Receptor
PDB id Resolution Class Description Source Keywords
2PX8 2.2 Å EC: 2.7.7.48 CRYSTAL STRUCTURE OF THE MURRAY VALLEY ENCEPHALITIS VIRUS NS METHYLTRANSFERASE DOMAIN IN COMPLEX WITH SAH AND 7M-GTP MURRAY VALLEY ENCEPHALITIS VIRUS (STRA51) MURRAY VALLEY ENCEPHALITIS VIRUS METHYLTRANSFERASE SAH 7M3PO STRUCTURAL GENOMICS OXFORD PROTEIN PRODUCTION FACILITTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE MURRAY VALLEY ENCEPHALITIS NS5 METHYLTRANSFERASE DOMAIN IN COMPLEX WITH CAP AN J.GEN.VIROL. V. 88 2228 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PO A:451;
B:452;
Invalid;
Invalid;
none;
none;
submit data
257.955 H5 O10 P3 OP(=O...
CL B:502;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:463;
B:468;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MGT A:401;
B:402;
B:403;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
539.223 C11 H20 N5 O14 P3 CN1CN...
SAH A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PX8 2.2 Å EC: 2.7.7.48 CRYSTAL STRUCTURE OF THE MURRAY VALLEY ENCEPHALITIS VIRUS NS METHYLTRANSFERASE DOMAIN IN COMPLEX WITH SAH AND 7M-GTP MURRAY VALLEY ENCEPHALITIS VIRUS (STRA51) MURRAY VALLEY ENCEPHALITIS VIRUS METHYLTRANSFERASE SAH 7M3PO STRUCTURAL GENOMICS OXFORD PROTEIN PRODUCTION FACILITTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE MURRAY VALLEY ENCEPHALITIS NS5 METHYLTRANSFERASE DOMAIN IN COMPLEX WITH CAP AN J.GEN.VIROL. V. 88 2228 2007
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 2PX5 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 2PXA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
4 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 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 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
9 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
11 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
13 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
15 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
16 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
17 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
18 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
19 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
20 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
21 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
22 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
23 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
24 3P97 - 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: MGT; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 MGT 1 1
