633
313 1XHL NDP 9.3633
314 3CGD FAD 9.3633
315 3CGD NAD 9.3633
316 6GAR FAD 9.3633
317 3CGD COA 9.3633
318 2C5A NAD 9.3633
319 2C5A GDC 9.3633
320 2GDZ NAD 9.3633
321 1REO FAD 9.3633
322 3NUG NAD 9.7166
323 1KEW NAD 9.73783
324 5TCI MLI 9.73783
325 1D4D FAD 9.73783
326 2PZM NAD 9.73783
327 2PZM UDP 9.73783
328 1KEW TYD 9.73783
329 4HXY NDP 10.1124
330 5WGR FAD 10.1124
331 4YNU LGC 10.1124
332 4YNU FAD 10.1124
333 5OC1 FAD 10.1124
334 5VN0 FAD 10.4869
335 5VN0 NAI 10.4869
336 3ZNN FAD 10.4869
337 3ZNN 4WL 10.4869
338 1BZL FAD 10.8614
339 3X0V FAD 10.8614
340 1GZ6 NAI 10.8614
341 4NBU NAI 11.6
342 6BWL NAD 11.6105
343 4NBW NAD 11.6732
344 4D5G FAD 11.985
345 4D5G TPP 11.985
346 4USQ FAD 12.7341
347 1O5I NAD 13.6546
348 1E6E FAD 15.625
349 2F5Z FAD 15.625
350 4ZRN NAD 16.1049
351 4ZRN UPG 16.1049
352 1EFV AMP 16.4794
353 1EFV FAD 16.4794
354 1NNU TCT 18.3333
355 1NNU NAD 18.3333
356 2V7Q ADP 23.2877
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