Receptor
PDB id Resolution Class Description Source Keywords
3EMB 2.3 Å EC: 2.1.1.57 WESSELSBRON VIRUS METHYLTRANSFERASE IN COMPLEX WITH ADOMET A 7MEGPPPG WESSELSBRON VIRUS FLAVIVIRUS RNA CAPPING METHYLTRANSFERASE GUANYLYLTRANSFERVIRAL ENZYME STRUCTURE TRANSFERASE
Ref.: RECOGNITION OF RNA CAP IN THE WESSELSBRON VIRUS NS5 METHYLTRANSFERASE DOMAIN: IMPLICATIONS FOR RNA-CAPP MECHANISMS IN FLAVIVIRUS J.MOL.BIOL. V. 385 140 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTG A:4634;
Valid;
none;
submit data
803.44 C21 H30 N10 O18 P3 C[n+]...
SAM A:4633;
Valid;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
SO4 A:4635;
A:4636;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ELW 1.9 Å EC: 2.1.1.57 WESSELSBRON VIRUS METHYLTRANSFERASE IN COMPLEX WITH ADOMET A WESSELSBRON VIRUS FLAVIVIRUS RNA CAPPING METHYLTRANSFERASE GUANYLYLTRANSFERVIRAL ENZYME STRUCTURE TRANSFERASE
Ref.: RECOGNITION OF RNA CAP IN THE WESSELSBRON VIRUS NS5 METHYLTRANSFERASE DOMAIN: IMPLICATIONS FOR RNA-CAPP MECHANISMS IN FLAVIVIRUS J.MOL.BIOL. V. 385 140 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3ELU - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 3ELW - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 3EMD - SFG C15 H23 N7 O5 c1nc(c2c(n....
4 3ELD - SFG C15 H23 N7 O5 c1nc(c2c(n....
5 3ELY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3EMB - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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....
50% Homology Family (45)
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 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
21 5MRK - SFG C15 H23 N7 O5 c1nc(c2c(n....
22 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
23 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
24 3LKZ - SFG C15 H23 N7 O5 c1nc(c2c(n....
25 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
26 2PX5 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
27 2PXA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
28 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
29 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
30 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
31 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
32 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
33 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
34 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
35 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
36 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
37 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
38 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
39 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
40 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
41 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