2 M7G 0.910256 1
3 8GT 0.557895 0.914634
4 TPG 0.55 0.920455
5 G8D 0.505155 0.914634
6 M7M 0.49505 0.963855
7 CTP 0.453608 0.829268
8 UTP 0.447917 0.780488
9 6G0 0.438095 0.837209
10 8DG 0.433962 0.872093
11 01G 0.433628 0.791209
12 MGP 0.428571 0.837209
13 H6Y 0.428571 0.77907
14 8GM 0.414141 0.902439
15 GTP 0.411215 0.823529
Ligand no: 2; Ligand: SAH; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 SXZ 0.692308 0.916667
6 DSH 0.692308 0.914286
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 RAB 0.573333 0.84058
19 ADN 0.573333 0.84058
20 XYA 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SSA 0.536842 0.712644
28 SMM 0.536842 0.88
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 AMP 0.529412 0.763158
36 A 0.529412 0.763158
37 5CA 0.525773 0.712644
38 ME8 0.524752 0.8125
39 M2T 0.52439 0.821918
40 6RE 0.523256 0.824324
41 GJV 0.522727 0.813333
42 AAT 0.515789 0.863014
43 LSS 0.515152 0.696629
44 KAA 0.514852 0.727273
45 J7C 0.511364 0.835616
46 A5A 0.510417 0.697674
47 SON 0.505495 0.805195
48 SRP 0.505155 0.805195
49 5AL 0.5 0.779221
50 VMS 0.5 0.681818
51 KH3 0.5 0.866667
52 ADX 0.5 0.694118
53 CA0 0.5 0.769231
54 AMP MG 0.5 0.74359
55 AMO 0.5 0.805195
56 54H 0.5 0.681818
57 AHX 0.49505 0.753086
58 TSB 0.494949 0.689655
59 53H 0.494949 0.674157
60 G5A 0.494737 0.712644
61 A2D 0.494382 0.74359
62 ABM 0.494382 0.74359
63 ZAS 0.494253 0.808219
64 A6D 0.490196 0.759494
65 8QN 0.49 0.779221
66 GEK 0.49 0.956522
67 GAP 0.489583 0.769231
68 A3S 0.48913 0.884058
69 AN2 0.48913 0.734177
70 S4M 0.488889 0.831169
71 SRA 0.488636 0.746835
72 LAD 0.485437 0.810127
73 52H 0.484848 0.674157
74 A12 0.483516 0.759494
75 BA3 0.483516 0.74359
76 AP2 0.483516 0.759494
77 AOC 0.483146 0.842857
78 NEC 0.483146 0.788732
79 Y3J 0.481481 0.768116
80 NVA LMS 0.480392 0.696629
81 VRT 0.479167 0.861111
82 50T 0.478723 0.734177
83 5AS 0.478261 0.655556
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 AP5 0.478261 0.74359
87 A3N 0.477778 0.830986
88 YSA 0.476636 0.712644
89 XAH 0.476636 0.768293
90 0XU 0.473684 0.897059
91 WAQ 0.471154 0.807692
92 NSS 0.470588 0.712644
93 5AD 0.468354 0.791045
94 ADP MG 0.468085 0.734177
95 AU1 0.468085 0.725
96 M33 0.468085 0.734177
97 MAO 0.467391 0.797468
98 TXA 0.466667 0.759494
99 A3G 0.466667 0.871429
100 NB8 0.466667 0.775
101 3AM 0.465909 0.727273
102 DAL AMP 0.465347 0.779221
103 ATP 0.463158 0.74359
104 ADP BEF 0.463158 0.716049
105 A3T 0.463158 0.842857
106 BEF ADP 0.463158 0.716049
107 ACP 0.463158 0.746835
108 7D7 0.4625 0.785714
109 LEU LMS 0.461538 0.677778
110 APC 0.458333 0.759494
