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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 (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: GTG; Similar ligands found: 107
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 GTP 0.752688 0.936709
5 6G0 0.752688 0.974684
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 9GM 0.683673 0.91358
14 GNP 0.683673 0.91358
15 G3A 0.669811 0.962025
16 G2R 0.666667 0.902439
17 5GP 0.666667 0.924051
18 G 0.666667 0.924051
19 G5P 0.663551 0.962025
20 GMV 0.663265 0.91358
21 G7M 0.655914 0.962025
22 Y9Z 0.650943 0.872093
23 GDR 0.64486 0.95
24 GFB 0.64486 0.95
25 GAV 0.637255 0.902439
26 GKE 0.635514 0.925926
27 GDD 0.635514 0.925926
28 GDC 0.635514 0.925926
29 GP2 0.632653 0.902439
30 JB2 0.627273 0.95
31 GKD 0.627273 0.925926
32 6CK 0.623853 0.903614
33 GPD 0.621622 0.915663
34 G2P 0.617647 0.902439
35 NGD 0.617391 0.974684
36 GPG 0.613208 0.95
37 YGP 0.611111 0.892857
38 GDX 0.607143 0.9375
39 CAG 0.6 0.917647
40 ALF 5GP 0.598039 0.858824
41 JB3 0.594828 0.938272
42 ALF GDP 0.579439 0.858824
43 GDP ALF 0.579439 0.858824
44 GDP AF3 0.579439 0.858824
45 TPG 0.571429 0.855556
46 0O2 0.568807 0.924051
47 2MD 0.561983 0.862069
48 FEG 0.55 0.894118
49 MGD 0.548387 0.862069
50 GMP 0.548387 0.825
51 ZGP 0.545455 0.883721
52 G G 0.54386 0.962025
53 MD1 0.543307 0.862069
54 G3D 0.542056 0.924051
55 CG2 0.540984 0.903614
56 MG7 0.537634 0.8625
57 U2G 0.53719 0.903614
58 G4P 0.53211 0.924051
59 PGD 0.53125 0.892857
60 G1G 0.527559 0.9875
61 AKW 0.52459 0.951219
62 DBG 0.523077 0.938272
63 GH3 0.522936 0.9125
64 FE9 0.511628 0.791667
65 DGT 0.504587 0.86747
66 3GP 0.5 0.8875
67 G4M 0.496403 0.895349
68 GPX 0.486726 0.8875
69 GCP G 0.482759 0.8875
70 BGO 0.47619 0.9625
71 A G 0.472868 0.949367
72 AJQ 0.472441 0.951219
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 R7I 0.459459 0.8875
82 R5I 0.459459 0.8875
83 PGD O 0.452555 0.844444
84 MGQ 0.439655 0.95
85 P2G 0.435185 0.829268
86 BA3 0.433962 0.886076
87 GPC 0.432836 0.850575
88 AP5 0.429907 0.886076
89 B4P 0.429907 0.886076
90 MGV 0.428571 0.904762
91 G U 0.427481 0.891566
92 P1G 0.427273 0.819277
93 DGP 0.425926 0.855422
94 DG 0.425926 0.855422
95 G C 0.421053 0.891566
96 G2Q 0.420168 0.902439
97 IMP 0.416667 0.898734
98 01G 0.414634 0.872093
99 AQP 0.414414 0.886076
100 5FA 0.414414 0.886076
101 A4P 0.412214 0.862069
102 HFD 0.40708 0.843373
103 HEJ 0.405405 0.886076
104 ATP 0.405405 0.886076