42 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
43 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
44 3GCZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
45 2WA2 - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTG; Similar ligands found: 104
No: Ligand ECFP6 Tc MDL keys Tc
1 GTG 1 1
2 GP3 0.806818 0.962025
3 GDP 7MG 0.79798 0.974684
4 6G0 0.752688 0.974684
5 GTP 0.752688 0.936709
6 MGP 0.741935 0.974684
7 GSP 0.736842 0.891566
8 GDP 0.72043 0.936709
9 GNH 0.712766 0.925
10 G1R 0.708333 0.925
11 GCP 0.690722 0.91358
12 GTA 0.688679 1
13 GNP 0.683673 0.91358
14 G3A 0.669811 0.962025
15 G2R 0.666667 0.902439
16 G 0.666667 0.924051
17 5GP 0.666667 0.924051
18 G5P 0.663551 0.962025
19 GMV 0.663265 0.91358
20 G7M 0.655914 0.962025
21 Y9Z 0.650943 0.872093
22 GFB 0.64486 0.95
23 GDR 0.64486 0.95
24 GAV 0.637255 0.902439
25 GDC 0.635514 0.925926
26 GKE 0.635514 0.925926
27 GDD 0.635514 0.925926
28 GP2 0.632653 0.902439
29 GKD 0.627273 0.925926
30 JB2 0.627273 0.95
31 6CK 0.623853 0.903614
32 GPD 0.621622 0.915663
33 GDP MG 0.62 0.890244
34 G2P 0.617647 0.902439
35 NGD 0.617391 0.974684
36 GDP BEF 0.613861 0.869048
37 GPG 0.613208 0.95
38 YGP 0.611111 0.892857
39 GDX 0.607143 0.9375
40 GCP G 0.605769 0.901235
41 CAG 0.6 0.917647
42 ALF 5GP 0.598039 0.858824
43 GTP MG 0.596154 0.890244
44 BEF GDP 0.596154 0.858824
45 JB3 0.594828 0.938272
46 GDP AF3 0.579439 0.858824
47 GDP ALF 0.579439 0.858824
48 TPG 0.571429 0.855556
49 0O2 0.568807 0.924051
50 2MD 0.561983 0.862069
51 FEG 0.55 0.894118
52 G G 0.54955 0.949367
53 MGD 0.548387 0.862069
54 GMP 0.548387 0.825
55 ZGP 0.545455 0.883721
56 MD1 0.543307 0.862069
57 G3D 0.542056 0.924051
58 CG2 0.540984 0.903614
59 MG7 0.537634 0.8625
60 U2G 0.53719 0.903614
61 G4P 0.53211 0.924051
62 PGD 0.53125 0.892857
63 G1G 0.527559 0.9875
64 DBG 0.523077 0.938272
65 GH3 0.522936 0.9125
66 FE9 0.511628 0.791667
67 DGT 0.504587 0.86747
68 3GP 0.5 0.8875
69 G4M 0.496403 0.895349
70 I2C FE2 CMO CMO 0.496124 0.824176
71 GPX 0.486726 0.8875
72 BGO 0.47619 0.9625
73 2GP 0.471154 0.9
74 U A G G 0.469231 0.949367
75 MGO 0.468468 0.879518
76 DGI 0.46789 0.86747
77 G1R G1R 0.466667 0.938272
78 GGM 0.465116 0.939024
79 IDP 0.462963 0.911392
80 G A A A 0.461538 0.9375
81 PGD O 0.452555 0.844444
82 G G U 0.443548 0.949367
83 MGQ 0.439655 0.95
84 P2G 0.435185 0.829268
85 BA3 0.433962 0.886076
86 GPC 0.432836 0.850575
87 B4P 0.429907 0.886076
88 AP5 0.429907 0.886076
89 MGV 0.428571 0.904762
90 P1G 0.427273 0.819277
91 DGP 0.425926 0.855422
92 DG 0.425926 0.855422
93 G C 0.421053 0.891566
94 G2Q 0.420168 0.902439
95 IMP 0.416667 0.898734
96 01G 0.414634 0.872093
97 5FA 0.414414 0.886076
98 AQP 0.414414 0.886076
99 A4P 0.412214 0.862069
100 ATP 0.405405 0.886076