111 AQP 0.458333 0.74359
112 APR 0.458333 0.766234
113 PRX 0.458333 0.746835
114 AR6 0.458333 0.766234
115 5FA 0.458333 0.74359
116 IOT 0.456897 0.761905
117 4AD 0.456311 0.794872
118 PAJ 0.456311 0.722892
119 WSA 0.45614 0.72093
120 FA5 0.453704 0.805195
121 YAP 0.453704 0.794872
122 RBY 0.453608 0.782051
123 ADV 0.453608 0.782051
124 ADP PO3 0.453608 0.763158
125 AD9 0.453608 0.725
126 SAP 0.453608 0.728395
127 AGS 0.453608 0.728395
128 PTJ 0.45283 0.731707
129 MHZ 0.452632 0.797468
130 00A 0.451923 0.740741
131 A3P 0.451613 0.74026
132 YLP 0.451327 0.771084
133 7MD 0.45045 0.768293
134 ALF ADP 0.45 0.707317
135 ADP ALF 0.45 0.707317
136 ATP MG 0.44898 0.734177
137 2VA 0.447917 0.819444
138 OOB 0.446602 0.779221
139 ANP 0.444444 0.725
140 ACQ 0.444444 0.746835
141 TAT 0.444444 0.7375
142 P5A 0.443396 0.719101
143 7D5 0.443182 0.708861
144 ARG AMP 0.442478 0.759036
145 A1R 0.442308 0.7625
146 YLC 0.439655 0.790123
147 2AM 0.438202 0.717949
148 DLL 0.438095 0.779221
149 A22 0.436893 0.734177
150 D3Y 0.436893 0.859155
151 TYR AMP 0.436364 0.782051
152 ATF 0.435644 0.716049
153 MYR AMP 0.435185 0.746988
154 SO8 0.434343 0.808219
155 3UK 0.433962 0.769231
156 OAD 0.433962 0.769231
157 TAD 0.433628 0.765432
158 25A 0.432692 0.74359
159 ANP MG 0.431373 0.707317
160 VO4 ADP 0.431373 0.734177
161 ADP VO4 0.431373 0.734177
162 9SN 0.431193 0.731707
163 TYM 0.431034 0.805195
164 PR8 0.429907 0.8
165 ADQ 0.428571 0.746835
166 YLB 0.42735 0.771084
167 3OD 0.425926 0.769231
168 FYA 0.425926 0.779221
169 1ZZ 0.425926 0.746988
170 PPS 0.425743 0.674419
171 NVA 2AD 0.424242 0.808219
172 MAP 0.423077 0.707317
173 A2P 0.421053 0.727273
174 4YB 0.421053 0.735632
175 ADP BMA 0.420561 0.746835
176 5SV 0.419048 0.731707
177 3NZ 0.416667 0.824324
178 YLA 0.416667 0.771084
179 48N 0.413793 0.753086
180 LPA AMP 0.413793 0.768293
181 AYB 0.413223 0.761905
182 QQY 0.413043 0.696203
183 ACK 0.413043 0.710526
184 JB6 0.412844 0.7625
185 BIS 0.412844 0.719512
186 PAP 0.41 0.730769
187 OVE 0.408602 0.7125
188 4UV 0.40708 0.75
189 AMP DBH 0.40708 0.746835
190 3AD 0.406977 0.852941
191 AF3 ADP 3PG 0.40678 0.743902
192 OMR 0.40678 0.738095
193 LAQ 0.405172 0.768293
194 A A 0.40367 0.74359
195 7C5 0.403509 0.789474
196 7MC 0.403361 0.75
197 4UU 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PX8; Ligand: MGT; Similar sites found: 18
This union binding pocket(no: 1) in the query (biounit: 2px8.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CX8 TG6 0.008339 0.42618 1.11524
2 2VG1 FPP 0.01017 0.41426 1.75439
3 3JYY PPV 0.0108 0.4146 2.23048
