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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 (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: MGT; Similar ligands found: 16
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 HF4 0.453608 0.829268
9 UTP 0.447917 0.780488
10 6G0 0.438095 0.837209
11 8DG 0.433962 0.872093
12 01G 0.433628 0.791209
13 H6Y 0.428571 0.77907
14 MGP 0.428571 0.837209
15 8GM 0.414141 0.902439
16 GTP 0.411215 0.823529
Ligand no: 2; Ligand: SAH; Similar ligands found: 211
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 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
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 ADN 0.573333 0.84058
19 RAB 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 SMM 0.536842 0.88
28 SSA 0.536842 0.712644
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 A 0.529412 0.763158
36 LMS 0.529412 0.694118
37 AMP 0.529412 0.763158
38 5CA 0.525773 0.712644
39 ME8 0.524752 0.8125
40 M2T 0.52439 0.821918
41 6RE 0.523256 0.824324
42 GJV 0.522727 0.813333
43 AAT 0.515789 0.863014
44 LSS 0.515152 0.696629
45 KAA 0.514852 0.727273
46 J7C 0.511364 0.835616
47 A5A 0.510417 0.697674
48 SON 0.505495 0.805195
49 SRP 0.505155 0.805195
50 F0P 0.504505 0.915493
51 54H 0.5 0.681818
52 VMS 0.5 0.681818
53 ADX 0.5 0.694118
54 CA0 0.5 0.769231
55 AMO 0.5 0.805195
56 5AL 0.5 0.779221
57 KH3 0.5 0.866667
58 NVA LMS 0.49505 0.707865
59 AHX 0.49505 0.753086
60 TSB 0.494949 0.689655
61 53H 0.494949 0.674157
62 G5A 0.494737 0.712644
63 ABM 0.494382 0.74359
64 A2D 0.494382 0.74359
65 ZAS 0.494253 0.808219
66 A6D 0.490196 0.759494
67 8QN 0.49 0.779221
68 GEK 0.49 0.956522
69 GAP 0.489583 0.769231
70 AN2 0.48913 0.734177
71 A3S 0.48913 0.884058
72 S4M 0.488889 0.831169
73 SRA 0.488636 0.746835
74 LAD 0.485437 0.810127
75 52H 0.484848 0.674157
76 A12 0.483516 0.759494
77 BA3 0.483516 0.74359
78 AP2 0.483516 0.759494
79 NEC 0.483146 0.788732
80 AOC 0.483146 0.842857
81 Y3J 0.481481 0.768116
82 VRT 0.479167 0.861111
83 50T 0.478723 0.734177
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 5AS 0.478261 0.655556
87 AP5 0.478261 0.74359
88 A3N 0.477778 0.830986
89 YSA 0.476636 0.712644
90 XAH 0.476636 0.768293
91 0XU 0.473684 0.897059
92 AT4 0.473118 0.7375
93 WAQ 0.471154 0.807692
94 NSS 0.470588 0.712644
95 5AD 0.468354 0.791045
96 AU1 0.468085 0.725
97 M33 0.468085 0.734177
98 MAO 0.467391 0.797468
99 TXA 0.466667 0.759494
100 NB8 0.466667 0.775
101 A3G 0.466667 0.871429
102 3AM 0.465909 0.727273
103 DAL AMP 0.465347 0.779221
104 8X1 0.465347 0.707865
105 A3T 0.463158 0.842857
106 ATP 0.463158 0.74359
107 HEJ 0.463158 0.74359
108 ACP 0.463158 0.746835
109 7D7 0.4625 0.785714
110 LEU LMS 0.461538 0.688889
111 9ZA 0.460784 0.740741
112 9ZD 0.460784 0.740741
113 5FA 0.458333 0.74359
114 AQP 0.458333 0.74359
115 AR6 0.458333 0.766234
116 APC 0.458333 0.759494
117 APR 0.458333 0.766234
118 PRX 0.458333 0.746835
119 F2R 0.457627 0.75
120 IOT 0.456897 0.761905
121 4AD 0.456311 0.794872
122 PAJ 0.456311 0.722892