101 G G G C 0.402878 0.926829
102 A2D 0.401869 0.886076
103 G G G RPC 0.4 0.890244
104 U G A 0.4 0.903614
Ligand no: 2; Ligand: SAM; Similar ligands found: 192
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 XYA 0.565789 0.773333
9 ADN 0.565789 0.773333
10 RAB 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 AMP MG 0.511364 0.710843
25 5AL 0.510417 0.743902
26 VMS 0.510204 0.673913
27 54H 0.510204 0.673913
28 0UM 0.51 0.857143
29 A 0.505747 0.707317
30 AMP 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 DAL AMP 0.50505 0.765432
34 NVA LMS 0.504951 0.725275
35 K15 0.5 0.883117
36 6RE 0.5 0.78481
37 5AD 0.5 0.75
38 SSA 0.5 0.684783
39 SON 0.5 0.746988
40 SRP 0.5 0.746988
41 LSS 0.49505 0.706522
42 CA0 0.494624 0.714286
43 A12 0.494505 0.705882
44 AP2 0.494505 0.705882
45 ME8 0.490385 0.841463
46 5CA 0.49 0.684783
47 TSB 0.49 0.681319
48 53H 0.49 0.666667
49 ACP 0.489362 0.694118
50 5AS 0.48913 0.648936
51 ADP 0.48913 0.690476
52 A2D 0.488889 0.690476
53 J7C 0.488889 0.772152
54 ZAS 0.488636 0.769231
55 8QN 0.485149 0.743902
56 GAP 0.484536 0.73494
57 AN2 0.483871 0.682353
58 A3S 0.483871 0.813333
59 A7D 0.483871 0.851351
60 GJV 0.483516 0.775
61 SRA 0.483146 0.694118
62 LAD 0.480769 0.752941
63 KAA 0.480769 0.698925
64 GSU 0.480769 0.722222
65 AMO 0.480392 0.746988
66 DSZ 0.480392 0.703297
67 52H 0.48 0.666667
68 ADP MG 0.478723 0.702381
69 M33 0.478723 0.722892
70 MAO 0.478261 0.82716
71 BA3 0.478261 0.690476
72 AOC 0.477778 0.776316
73 DSH 0.477778 0.842105
74 NEC 0.477778 0.75
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 Y3J 0.47561 0.706667
78 G5A 0.474227 0.684783
79 A3T 0.473684 0.8
80 ADP BEF 0.473684 0.686047
81 BEF ADP 0.473684 0.686047
82 B4P 0.473118 0.690476
83 AP5 0.473118 0.690476
84 A3N 0.472527 0.766234
85 KB1 0.471698 0.833333
86 LEU LMS 0.471154 0.706522
87 APC 0.46875 0.705882
88 PRX 0.46875 0.73494
89 PAJ 0.466019 0.712644
90 4AD 0.466019 0.759036
91 RBY 0.463918 0.72619
92 ADP PO3 0.463918 0.728395
93 ADV 0.463918 0.72619
94 ADX 0.463158 0.666667
95 MHZ 0.463158 0.82716
96 AU1 0.463158 0.674419
97 YAP 0.462963 0.738095
98 TXA 0.462264 0.72619
99 NB8 0.462264 0.72093
100 A3G 0.461538 0.802632
101 VRT 0.459184 0.842105
102 ATP MG 0.459184 0.702381
103 YSA 0.458716 0.684783
104 XAH 0.458716 0.715909
105 50T 0.458333 0.682353
106 ATP 0.458333 0.690476
107 7D7 0.45679 0.723684
108 ANP MG 0.455446 0.678161
109 KH3 0.455357 0.871795
110 ACQ 0.454545 0.694118
111 AQP 0.453608 0.690476
112 5FA 0.453608 0.690476
113 AR6 0.453608 0.710843
114 APR 0.453608 0.710843
115 NSS 0.451923 0.703297
116 FA5 0.449541 0.746988
117 AGS 0.44898 0.678161
118 SAP 0.44898 0.678161
119 A5D 0.44898 0.789474
120 AD9 0.44898 0.674419
121 PTJ 0.448598 0.72093
122 YLB 0.448276 0.758621