4 3RV5 DXC 0.002004 0.43903 2.24719
5 1J78 OLA 0.002175 0.46336 2.60223
6 5TUZ 7L6 0.004042 0.44981 2.68199
7 5TUZ SAM 0.004042 0.44981 2.68199
8 2J07 FAD 0.03139 0.41497 2.97398
9 3KDU NKS 0.04808 0.4037 2.97398
10 1N8V BDD 0.003766 0.44659 3.57143
11 4UCC ZKW 0.0234 0.40131 3.86266
12 4B7P 9UN 0.04612 0.40312 4.34783
13 5MWE TCE 0.005117 0.42709 4.93827
14 4RW3 TDA 0.03364 0.40484 5.20446
15 4D42 W0I 0.04683 0.40649 6.3197
16 4D42 NAP 0.04683 0.40649 6.3197
17 3AQT RCO 0.01404 0.40991 6.53061
18 1M2Z BOG 0.009425 0.4192 8.56031
Pocket No.: 2; Query (leader) PDB : 2PX8; Ligand: MGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2px8.bio2) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2PX8; Ligand: SAH; Similar sites found: 260
This union binding pocket(no: 3) in the query (biounit: 2px8.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.008681 0.41549 None
2 3U4C NDP 0.00696 0.41457 1.11524
3 1QAN SAH 0.00002413 0.47966 1.22951
4 3HVJ 705 0.0001213 0.50559 1.35747
5 1RSG FAD 0.008723 0.42437 1.48699
6 1YY5 FAD 0.01412 0.41622 1.48699
7 1XHL NDP 0.008812 0.41371 1.48699
8 4TQG NDP 0.0133 0.40186 1.48699
9 1P1C SAH 0.001262 0.41003 1.50754
10 1C3V PDC 0.01872 0.40752 1.63265
11 1SQF SAM 0.00001203 0.51886 1.85874
12 2PT9 2MH 0.001108 0.4574 1.85874
13 2PT9 S4M 0.0006385 0.45642 1.85874
14 3A27 SAM 0.0005447 0.4478 1.85874
15 4Q9N NAI 0.01173 0.40683 1.85874
16 1NFQ NAI 0.008222 0.41508 1.92308
17 1Q0S SAH 0.00004061 0.50751 1.9305
18 3C3Y SAH 0.00003927 0.49929 2.1097
19 5LOG SAH 0.0003014 0.45168 2.14592
20 1I9G SAM 0.00001933 0.51502 2.23048
21 5F8F SFG 0.0005759 0.45594 2.23048
22 3O7W SAM 0.0003314 0.44052 2.23048
23 4KRI SAH 0.0006782 0.42949 2.23048
24 3MJE NDP 0.005599 0.41883 2.23048
25 1BZL FAD 0.04084 0.41803 2.23048
26 2WPF FAD 0.0409 0.41759 2.23048
27 2WPF WPF 0.04386 0.416 2.23048
28 3S5W FAD 0.01028 0.40945 2.23048
29 1TAD GDP 0.0124 0.40193 2.23048
30 3DUW SAH 0.001764 0.42792 2.24215
31 2PXX SAH 0.000007193 0.51788 2.32558
32 2W58 ADP 0.01097 0.43262 2.47525
33 4KRG SAH 0.00002974 0.49484 2.60223
34 3C6K MTA 0.0005907 0.47251 2.60223
35 3C6K SPD 0.0005907 0.47251 2.60223
36 5JGL SAM 0.0006024 0.45038 2.60223
37 2EJU SAH 0.001245 0.43239 2.60223
38 3LCV SAM 0.003198 0.42212 2.60223
39 5X62 SAH 0.003165 0.41875 2.60223
40 5JCM ISD 0.03066 0.41236 2.60223
41 5JCM FAD 0.0334 0.40992 2.60223
42 5JCM NAD 0.0343 0.40992 2.60223
43 1V8K ANP 0.01568 0.40241 2.60223
44 3OJF NDP 0.01503 0.40641 2.72374
45 5JE0 AZ8 0.00001335 0.43025 2.83401
46 5JE0 SAH 0.00001335 0.43025 2.83401
47 3GDH SAH 0.000000263 0.53077 2.90456