105 G G G C 0.402878 0.926829
106 A2D 0.401869 0.886076
107 G G G RPC 0.4 0.890244
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ELW; Ligand: SAM; Similar sites found with APoc: 363
This union binding pocket(no: 1) in the query (biounit: 3elw.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 3U4C NDP 1.06762
2 5KVA SAM 1.07914
3 5FTW SAH 1.17188
4 5F90 LMR 1.28205
5 5F2K OCA 1.33333
6 5F2K SAH 1.33333
7 6DNT NAD 1.66667
8 4BLW SAH 1.7301
9 4BLW AMP 1.7301
10 6C74 PC 1.8018
11 3QOX SAH 2
12 1PJS NAD 2
13 1W5T ADP 2
14 5MW4 5JU 2
15 1P31 EPU 2
16 1NV8 MEQ 2.11268
17 1NV8 SAM 2.11268
18 3QPB URA 2.12766
19 3A27 SAM 2.20588
20 5N5D SAM 2.21239
21 2JBH 5GP 2.22222
22 1ZGA SAH 2.2409
23 1Q0S SAH 2.3166
24 2ZFU SAH 2.32558
25 4UCI SAM 2.33333
26 3VSE SAH 2.33333
27 5W7M SAH 2.33333
28 6C5B SAH 2.33333
29 3A25 SAM 2.33333
30 2AWN ADP 2.33333
31 2ZWA SAH 2.33333
32 3TK1 GDP 2.33333
33 1W8D NAP 2.33333
34 3COB ADP 2.33333
35 1SQF SAM 2.33333
36 3C6K SPD 2.33333
37 3C6K MTA 2.33333
38 4PIO AVI 2.33333
39 1W73 NAP 2.33333
40 4PIO SAH 2.33333
41 3Q85 GNP 2.36686
42 5JGL SAM 2.42215
43 1T57 FMN 2.42718
44 3GU3 SAH 2.46479
45 5E1M PRO PRO LYS ARG ILE ALA 2.48963
46 5E1M SAH 2.48963
47 2PK3 A2R 2.49221
48 5E72 SAM 2.66667
49 5W7K SAH 2.66667
50 1QZZ SAM 2.66667
51 2JHP SAH 2.66667
52 3P2E SAH 2.66667
53 1RJD SAM 2.66667
54 1G55 SAH 2.66667
55 1W6U NAP 2.66667
56 4FRZ ADP 2.66667
57 2YX1 SFG 2.66667
58 2O1V ADP 2.66667
59 5I34 GDP 2.66667
60 3G2O SAM 2.67559
61 4MCC 21X 2.84553
62 3BXO SAM 2.92887
63 5UFN SAH 2.94118
64 2BOS GLA GAL GLC 2.94118
65 2BOS GLA GAL GLC NBU 2.94118
66 1FP1 SAH 2.95699
67 5MGZ SAH 2.9661
68 3T7S SAM 2.98507
69 5DNK SAH 3
70 1YXM ADE 3
71 3DMH SAM 3
72 3DMH GMP 3
73 2IZ1 ATR 3
74 1GY8 NAD 3
75 3PT9 SAH 3
76 4IEE AGS 3
77 2C9O ADP 3
78 1CT9 GLN 3
79 5MB4 NAG 3
80 4GLW NMN 3
81 5MPT SAH 3
82 5ZBR ANP 3
83 4C4A SAH 3
84 5M58 SAH 3.04348
85 1JJ7 ADP 3.07692
86 3G89 SAM 3.21285
87 3GEG NAD 3.23887
88 5CGE 51F 3.2491
89 4JLS 3ZE 3.28947
90 1UAY ADN 3.30579
91 5E8J SAH 3.33333
92 5E9W SAH 3.33333
93 4KRG SAH 3.33333
94 3M6W SAM 3.33333
95 3X0D SAH 3.33333
96 4DCM SAM 3.33333
97 4YMH SAH 3.33333
98 1C3V PDC 3.33333
99 4TQG NDP 3.33333
100 4EUE NAI 3.33333
101 3SSO SAH 3.33333
102 5U32 GDP 3.38983
103 3EGI ADP 3.39806
104 2BQP GLC 3.4188
105 3H8V ATP 3.42466
106 4IWN GEK 3.49345
107 2DPM SAM 3.52113
108 3DUW SAH 3.58744
109 5THY SAH 3.66667
110 4DMG SAM 3.66667