123 YLP 0.447368 0.738636
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 TYR AMP 0.445455 0.746988
128 MYR AMP 0.444444 0.776471
129 3AM 0.444444 0.674699
130 OAD 0.443396 0.73494
131 2VA 0.443299 0.779221
132 OOB 0.442308 0.722892
133 S8M 0.442308 0.831169
134 ADP VO4 0.441176 0.702381
135 VO4 ADP 0.441176 0.702381
136 ANP 0.44 0.674419
137 TAT 0.44 0.686047
138 WAQ 0.439252 0.75
139 ARG AMP 0.438596 0.727273
140 YLC 0.435897 0.755814
141 AAT 0.435644 0.797468
142 3OD 0.435185 0.73494
143 1ZZ 0.435185 0.755814
144 NVA 2AD 0.434343 0.815789
145 DLL 0.433962 0.722892
146 00A 0.433962 0.689655
147 7MD 0.433628 0.715909
148 ATF 0.431373 0.666667
149 SO8 0.43 0.792208
150 3UK 0.429907 0.714286
151 A6D 0.429907 0.72619
152 5SV 0.428571 0.741176
153 AMP DBH 0.428571 0.714286
154 WSA 0.42735 0.692308
155 TYM 0.42735 0.746988
156 9SN 0.427273 0.681818
157 AHZ 0.426087 0.755814
158 A A 0.425926 0.710843
159 3NZ 0.425926 0.807692
160 P5A 0.425926 0.691489
161 PR8 0.425926 0.744186
162 A1R 0.424528 0.709302
163 2A5 0.424242 0.674419
164 7MC 0.423729 0.719101
165 7D5 0.422222 0.658824
166 FYA 0.422018 0.722892
167 JB6 0.422018 0.709302
168 AYB 0.421488 0.75
169 PLP AAD 0.419355 0.764045
170 A22 0.419048 0.682353
171 MAP 0.419048 0.659091
172 2AM 0.417582 0.666667
173 TAD 0.417391 0.712644
174 A3P 0.416667 0.686747
175 ADP BMA 0.416667 0.714286
176 25A 0.415094 0.690476
177 YLA 0.413223 0.719101
178 ADQ 0.411215 0.694118
179 48N 0.410256 0.72093
180 0XU 0.41 0.824324
181 NAD IBO 0.406504 0.717647
182 7D3 0.40625 0.643678
183 PAP 0.405941 0.678571
184 OVE 0.404255 0.662791
185 4UV 0.403509 0.697674
186 ALF ADP 3PG 0.403361 0.712644
187 AF3 ADP 3PG 0.403361 0.712644
188 LA8 ALF 3PG 0.403361 0.712644
189 3AD 0.402299 0.783784
190 CMP 0.402062 0.691358
191 2BA 0.402062 0.682927
192 7C5 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ELW; Ligand: SAM; Similar sites found: 89
This union binding pocket(no: 1) in the query (biounit: 3elw.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3A27 SAM 0.0002959 0.49246 2.20588
2 3A25 SAM 0.003377 0.44283 2.33333
3 4UCI SAM 0.000001295 0.42569 2.33333
4 1W73 NAP 0.01168 0.40331 2.33333
5 1G55 SAH 0.000002355 0.58451 2.66667
6 3G2O SAM 0.00003545 0.53568 2.67559
7 3DMH SAM 0.0001941 0.49188 3
8 3DMH GMP 0.0008212 0.44304 3
9 4IEE AGS 0.03405 0.4147 3
10 3G89 SAM 0.0001088 0.52912 3.21285
11 5E8J SAH 0.00003151 0.55598 3.33333
12 3M6W SAM 0.0002732 0.50389 3.33333
13 1C3V PDC 0.03205 0.42085 3.33333
14 1ZMD NAI 0.006315 0.41208 3.33333
15 3EGI ADP 0.001235 0.49791 3.39806
16 4DMG SAM 0.0002892 0.51351 3.66667
17 3VYW SAM 0.0002006 0.49123 3.66667
18 3S1S SAH 0.0005553 0.4636 3.66667
19 1GOJ ADP 0.03036 0.42259 3.66667
20 5THY SAH 0.00001228 0.40727 3.66667
21 5THZ SAH 0.00003855 0.40427 3.66667