48 5MGZ SAH 0.00205 0.41665 2.9661
49 2JHP SAH 0.0002658 0.46597 2.97398
50 1U2Z SAH 0.000509 0.4572 2.97398
51 2AWN ADP 0.006402 0.45152 2.97398
52 1FP1 SAH 0.000445 0.44072 2.97398
53 3UCL FAD 0.03316 0.41066 2.97398
54 3UCL NAP 0.03581 0.41066 2.97398
55 3UCL CYH 0.03316 0.41066 2.97398
56 5EB4 FAD 0.01643 0.40955 2.97398
57 4PIO SAH 0.01594 0.40416 2.97398
58 4PIO AVI 0.01508 0.40416 2.97398
59 3K56 IS3 0.01116 0.40171 3.00752
60 4NEC SAH 0.00003485 0.51057 3.0303
61 5M58 SAH 0.001841 0.42711 3.04348
62 2AE2 NAP 0.0173 0.40849 3.07692
63 3FRH SAH 0.002554 0.42642 3.16206
64 1XPJ TLA 0.006655 0.41816 3.1746
65 2VDV SAM 0.0002715 0.47588 3.25203
66 3G2O SAM 0.0001959 0.46686 3.34572
67 4DCM SAM 0.0009059 0.42833 3.34572
68 3I53 SAH 0.001513 0.41612 3.34572
69 2WHX ADP 0.01691 0.41324 3.34572
70 1ZGA SAH 0.001097 0.41966 3.36134
71 5BW4 SAM 0.002717 0.41303 3.37079
72 2A14 SAH 0.006061 0.40825 3.42205
73 1G55 SAH 0.0000042 0.52782 3.49854
74 5FTW SAH 0.001178 0.42086 3.51562
75 4N49 SAM 0.00000002802 0.63833 3.71747
76 5E8J SAH 0.00001632 0.53193 3.71747
77 4ONQ SFG 0.00005238 0.49145 3.71747
78 5E9W SAH 0.0000262 0.4734 3.71747
79 4C4A SAH 0.0002456 0.46491 3.71747
80 4Y2H SAH 0.001489 0.45739 3.71747
81 4Y2H 49K 0.001713 0.45455 3.71747
82 2ZIF SAM 0.0004592 0.45317 3.71747
83 4M37 SAH 0.0006164 0.44764 3.71747
84 3LST SAH 0.0013 0.44466 3.71747
85 3DMH SAM 0.0002904 0.44345 3.71747
86 1MO9 KPC 0.012 0.4399 3.71747
87 1MO9 FAD 0.01241 0.43865 3.71747
88 3X0D SAH 0.001976 0.42578 3.71747
89 1PS9 FAD 0.01532 0.41191 3.71747
90 1ZQ9 SAM 0.006321 0.40206 3.71747
91 3DMH GMP 0.0004188 0.40097 3.71747
92 2AOT SAH 0.005348 0.4002 3.71747
93 2GDZ NAD 0.01505 0.40068 3.74532
94 4FZV SAM 0.000005227 0.53969 3.76569
95 5MPT SAH 0.0000153 0.51438 3.86473
96 2PWY SAH 0.000004059 0.54936 3.87597
97 1I1N SAH 0.00007066 0.50252 3.9823
98 5THZ SAH 0.000008316 0.53568 4.08922
99 3GU3 SAH 0.00003921 0.52791 4.08922
100 3PT9 SAH 0.000007861 0.5268 4.08922
101 5THY SAH 0.000003517 0.52208 4.08922
102 3M6W SAM 0.0002046 0.4761 4.08922
103 3L9W AMP 0.001491 0.44755 4.08922
104 4LWP SAH 0.0006307 0.44507 4.08922
105 3S1S SAH 0.0002041 0.43662 4.08922
106 5GM1 SAH 0.0003258 0.42994 4.08922
107 3L9W GSH 0.005335 0.41978 4.08922
108 1V59 FAD 0.01495 0.41588 4.08922
109 2ZWA SAH 0.001923 0.40673 4.08922
110 4XUC SAM 0.0007818 0.46435 4.12844
111 4XUC 43G 0.0007818 0.46435 4.12844
112 3MQ2 SAH 0.001984 0.42766 4.12844
113 3JWH SAH 0.00008108 0.45847 4.14747
114 4YMH SAH 0.0002555 0.4475 4.16667
115 5BQ5 ADP BEF 0.009887 0.40413 4.2328