111 5THZ SAH 3.66667
112 5X62 SAH 3.66667
113 3VYW SAM 3.66667
114 4Y9D NAI 3.66667
115 3S1S SAH 3.66667
116 5FWA J7C 3.66667
117 3HQP OXL 3.66667
118 1GOJ ADP 3.66667
119 5D9X GSH 3.66667
120 5XNC MTA 3.66667
121 3KC1 2T6 3.66667
122 3WV8 ATP 3.66972
123 4U00 ADP 3.68852
124 5BQ5 ADP BEF 3.7037
125 3OFK SAH 3.7037
126 3GRU AMP 3.72881
127 3CBG SAH 3.87931
128 4BQS ADP 3.97727
129 2JJQ SAH 4
130 4YUW 4JU 4
131 1RJW ETF 4
132 2O07 MTA 4
133 4YUW S4M 4
134 1TZD ADP 4
135 1V8K ANP 4
136 1UH4 GLC GLC GLC GLC GLC GLC 4
137 2O07 SPD 4
138 5CDH TLA 4
139 1KYQ NAD 4.0146
140 4RZ3 ADP 4.0678
141 3HVJ 705 4.0724
142 1O5O U5P 4.0724
143 3O7W SAM 4.08163
144 3Q72 GNP 4.21687
145 4R6W SAH 4.26357
146 1LSS NAD 4.28571
147 3MB5 SAM 4.31373
148 1FP2 SAH 4.33333
149 6C8R SAH 4.33333
150 4PNE SAH 4.33333
151 3RKR NAP 4.33333
152 1KYZ SAH 4.33333
153 5YF1 SFG 4.33333
154 5W7R SAH 4.33333
155 1Y8Q ATP 4.33333
156 3L9W AMP 4.33333
157 5YF1 8V0 4.33333
158 3L9W GSH 4.33333
159 1LVL NAD 4.33333
160 4X60 SFG 4.33333
161 4X60 3XV 4.33333
162 1KYZ FER 4.33333
163 1X87 NAD 4.33333
164 4XUC 43G 4.33333
165 4XUC SAM 4.33333
166 6C8R EQV 4.33333
167 4NBW NAD 4.33333
168 5BSZ SAH 4.4
169 2IF8 ADP 4.40771
170 5K7U SAM 4.44444
171 5JE0 SAH 4.45344
172 5JE0 AZ8 4.45344
173 2VDV SAM 4.47154
174 3MQ2 SAH 4.58716
175 3OU2 SAH 4.58716
176 1OFH ADP 4.5977
177 3JWH SAH 4.60829
178 3LCV SAM 4.62633
179 3C3Y SAH 4.64135
180 6ECU SAH 4.66667
181 3TKA SAM 4.66667
182 3GWZ SAH 4.66667
183 4A6D SAM 4.66667
184 3GXO SAH 4.66667
185 1WPQ 13P 4.66667
186 6ECW SAH 4.66667
187 1OHE ACE ALA SEP PRO 4.66667
188 3L6R MLI 4.66667
189 5WS9 AMP 4.66667
190 3LCC SAH 4.68085
191 2CJW GDP 4.6875
192 5GM1 SAH 4.7138
193 5IL1 SAM 4.71698
194 4QTU SAM 4.80769
195 5BW4 SAM 4.86891
196 1QAN SAH 4.91803
197 4FZV SAM 5
198 4ONQ SFG 5
199 6D6Y SAH 5
200 6ECT SAM 5
201 1U2Z SAH 5
202 5ERG SAM 5
203 3LRE ADP 5
204 3A4M ADP 5
205 4E70 N7I 5
206 3DXY SAM 5.04587
207 2PXX SAH 5.11628
208 1XTP SAI 5.11811
209 2AOT SAH 5.13699
210 1JQD HSM 5.13699
211 1JQD SAH 5.13699
212 2HT6 GDP 5.17241
213 1R18 SAH 5.28634
214 2A14 SAH 5.32319
215 2UYQ SAM 5.33333
216 3LST SAH 5.33333
217 1XDS SAM 5.33333
218 5F8F SFG 5.33333
219 6BQ6 TER 5.33333
220 3P9C SAH 5.33333
221 2CDU ADP 5.33333
222 5XLX SAH 5.33333
223 4II2 ATP 5.52147
224 2BZG SAH 5.60345
225 3TKY SAH 5.66667
226 3BGD SAH 5.66667
227 3TLJ SAH 5.66667
228 3BGD PM6 5.66667
229 2XT3 ADP 5.66667
230 5JE8 NAD 5.66667
231 1Z45 NAD 5.66667