22 3OFK SAH 0.01523 0.40347 3.7037
23 4BQS ADP 0.04042 0.41449 3.97727
24 2JJQ SAH 0.00001251 0.57598 4
25 2O07 MTA 0.001699 0.43019 4
26 2O07 SPD 0.001344 0.42869 4
27 4YUW 4JU 0.005927 0.41361 4
28 4YUW S4M 0.006061 0.4128 4
29 3MB5 SAM 0.000003038 0.4296 4.31373
30 1Y8Q ATP 0.003342 0.42662 4.33333
31 1LVL NAD 0.009146 0.41625 4.33333
32 4X60 SFG 0.0007872 0.41515 4.33333
33 4X60 3XV 0.0007186 0.4143 4.33333
34 2IF8 ADP 0.04334 0.4128 4.40771
35 5JE0 AZ8 0.0001888 0.40256 4.45344
36 5JE0 SAH 0.0001888 0.40256 4.45344
37 2VDV SAM 0.00001847 0.56755 4.47154
38 3OU2 SAH 0.000204 0.4748 4.58716
39 4A6D SAM 0.0003482 0.48468 4.66667
40 3GXO SAH 0.001568 0.46681 4.66667
41 4QTU SAM 0.000008709 0.55838 4.80769
42 1QAN SAH 0.00002832 0.40108 4.91803
43 4FZV SAM 0.000001874 0.41872 5
44 3LRE ADP 0.04226 0.41168 5
45 4E70 N7I 0.004346 0.4086 5
46 3DXY SAM 0.001117 0.48358 5.04587
47 1JQD HSM 0.006322 0.40945 5.13699
48 1JQD SAH 0.00439 0.40843 5.13699
49 1R18 SAH 0.00002214 0.40061 5.28634
50 3LST SAH 0.0002486 0.51122 5.33333
51 1XDS SAM 0.0002586 0.51037 5.33333
52 3TLJ SAH 0.000009828 0.53987 5.66667
53 1Z45 NAD 0.004101 0.40959 5.66667
54 4Q3F TLA 0.03085 0.41549 5.98291
55 3VC1 GST 0.0004871 0.42004 6
56 3VC1 SAH 0.0004871 0.41527 6
57 1EJ0 SAM 0.00000007877 0.44431 6.11111
58 4OBW SAM 0.001309 0.46216 6.22568
59 4M73 M72 0.0007807 0.40093 6.33333
60 1I9G SAM 0.00001878 0.40223 6.42857
61 4RDH AMP 0.03334 0.40162 6.59722
62 5DXA SFG 0.0004922 0.46588 7
63 3FZG SAM 0.00461 0.4439 8
64 1N2X SAM 0.00001337 0.41082 8
65 1IM8 SAI 0.0000592 0.51516 8.33333
66 2EWM NAD 0.002945 0.4128 8.43373
67 5XVQ SAH 0.001232 0.44853 8.4507
68 4NEC SAH 0.0000187 0.56076 8.71212
69 4F8L AES 0.04587 0.41625 8.96552
70 1KPG SAH 0.001095 0.45428 9.05923
71 2I7C AAT 0.002227 0.41263 9.18728
72 2EG5 SAH 0.0000349 0.55376 9.33333
73 1MZV AMP 0.03879 0.408 9.78723
74 3U31 NAD 0.004492 0.42707 10
75 1DL5 SAH 0.00004271 0.40476 11.3333
76 1L3I SAH 0.00002907 0.41228 11.4583
77 5HJM MTA 0.00002549 0.53692 12.3333
78 3MAG 3MA 0.0142 0.43105 12.3333
79 1I1N SAH 0.00008073 0.40338 12.3894
80 3GDH SAH 0.0000007555 0.5826 12.4481
81 1WG8 SAM 0.0000297 0.40481 12.9825
82 2FK8 SAM 0.001197 0.4562 16
83 3EGV SAH 0.001226 0.46765 16.1417
84 2NXE SAM 0.00104 0.46684 16.1417
85 2PWY SAH 0.00000811 0.4179 17.4419
86 3A4T SFG 0.00001644 0.40369 17.5182
87 1JQ3 AAT 0.002264 0.41237 21.9595
88 4M38 SAH 0.0001584 0.49586 23.8095
89 1JG3 ADN 0.001156 0.46469 36.5957
Pocket No.: 2; Query (leader) PDB : 3ELW; Ligand: GP3; Similar sites found: 78
This union binding pocket(no: 2) in the query (biounit: 3elw.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3A27 SAM 0.0003127 0.49246 2.20588
2 3A25 SAM 0.003544 0.44283 2.33333
3 4UCI SAM 0.00000176 0.41755 2.33333
