Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GP3 A:4634;
Valid;
none;
submit data
788.406 C20 H27 N10 O18 P3 c1nc2...
SAM A:4633;
Valid;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
SO4 A:293;
A:294;
A:295;
A:296;
A:297;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
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: GP3; Similar ligands found: 148
No: Ligand ECFP6 Tc MDL keys Tc
1 GP3 1 1
2 GTP 0.921053 0.973684
3 GSP 0.897436 0.925
4 GDP 0.881579 0.973684
5 GNH 0.87013 0.961039
6 G1R 0.860759 0.961039
7 GCP 0.8375 0.948718
8 GNP 0.82716 0.948718
9 G 0.815789 0.960526
10 5GP 0.815789 0.960526
11 GTG 0.806818 0.962025
12 GMV 0.802469 0.948718
13 G2R 0.8 0.936709
14 G3A 0.797753 1
15 G5P 0.788889 1
16 GP2 0.765432 0.936709
17 GAV 0.764706 0.936709
18 Y9Z 0.755556 0.880952
19 GKE 0.755556 0.961538
20 GDD 0.755556 0.961538
21 GDC 0.755556 0.961538
22 GFB 0.747253 0.961538
23 GDR 0.747253 0.961538
24 GDP MG 0.746988 0.9
25 G2P 0.741176 0.936709
26 6CK 0.73913 0.9375
27 GDP BEF 0.738095 0.878049
28 GPG 0.730337 0.987013
29 GCP G 0.724138 0.911392
30 GKD 0.723404 0.961538
31 JB2 0.723404 0.961538
32 ALF 5GP 0.717647 0.86747
33 GPD 0.715789 0.925926
34 GDX 0.715789 0.974026
35 BEF GDP 0.712644 0.86747
36 GTP MG 0.712644 0.9
37 YGP 0.706522 0.902439
38 GDP ALF 0.688889 0.86747
39 GDP AF3 0.688889 0.86747
40 CAG 0.682692 0.904762
41 JB3 0.68 0.949367
42 0O2 0.673913 0.960526
43 NGD 0.673267 0.987013
44 GMP 0.671053 0.857143
45 2MD 0.653846 0.892857
46 G G 0.648936 0.961039
47 TPG 0.645455 0.842697
48 G3D 0.644444 0.960526
49 MGD 0.635514 0.892857
50 G4P 0.630435 0.960526
51 GDP 7MG 0.626263 0.936709
52 U2G 0.625 0.9375
53 FEG 0.625 0.903614
54 GH3 0.619565 0.948052
55 ZGP 0.619048 0.892857
56 CG2 0.613208 0.9375
57 PGD 0.612613 0.925926
58 MD1 0.612613 0.892857
59 3GP 0.6 0.922078
60 DGT 0.597826 0.9
61 DBG 0.587719 0.974359
62 FE9 0.575221 0.778947
63 6G0 0.569892 0.936709
64 G1G 0.566372 0.95
65 2GP 0.563218 0.935065
66 MGP 0.55914 0.936709
67 I2C FE2 CMO CMO 0.557522 0.811111
68 GPX 0.556701 0.922078
69 DGI 0.554348 0.9
70 G4M 0.552846 0.904762
71 IDP 0.549451 0.947368
72 U A G G 0.539823 0.961039
73 G A A A 0.530973 0.948718
74 GTA 0.528302 0.962025
75 BGO 0.522523 0.949367
76 G1R G1R 0.521008 0.949367
77 BA3 0.516854 0.921053
78 PGD O 0.516667 0.852273
79 P2G 0.516484 0.860759
80 AP5 0.511111 0.921053
81 B4P 0.511111 0.921053
82 GGM 0.508772 0.925926
83 DGP 0.505495 0.8875
84 DG 0.505495 0.8875
85 P1G 0.505376 0.85
86 G G U 0.5 0.961039
87 IMP 0.494505 0.934211
88 G2Q 0.490196 0.936709
89 AQP 0.489362 0.921053
90 5FA 0.489362 0.921053
91 GPC 0.483051 0.880952
92 G C 0.482759 0.901235
93 ATP 0.478723 0.921053
94 A2D 0.477778 0.921053
95 G7M 0.473118 0.924051
96 AGS 0.46875 0.875
97 SAP 0.46875 0.875
98 01G 0.46729 0.903614
99 A4P 0.46087 0.892857
100 G G G RPC 0.457627 0.9
101 APC G U 0.454545 0.911392
102 SGP 0.452632 0.807229
103 ITT 0.452632 0.87013
104 U G A 0.451128 0.91358
105 PCG 0.44898 0.934211
106 C2E 0.44898 0.947368
107 35G 0.44898 0.934211
108 UP5 0.447368 0.898734
109 G G G C 0.447154 0.9375
110 ADP 0.446809 0.921053
111 MGO 0.445545 0.843373
112 ANP 0.444444 0.897436
113 5GP 5GP 0.444444 0.909091
114 A G C C 0.443548 0.9125
115 AR6 0.443299 0.896104
116 APR 0.443299 0.896104
117 AN2 0.442105 0.909091
118 G U34 0.440678 0.890244
119 AD9 0.438776 0.897436
120 M33 0.4375 0.884615
121 ACP 0.43299 0.897436
122 ACQ 0.43 0.897436
123 G C C C 0.429688 0.925
124 A1R 0.428571 0.841463
125 7DT 0.428571 0.907895
126 T5A 0.428571 0.825581
127 DG DG 0.425926 0.890244
128 CA0 0.42268 0.897436
129 UCG 0.421875 0.9125
130 ATF 0.421569 0.886076
131 ADQ 0.415094 0.897436
132 MGQ 0.415094 0.961538
133 93A 0.412371 0.813953
134 A G U 0.411765 0.91358
135 6AD 0.411765 0.843373
136 A22 0.409524 0.934211
137 25L 0.409091 0.934211
138 ADX 0.408163 0.811765
139 AGO 0.406504 0.91358
140 AVV 0.40566 0.831325
141 50T 0.40404 0.884615
142 MGV 0.40367 0.914634
143 4TC 0.403361 0.876543
144 4AD 0.401869 0.875
145 RGT 0.401786 0.910256
146 CGP 0.401639 0.869048
147 JBT 0.4 0.8
148 PRX 0.4 0.82716
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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