232 4CQM NAP 5.74713
233 2PIE GLU LEU LYS TPO GLU ARG TYR 5.7971
234 4KIB SAH 6
235 4LWP SAH 6
236 4KRI SAH 6
237 3VC1 SAH 6
238 3VC1 GST 6
239 1WVG APR 6
240 2ZIF SAM 6.06061
241 1EJ0 SAM 6.11111
242 3IIJ ADP 6.11111
243 4OBW SAM 6.22568
244 1L1E SAH 6.27178
245 1KPH SAH 6.27178
246 4M73 M72 6.33333
247 4M73 SAH 6.33333
248 1I9G SAM 6.42857
249 1UZN NAP 6.47773
250 2XVM SAH 6.53266
251 2Q28 ADP 6.56028
252 4RDH AMP 6.59722
253 1VE3 SAM 6.60793
254 5OVK NDP 6.64062
255 6FDF SAH 6.66667
256 3K56 IS3 6.66667
257 2HNK SAH 6.69456
258 6B92 SAH 6.80272
259 3THR C2F 6.82594
260 1ZEM NAD 6.87023
261 3H2B SAH 6.89655
262 5KOK SAH 7
263 5DX8 SFG 7
264 5DXA SFG 7
265 5DX1 SFG 7
266 5DX0 SFG 7
267 5DWQ SFG 7
268 5KOK R9T 7
269 5KOK S9T 7
270 6ARJ BW4 7
271 6ARJ SAH 7
272 6DUB SAH 7.20721
273 3I53 SAH 7.22892
274 5GVR LMR 7.26496
275 1R6B ADP 7.33333
276 4FCW ADP 7.33333
277 2VT3 ATP 7.44186
278 5L95 AMP 7.5
279 3V0H I3P 7.66667
280 6F5Z SAH 7.79221
281 5DM1 5D7 7.86517
282 5DM1 SAH 7.86517
283 4CS9 AMP 7.93651
284 6GFK SAH 7.96813
285 1N2X SAM 8
286 5ZW3 SAH 8
287 3FZG SAM 8
288 4POO SAM 8
289 5YJI 8WO 8
290 5YJI SAH 8
291 5EEH SAH 8
292 5EEH P9P 8
293 5FA8 SAM 8.07453
294 2PT9 S4M 8.09969
295 2PT9 2MH 8.09969
296 1IM8 SAI 8.33333
297 2EJU SAH 8.33333
298 1V59 NAD 8.33333
299 2EWM NAD 8.43373
300 2XYQ SAH 8.62069
301 1Z0A GDP 8.62069
302 4IHQ ADP 8.66667
303 4NEC SAH 8.71212
304 5YJF 8WO 8.80282
305 5YJF SAH 8.80282
306 4F8L AES 8.96552
307 5LOG SAH 9
308 4AZW SAM 9
309 2HMT NAI 9.02778
310 1KPG SAH 9.05923
311 2I7C AAT 9.18728
312 2EG5 SAH 9.33333
313 1G60 SAM 9.61539
314 2EFJ SAH 9.66667
315 6GKV SAH 9.66667
316 4LHD GLY 9.66667
317 1MZV AMP 9.78723
318 3U31 NAD 10
319 1O5I NAD 10.0402
320 5VJN IR8 10.1604
321 1ZQ9 SAM 10.1754
322 2WHX ADP 10.3333
323 2W58 ADP 10.396
324 5WP4 SAH 11
325 1QB7 ADE 11.0169
326 1DL5 SAH 11.3333
327 4Y30 SAH 11.3333
328 1L3I SAH 11.4583
329 1F3L SAH 11.6667
330 1GZ6 NAI 11.6667
331 3FGZ BEF 11.7188
332 1SAZ ACP 12
333 5Z2F PDC 12.0755
334 1Z3C SA8 12.0805
335 2BGM NAJ 12.2302
336 3MAG SAH 12.3333
337 5HJM MTA 12.3333
338 1I1N SAH 12.3894
339 3GDH SAH 12.4481
340 3MCT SAH 12.4579
341 1WG8 SAM 12.9825
342 4YAC NAI 13.468
343 5WP5 SAH 13.6667
344 5U19 SAH 14.3333
345 5U19 827 14.3333
346 1TPY SAH 14.9826
347 5FUB SAH 15
348 1P1C SAH 15.0754
349 3FUU ADN 15.1292
350 3Q87 SAM 15.2941
351 2FK8 SAM 16
352 2NXE SAM 16.1417
353 4M37 SAH 16.3333
354 3FRH SAH 17.3913
355 2PWY SAH 17.4419