4 1W73 NAP 0.008805 0.40951 2.33333
5 1G55 SAH 0.000002527 0.58451 2.66667
6 3G2O SAM 0.0000377 0.53568 2.67559
7 3DMH SAM 0.0002182 0.49073 3
8 3DMH GMP 0.0008921 0.44264 3
9 4IEE AGS 0.03893 0.41238 3
10 3G89 SAM 0.0001149 0.52912 3.21285
11 5E8J SAH 0.00003339 0.55598 3.33333
12 3M6W SAM 0.0002881 0.50389 3.33333
13 1C3V PDC 0.03541 0.41913 3.33333
14 1ZMD NAI 0.006635 0.41212 3.33333
15 3EGI ADP 0.00129 0.49791 3.39806
16 4DMG SAM 0.0003067 0.51334 3.66667
17 3VYW SAM 0.0002127 0.49123 3.66667
18 3S1S SAH 0.000599 0.46325 3.66667
19 5THY SAH 0.00001313 0.40297 3.66667
20 2Q8H TF4 0.04155 0.4007 3.66667
21 3OFK SAH 0.01788 0.40124 3.7037
22 4BQS ADP 0.04184 0.41449 3.97727
23 2JJQ SAH 0.00001329 0.57598 4
24 2O07 MTA 0.00154 0.43295 4
25 2O07 SPD 0.001428 0.42869 4
26 4YUW S4M 0.006432 0.41014 4
27 4YUW 4JU 0.006606 0.41014 4
28 3MB5 SAM 0.00000327 0.42478 4.31373
29 1Y8Q ATP 0.003524 0.42662 4.33333
30 1LVL NAD 0.009698 0.41602 4.33333
31 4X60 SFG 0.0008494 0.41508 4.33333
32 4X60 3XV 0.0007955 0.41387 4.33333
33 2VDV SAM 0.0000196 0.56755 4.47154
34 3OU2 SAH 0.0003178 0.46784 4.58716
35 4A6D SAM 0.0003988 0.48308 4.66667
36 3GXO SAH 0.001645 0.46681 4.66667
37 4QTU SAM 0.00001081 0.55539 4.80769
38 4FZV SAM 0.000002015 0.41385 5
39 4E70 N7I 0.00488 0.40758 5
40 3DXY SAM 0.001171 0.48358 5.04587
41 1JQD HSM 0.006663 0.40945 5.13699
42 1JQD SAH 0.005074 0.40691 5.13699
43 3LST SAH 0.000262 0.51122 5.33333
44 1XDS SAM 0.0002912 0.50893 5.33333
45 3TLJ SAH 0.00001054 0.53987 5.66667
46 1Z45 NAD 0.005387 0.40588 5.66667
47 4Q3F TLA 0.03181 0.41549 5.98291
48 3VC1 GST 0.0008541 0.41282 6
49 3VC1 SAH 0.0008541 0.40369 6
50 1EJ0 SAM 0.00000008524 0.43894 6.11111
51 4OBW SAM 0.001378 0.46216 6.22568
52 4RDH AMP 0.03468 0.40162 6.59722
53 4QVH FLC 0.04011 0.4112 6.66667
54 5DXA SFG 0.0006614 0.46137 7
55 3FZG SAM 0.004824 0.4439 8
56 1N2X SAM 0.00001653 0.40427 8
57 1IM8 SAI 0.00008109 0.5102 8.33333
58 2EWM NAD 0.003123 0.4128 8.43373
59 5XVQ SAH 0.001735 0.44308 8.4507
60 4NEC SAH 0.00002758 0.55379 8.71212
61 4F8L AES 0.04729 0.41625 8.96552
62 1KPG SAH 0.001378 0.45089 9.05923
63 2I7C AAT 0.002315 0.41301 9.18728
64 2EG5 SAH 0.00003698 0.55376 9.33333
65 1MZV AMP 0.0395 0.40842 9.78723
66 3U31 NAD 0.004685 0.42723 10
67 2W58 ADP 0.02446 0.43318 10.396
68 1DL5 SAH 0.00004735 0.40037 11.3333
69 1L3I SAH 0.00003295 0.40688 11.4583
70 5HJM MTA 0.00002925 0.53544 12.3333
71 3GDH SAH 0.000000818 0.5826 12.4481
72 2FK8 SAM 0.001293 0.45574 16
73 3EGV SAH 0.001289 0.46765 16.1417
74 2NXE SAM 0.001095 0.46684 16.1417
75 2PWY SAH 0.00000777 0.4148 17.4419
76 1JQ3 AAT 0.002835 0.40969 21.9595
77 4M38 SAH 0.0001681 0.49586 23.8095
78 1JG3 ADN 0.001217 0.46468 36.5957
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