116 1LSS NAD 0.003361 0.40234 4.28571
117 3NUG NAD 0.01386 0.40353 4.45344
118 1WG8 SAM 0.00002064 0.52049 4.46097
119 3TKA SAM 0.00004424 0.4994 4.46097
120 1N2X SAM 0.00001034 0.48569 4.46097
121 2DPM SAM 0.0003354 0.46321 4.46097
122 4EUE NAI 0.0009008 0.45887 4.46097
123 4AZT SAM 0.0009455 0.43752 4.46097
124 1F3L SAH 0.0004638 0.42985 4.46097
125 4AZW SAM 0.001673 0.42891 4.46097
126 2XT3 ADP 0.01693 0.41546 4.46097
127 3H4V DVP 0.02412 0.40343 4.46097
128 5FJN BE2 0.02733 0.40332 4.46097
129 5FJN FAD 0.02425 0.40332 4.46097
130 2GVC FAD 0.01618 0.40275 4.46097
131 3H4V NAP 0.01488 0.4009 4.46097
132 3OFK SAH 0.002848 0.40075 4.46097
133 4POO SAM 0.0009086 0.44792 4.5
134 2HNK SAH 0.0004259 0.45667 4.60251
135 1DL5 SAH 0.00001068 0.53729 4.83271
136 5DWQ SFG 0.0004936 0.45962 4.83271
137 5DX0 SFG 0.0005575 0.45904 4.83271
138 5DX1 SFG 0.0001214 0.43105 4.83271
139 5DX8 SFG 0.0002942 0.43003 4.83271
140 5DXA SFG 0.0004201 0.42402 4.83271
141 4NBW NAD 0.008704 0.40884 4.83271
142 5GJC ATP 0.0169 0.40082 4.83271
143 4FWE FAD 0.02883 0.40058 4.83271
144 1R18 SAH 0.00008291 0.4599 4.84582
145 2HMT NAI 0.001919 0.4054 4.86111
146 1JJ7 ADP 0.01637 0.42167 5
147 3AD8 NAD 0.0129 0.40841 5.05051
148 2F6U CIT 0.02497 0.40056 5.12821
149 1XTP SAI 0.0001677 0.46976 5.20446
150 3VYW SAM 0.000101 0.46302 5.20446
151 1RJD SAM 0.001143 0.43804 5.20446
152 3GXO SAH 0.002772 0.42531 5.20446
153 3GWZ SAH 0.0008807 0.42456 5.20446
154 4A6D SAM 0.001313 0.42351 5.20446
155 3LRE ADP 0.01868 0.41731 5.20446
156 4HXY NDP 0.008226 0.41385 5.20446
157 1EK6 UPG 0.04252 0.40041 5.20446
158 1L3I SAH 0.000008022 0.54283 5.20833
159 3T7S SAM 0.0003287 0.45722 5.22388
160 1VE3 SAM 0.0009812 0.43683 5.28634
161 3BGD SAH 0.001598 0.4037 5.38462
162 3EGV SAH 0.004188 0.41341 5.51181
163 2NXE SAM 0.003553 0.41282 5.51181
164 5KVA SAM 0.00007605 0.46154 5.57621
165 4PNE SAH 0.0002321 0.43571 5.57621
166 1O97 AMP 0.01681 0.42021 5.57621
167 1TPY SAH 0.008186 0.40253 5.57621
168 3RKR NAP 0.006695 0.4203 5.72519
169 3BXO SAM 0.0002285 0.44768 5.85774
170 1PR9 NAP 0.004267 0.42932 5.94796
171 1KPH SAH 0.006954 0.40563 5.94796
172 4USQ FAD 0.01953 0.40008 5.94796
173 3DXY SAM 0.00801 0.41232 5.9633
174 2ZFU SAH 0.001152 0.4379 6.04651
175 2DTX BMA 0.01085 0.41708 6.06061
176 4IWN GEK 0.0001419 0.48157 6.11354
177 1IM8 SAI 0.00008697 0.46526 6.14754
178 1WY7 SAH 0.00001139 0.52739 6.28019
179 5E72 SAM 0.00008618 0.48899 6.3197
180 5E1M SAH 0.00003254 0.48198 6.3197
181 1YXM ADE 0.002163 0.46043 6.3197
182 3TKY SAH 0.0005409 0.4501 6.3197
183 1JG3 ADN 0.003131 0.41518 6.3197