356 3A4T SFG 17.5182
357 1NW5 SAM 18.6667
358 1WY7 SAH 19.3237
359 1JQ3 AAT 21.9595
360 4GQB 0XU 22.7273
361 4M38 SAH 23.8095
362 5FA5 MTA 25
363 1JG3 ADN 36.5957
Pocket No.: 2; Query (leader) PDB : 3ELW; Ligand: GP3; Similar sites found with APoc: 349
This union binding pocket(no: 2) in the query (biounit: 3elw.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 3U4C NDP 1.06762
2 5KVA SAM 1.07914
3 5FTW SAH 1.17188
4 5F90 LMR 1.28205
5 6DNT NAD 1.66667
6 4BLW SAH 1.7301
7 4BLW AMP 1.7301
8 6C74 PC 1.8018
9 3QOX SAH 2
10 1PJS NAD 2
11 1W5T ADP 2
12 5MW4 5JU 2
13 1P31 EPU 2
14 1NV8 MEQ 2.11268
15 1NV8 SAM 2.11268
16 3QPB URA 2.12766
17 3A27 SAM 2.20588
18 5N5D SAM 2.21239
19 1ZGA SAH 2.2409
20 1Q0S SAH 2.3166
21 2ZFU SAH 2.32558
22 4UCI SAM 2.33333
23 3VSE SAH 2.33333
24 5W7M SAH 2.33333
25 6C5B SAH 2.33333
26 3A25 SAM 2.33333
27 2AWN ADP 2.33333
28 2ZWA SAH 2.33333
29 3COB ADP 2.33333
30 1W8D NAP 2.33333
31 3TK1 GDP 2.33333
32 1W73 NAP 2.33333
33 3C6K SPD 2.33333
34 3C6K MTA 2.33333
35 1SQF SAM 2.33333
36 4PIO SAH 2.33333
37 4PIO AVI 2.33333
38 3Q85 GNP 2.36686
39 5JGL SAM 2.42215
40 1T57 FMN 2.42718
41 3GU3 SAH 2.46479
42 5E1M PRO PRO LYS ARG ILE ALA 2.48963
43 5E1M SAH 2.48963
44 2PK3 A2R 2.49221
45 5E72 SAM 2.66667
46 5W7K SAH 2.66667
47 1QZZ SAM 2.66667
48 2JHP SAH 2.66667
49 3P2E SAH 2.66667
50 1RJD SAM 2.66667
51 1G55 SAH 2.66667
52 1W6U NAP 2.66667
53 4FRZ ADP 2.66667
54 5I34 GDP 2.66667
55 2YX1 SFG 2.66667
56 3G2O SAM 2.67559
57 4MCC 21X 2.84553
58 3BXO SAM 2.92887
59 5UFN SAH 2.94118
60 2BOS GLA GAL GLC 2.94118
61 2BOS GLA GAL GLC NBU 2.94118
62 1FP1 SAH 2.95699
63 5MGZ SAH 2.9661
64 3T7S SAM 2.98507
65 5DNK SAH 3
66 1YXM ADE 3
67 4C4A SAH 3
68 3DMH SAM 3
69 3FXU TSU 3
70 3DMH GMP 3
71 2IZ1 ATR 3
72 4IEE AGS 3
73 2C9O ADP 3
74 3PT9 SAH 3
75 1GY8 NAD 3
76 5MPT SAH 3
77 5ZBR ANP 3
78 5M58 SAH 3.04348
79 3G89 SAM 3.21285
80 3GEG NAD 3.23887
81 4JLS 3ZE 3.28947
82 1UAY ADN 3.30579
83 5E8J SAH 3.33333
84 5E9W SAH 3.33333
85 4KRG SAH 3.33333
86 3M6W SAM 3.33333
87 3X0D SAH 3.33333
88 4DCM SAM 3.33333
89 4YMH SAH 3.33333
90 1C3V PDC 3.33333
91 4TQG NDP 3.33333
92 4EUE NAI 3.33333
93 3SSO SAH 3.33333
94 2RCN GDP 3.33333
95 1BXK NAD 3.33333
96 3EGI ADP 3.39806
97 2BQP GLC 3.4188
98 3H8V ATP 3.42466
99 4IWN GEK 3.49345
100 2DPM SAM 3.52113
101 3DUW SAH 3.58744
102 5THY SAH 3.66667
103 4DMG SAM 3.66667
104 5THZ SAH 3.66667
105 5X62 SAH 3.66667
106 3VYW SAM 3.66667
107 4Y9D NAI 3.66667
108 3S1S SAH 3.66667
109 5FWA J7C 3.66667
110 1GOJ ADP 3.66667
111 5D9X GSH 3.66667
112 5XNC MTA 3.66667
113 3KC1 2T6 3.66667
114 3HQP FDP 3.66667
115 3WV8 ATP 3.66972
116 4U00 ADP 3.68852
117 5BQ5 ADP BEF 3.7037
118 3OFK SAH 3.7037
119 3GRU AMP 3.72881
120 3CBG SAH 3.87931
121 4BQS ADP 3.97727
122 2JJQ SAH 4
123 2O07 MTA 4
124 1RJW ETF 4
125 4YUW 4JU 4
126 1TZD ADP 4
127 4YUW S4M 4
128 1UH4 GLC GLC GLC GLC GLC GLC 4
129 2O07 SPD 4
130 1KYQ NAD 4.0146
131 4RZ3 ADP 4.0678
132 3HVJ 705 4.0724
133 3O7W SAM 4.08163
134 3Q72 GNP 4.21687
135 4R6W SAH 4.26357
136 1LSS NAD 4.28571
137 3MB5 SAM 4.31373
138 1FP2 SAH 4.33333
139 6C8R SAH 4.33333
140 4PNE SAH 4.33333
141 3RKR NAP 4.33333
142 1KYZ SAH 4.33333
143 5YF1 SFG 4.33333
144 5W7R SAH 4.33333
145 1Y8Q ATP 4.33333
146 3L9W AMP 4.33333
147 5YF1 8V0 4.33333
148 3L9W GSH 4.33333
149 1LVL NAD 4.33333
150 4X60 SFG 4.33333
151 4X60 3XV 4.33333
152 1KYZ FER 4.33333
153 6C8R EQV 4.33333
154 4XUC SAM 4.33333
155 4XUC 43G 4.33333
156 1X87 NAD 4.33333
157 4NBW NAD 4.33333
158 5BSZ SAH 4.4
159 5K7U SAM 4.44444
160 5JE0 SAH 4.45344
161 5JE0 AZ8 4.45344
162 2VDV SAM 4.47154
163 5NGZ 2BG 4.56853
164 3OU2 SAH 4.58716
165 3MQ2 SAH 4.58716
166 3JWH SAH 4.60829
167 3LCV SAM 4.62633
168 3C3Y SAH 4.64135
169 6ECU SAH 4.66667
170 3TKA SAM 4.66667
171 3GWZ SAH 4.66667
172 4A6D SAM 4.66667
173 3GXO SAH 4.66667
174 1WPQ 13P 4.66667
175 1OHE ACE ALA SEP PRO 4.66667
176 6ECW SAH 4.66667
177 3L6R MLI 4.66667
178 5WS9 AMP 4.66667
179 3LCC SAH 4.68085
180 2CJW GDP 4.6875
181 5GM1 SAH 4.7138
182 5IL1 SAM 4.71698
183 4QTU SAM 4.80769
184 5BW4 SAM 4.86891
185 1QAN SAH 4.91803
186 4FZV SAM 5
187 4ONQ SFG 5
188 6D6Y SAH 5
189 6ECT SAM 5
190 1U2Z SAH 5
191 3A4M ADP 5
192 5ERG SAM 5
193 4E70 N7I 5
194 3DXY SAM 5.04587
195 2PXX SAH 5.11628
196 1XTP SAI 5.11811
197 2AOT SAH 5.13699
198 1JQD HSM 5.13699
199 1JQD SAH 5.13699
200 2HT6 GDP 5.17241
201 1R18 SAH 5.28634
202 2A14 SAH 5.32319
203 2UYQ SAM 5.33333
204 3LST SAH 5.33333
205 1XDS SAM 5.33333
206 5F8F SFG 5.33333
207 6BQ6 TER 5.33333
208 3P9C SAH 5.33333
209 2CDU ADP 5.33333
210 5XLX SAH 5.33333
211 4II2 ATP 5.52147
212 2BZG SAH 5.60345
213 3TKY SAH 5.66667
214 3BGD SAH 5.66667
215 3BGD PM6 5.66667
216 3TLJ SAH 5.66667
217 5JE8 NAD 5.66667
218 1Z45 NAD 5.66667
219 4CQM NAP 5.74713
220 4KIB SAH 6
221 4LWP SAH 6
222 4KRI SAH 6
223 3VC1 SAH 6
224 3VC1 GST 6
225 1WVG APR 6
226 2ZIF SAM 6.06061
227 1EJ0 SAM 6.11111
228 4OBW SAM 6.22568