184 3LCC SAH 0.0002243 0.45807 6.38298
185 3OU2 SAH 0.00002364 0.45815 6.42202
186 4QTU SAM 0.00001049 0.51082 6.66667
187 3QOX SAH 0.0003727 0.46314 6.69145
188 1GOJ ADP 0.01256 0.42943 6.69145
189 4IEE AGS 0.01161 0.41301 6.69145
190 2VVM FAD 0.01657 0.40938 6.69145
191 3QWI NAP 0.01658 0.40227 6.69145
192 3QWI CUE 0.0262 0.40173 6.69145
193 1RZ1 NAD 0.02009 0.40459 6.8323
194 3H2B SAH 0.001428 0.43188 6.89655
195 3CTY FAD 0.01953 0.40951 6.89655
196 1G6H ADP 0.02117 0.41415 7.00389
197 2EG5 SAH 0.00004883 0.51008 7.0632
198 2YX1 SFG 0.00005012 0.50956 7.0632
199 5KOK SAH 0.00001891 0.50098 7.0632
200 1NV8 SAM 0.002454 0.43497 7.0632
201 1NV8 MEQ 0.002491 0.43323 7.0632
202 1KYZ SAH 0.001934 0.42417 7.0632
203 1KYZ FER 0.006074 0.41586 7.0632
204 4MIG G3F 0.02988 0.40376 7.0632
205 2GAG NAD 0.0117 0.41354 7.07071
206 2GAG FAD 0.02347 0.4065 7.07071
207 2GAG FOA 0.0255 0.40477 7.07071
208 2UYQ SAM 0.0003883 0.49813 7.09677
209 1XDS SAM 0.001551 0.44114 7.21925
210 5K7U SAM 0.0003056 0.45857 7.43494
211 5IL1 SAM 0.0003264 0.45735 7.43494
212 1E6E FAD 0.01313 0.41018 7.43494
213 2XVM SAH 0.00007054 0.46542 7.53769
214 3Q87 SAM 0.0007831 0.41492 7.64706
215 1EJ0 SAM 0.0000004606 0.57967 7.77778
216 2JJQ SAH 0.000006201 0.55121 7.80669
217 1NW5 SAM 0.0001162 0.47895 7.80669
218 4DMG SAM 0.0004647 0.47051 7.80669
219 2C7G ODP 0.02553 0.41065 7.80669
220 3A4T SFG 0.00001466 0.48787 8.17844
221 5N5D SAM 0.002242 0.42342 8.40708
222 2CBZ ATP 0.01131 0.43221 8.43882
223 5GVR LMR 0.004782 0.44081 8.54701
224 3Q9T FAY 0.02169 0.40103 8.55019
225 5FA8 SAM 0.0005232 0.42309 8.69565
226 1G60 SAM 0.00007905 0.4758 8.92193
227 3VSE SAH 0.0006114 0.42077 8.92193
228 4J1Q NDP 0.01137 0.40361 8.92193
229 2XFE GAL GAL 0.02282 0.40868 8.92857
230 4BLW AMP 0.001191 0.45596 8.99654
231 4BLW SAH 0.0007966 0.45381 8.99654
232 1UYY BGC BGC 0.01629 0.41008 9.16031
233 4KIB SAH 0.0006044 0.44025 9.29368
234 3GDN FAD 0.01578 0.41219 9.29368
235 3GDN HBX 0.02148 0.41219 9.29368
236 2BZG SAH 0.002607 0.4186 9.48276
237 4BQS ADP 0.01271 0.40683 9.65909
238 4OBW SAM 0.003516 0.41302 9.66543
239 1QZZ SAM 0.001112 0.44777 10.0372
240 2BGM NAJ 0.01203 0.40116 10.0372
241 3G89 SAM 0.001389 0.44333 10.0402
242 3VC1 SAH 0.0002929 0.43456 10.4089
243 2F5Z FAD 0.02649 0.40234 10.9375
244 1Z3C SA8 0.0003462 0.4748 11.1524
245 2XZ9 PYR 0.02548 0.40125 11.1524
246 2WK1 SAH 0.003087 0.41928 11.5242
247 3MB5 SAM 0.000003437 0.50535 11.8959
248 3CBG SAH 0.001416 0.43408 11.8959
249 4AG5 ADP 0.02991 0.40015 11.9898
250 2OBM ADP 0.03095 0.4028 12.2677
251 5HJM MTA 0.0001109 0.46862 12.6394
252 5XVQ SAH 0.001461 0.40709 12.6394
253 2V7Q ADP 0.01251 0.40715 13.0137
254 4UCI SAM 0.0000008591 0.55675 15.2416
255 2XYQ SAH 0.00003858 0.49715 15.5738
256 3TLJ SAH 0.00002768 0.46914 15.9851
257 2EFJ SAH 0.000151 0.46501 15.9851
258 4GQB 0XU 0.00007315 0.49623 27.2727
259 4M38 SAH 0.0006222 0.4323 28.5714
260 5FA5 MTA 0.00176 0.43416 30
Pocket No.: 4; Query (leader) PDB : 2PX8; Ligand: MGT; Similar sites found: 3
This union binding pocket(no: 4) in the query (biounit: 2px8.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IS2 FAD 0.02385 0.40549 4.54545
2 2XMY CDK 0.03028 0.4267 6.3197
3 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.01768 0.40491 7.89474
Pocket No.: 5; Query (leader) PDB : 2PX8; Ligand: SAH; Similar sites found: 45
This union binding pocket(no: 5) in the query (biounit: 2px8.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PHT MAN MAN MAN 0.0294 0.40099 1.19048
2 2Q1S NAI 0.01687 0.40874 1.48699
3 3BP1 GUN 0.02616 0.40341 2.23048
4 4NTC FAD 0.02139 0.40219 2.23048
5 1FEC FAD 0.02655 0.40195 2.23048
6 3GEG NAD 0.01085 0.40142 2.42915
7 3A25 SAM 0.002312 0.42283 2.60223
8 3ICR FAD 0.01554 0.40482 2.89116
9 5DNK SAH 0.0005893 0.40929 2.97398
10 5BUK FAD 0.0176 0.40874 3.34572
11 1N4W FAD 0.025 0.40075 3.34572
12 3EGI ADP 0.006638 0.43184 3.39806
13 1QO8 FAD 0.01974 0.4047 3.71747
14 5KJW 53C 0.01233 0.41249 4.08922
15 1REO FAD 0.0141 0.40872 4.08922
16 4CNK FAD 0.01367 0.40838 4.08922
17 4RDH AMP 0.007006 0.40907 4.46097
18 3FUU ADN 0.004948 0.40512 4.46097
19 4BV6 FAD 0.009081 0.41944 4.83271
20 2CDU FAD 0.01333 0.40685 4.83271
21 4FC7 NAP 0.02025 0.40418 4.83271
22 4FC7 COA 0.02025 0.40418 4.83271
23 3AD8 FAD 0.02012 0.4192 5.05051
24 3BGD PM6 0.001103 0.40283 5.38462
25 1I8T FAD 0.009022 0.41764 5.94796
26 1W5T ADP 0.006248 0.40765 5.94796
27 2FK8 SAM 0.004078 0.40327 6.3197
28 4USR FAD 0.01291 0.40422 6.69145
29 4MKF AP5 0.01748 0.40443 6.91244
30 3NTD FAD 0.02072 0.40006 7.0632
31 1UAY ADN 0.004692 0.42095 7.43494
32 3QVP FAD 0.01422 0.41221 7.43494
33 1ELI PYC 0.01672 0.40436 7.43494
34 1KPG SAH 0.003599 0.40204 7.43494
35 2C7G FAD 0.01293 0.42273 7.80669
36 2XVE FAD 0.03564 0.40408 7.80669
37 1Y8Q ATP 0.001659 0.40375 7.80669
38 2XVF FAD 0.01865 0.4012 7.80669
39 5CK5 GDP 0.02111 0.40182 8.17844
40 4MKG AP5 0.01636 0.40479 8.29493
41 1L1E SAH 0.002912 0.4096 9.05923
42 1JNR FAD 0.04101 0.4077 9.33333
43 4II2 ATP 0.001183 0.42518 9.66543
44 4CS9 AMP 0.001744 0.48617 10.4089
45 5MW4 5JU 0.00005717 0.40875 14.8699
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