229 1L1E SAH 6.27178
230 1KPH SAH 6.27178
231 4M73 M72 6.33333
232 4M73 SAH 6.33333
233 1I9G SAM 6.42857
234 1UZN NAP 6.47773
235 2XVM SAH 6.53266
236 2Q28 ADP 6.56028
237 4RDH AMP 6.59722
238 1VE3 SAM 6.60793
239 5OVK NDP 6.64062
240 6FDF SAH 6.66667
241 4NAE 1GP 6.66667
242 3K56 IS3 6.66667
243 2HNK SAH 6.69456
244 6B92 SAH 6.80272
245 3THR C2F 6.82594
246 1ZEM NAD 6.87023
247 3H2B SAH 6.89655
248 5KOK SAH 7
249 5DX8 SFG 7
250 5DXA SFG 7
251 5DX1 SFG 7
252 5DX0 SFG 7
253 5DWQ SFG 7
254 5KOK R9T 7
255 5KOK S9T 7
256 6ARJ BW4 7
257 6ARJ SAH 7
258 6DUB SAH 7.20721
259 3I53 SAH 7.22892
260 5GVR LMR 7.26496
261 4LJ9 ACP 7.33333
262 1R6B ADP 7.33333
263 2VT3 ATP 7.44186
264 5L95 AMP 7.5
265 3V0H I3P 7.66667
266 6F5Z SAH 7.79221
267 5DM1 5D7 7.86517
268 5DM1 SAH 7.86517
269 4CS9 AMP 7.93651
270 6GFK SAH 7.96813
271 1N2X SAM 8
272 5ZW3 SAH 8
273 3FZG SAM 8
274 5EEH SAH 8
275 4POO SAM 8
276 5YJI 8WO 8
277 5YJI SAH 8
278 5FA8 SAM 8.07453
279 2PT9 S4M 8.09969
280 2PT9 2MH 8.09969
281 1IM8 SAI 8.33333
282 2EJU SAH 8.33333
283 1V59 NAD 8.33333
284 2EWM NAD 8.43373
285 2XYQ SAH 8.62069
286 1VG9 GDP 8.64865
287 4NEC SAH 8.71212
288 5YJF 8WO 8.80282
289 5YJF SAH 8.80282
290 4F8L AES 8.96552
291 5LOG SAH 9
292 4AZW SAM 9
293 2HMT NAI 9.02778
294 1KPG SAH 9.05923
295 2I7C AAT 9.18728
296 2EG5 SAH 9.33333
297 1G60 SAM 9.61539
298 2EFJ SAH 9.66667
299 6GKV SAH 9.66667
300 4LHD GLY 9.66667
301 1MZV AMP 9.78723
302 3U31 NAD 10
303 5VJN IR8 10.1604
304 1ZQ9 SAM 10.1754
305 2WHX ADP 10.3333
306 2W58 ADP 10.396
307 1JJV ATP 10.6796
308 5WP4 SAH 11
309 1QB7 ADE 11.0169
310 1DL5 SAH 11.3333
311 1L3I SAH 11.4583
312 1F3L SAH 11.6667
313 1GZ6 NAI 11.6667
314 3FGZ BEF 11.7188
315 1SAZ ACP 12
316 5Z2F PDC 12.0755
317 1Z3C SA8 12.0805
318 2BGM NAJ 12.2302
319 5HJM MTA 12.3333
320 3MAG SAH 12.3333
321 1I1N SAH 12.3894
322 3GDH SAH 12.4481
323 3MCT SAH 12.4579
324 1L7N ALF 12.7962
325 1WG8 SAM 12.9825
326 4YAC NAI 13.468
327 5WP5 SAH 13.6667
328 5U19 827 14.3333
329 5U19 SAH 14.3333
330 1TPY SAH 14.9826
331 5FUB SAH 15
332 5O74 GDP 15
333 1P1C SAH 15.0754
334 3FUU ADN 15.1292
335 3Q87 SAM 15.2941
336 2CDN ADP 15.4229
337 2FK8 SAM 16
338 2NXE SAM 16.1417
339 4M37 SAH 16.3333
340 3FRH SAH 17.3913
341 2PWY SAH 17.4419
342 3A4T SFG 17.5182
343 1NW5 SAM 18.6667
344 1WY7 SAH 19.3237
345 1JQ3 AAT 21.9595
346 4GQB 0XU 22.7273
347 4M38 SAH 23.8095
348 5FA5 MTA 25
349 1JG3 ADN 36.5957
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