123 WSA 0.45614 0.72093
124 YAP 0.453704 0.794872
125 8PZ 0.453704 0.712644
126 FA5 0.453704 0.805195
127 ADP PO3 0.453608 0.763158
128 ADV 0.453608 0.782051
129 NVA 2AD 0.453608 0.849315
130 SAP 0.453608 0.728395
131 AGS 0.453608 0.728395
132 RBY 0.453608 0.782051
133 AD9 0.453608 0.725
134 PTJ 0.45283 0.731707
135 MHZ 0.452632 0.797468
136 00A 0.451923 0.740741
137 A3P 0.451613 0.74026
138 YLP 0.451327 0.771084
139 7MD 0.45045 0.768293
140 ALF ADP 0.45 0.707317
141 ADP ALF 0.45 0.707317
142 2VA 0.447917 0.819444
143 OOB 0.446602 0.779221
144 ANP 0.444444 0.725
145 T99 0.444444 0.7375
146 ACQ 0.444444 0.746835
147 TAT 0.444444 0.7375
148 P5A 0.443396 0.719101
149 7D5 0.443182 0.708861
150 A1R 0.442308 0.7625
151 YLC 0.439655 0.790123
152 2AM 0.438202 0.717949
153 DLL 0.438095 0.779221
154 ARG AMP 0.4375 0.759036
155 A22 0.436893 0.734177
156 D3Y 0.436893 0.859155
157 ATF 0.435644 0.716049
158 MYR AMP 0.435185 0.746988
159 80F 0.434426 0.75
160 SO8 0.434343 0.808219
161 OAD 0.433962 0.769231
162 3UK 0.433962 0.769231
163 TAD 0.433628 0.765432
164 25A 0.432692 0.74359
165 6YZ 0.431373 0.746835
166 VO4 ADP 0.431373 0.734177
167 ADP VO4 0.431373 0.734177
168 9SN 0.431193 0.731707
169 TYM 0.431034 0.805195
170 B5V 0.429907 0.759494
171 PR8 0.429907 0.8
172 ADQ 0.428571 0.746835
173 YLB 0.42735 0.771084
174 9K8 0.425926 0.67033
175 1ZZ 0.425926 0.746988
176 FYA 0.425926 0.779221
177 3OD 0.425926 0.769231
178 PPS 0.425743 0.674419
179 MAP 0.423077 0.707317
180 A2P 0.421053 0.727273
181 4YB 0.421053 0.735632
182 9X8 0.420561 0.75
183 ADP BMA 0.420561 0.746835
184 TYR AMP 0.419643 0.794872
185 5SV 0.419048 0.731707
186 3NZ 0.416667 0.824324
187 YLA 0.416667 0.771084
188 8Q2 0.415254 0.688889
189 A3R 0.415094 0.7625
190 B5Y 0.414414 0.75
191 B5M 0.414414 0.75
192 48N 0.413793 0.753086
193 LPA AMP 0.413793 0.768293
194 AYB 0.413223 0.761905
195 ACK 0.413043 0.710526
196 QQY 0.413043 0.696203
197 BIS 0.412844 0.719512
198 JB6 0.412844 0.7625
199 PAP 0.41 0.730769
200 DQV 0.408696 0.75641
201 OVE 0.408602 0.7125
202 AMP DBH 0.40708 0.746835
203 4UV 0.40708 0.75
204 3AD 0.406977 0.852941
205 AF3 ADP 3PG 0.40678 0.743902
206 OMR 0.40678 0.738095
207 LAQ 0.405172 0.768293
208 A A 0.40367 0.74359
209 7C5 0.403509 0.789474
210 7MC 0.403361 0.75
211 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 with APoc: 57
This union binding pocket(no: 1) in the query (biounit: 2px8.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 2GJ5 VD3 None
3 5CX8 TG6 1.11524
4 5OLK DTP 1.48699
5 5OLZ T4E 1.48699
6 2VG1 FPP 1.75439
7 6BMS POV 1.85874
8 5L4R CPT 1.93237
9 3JYY PPV 2.23048
10 3RV5 DXC 2.24719
11 1J78 OLA 2.60223
12 6CB2 OLC 2.60223
13 5TUZ SAM 2.68199
14 5TUZ 7L6 2.68199
15 2J07 HDF 2.97398
16 2J07 FAD 2.97398
17 6CGN DA 2.97398
18 4U8P UDP 2.97398
19 5H4S RAM 2.97398
20 3KDU NKS 2.97398
21 4NVQ 2OD 3.34572
22 4NVQ SAH 3.34572
23 5U97 PIT 3.71747
24 3AI3 SOE 3.80228
25 4UCC ZKW 3.86266
26 5LX9 OLB 3.87324
27 3HLX PQQ 3.87597
28 4B7P 9UN 4.34783
29 1C0I FAD 4.46097
30 1C0I BE2 4.46097
31 3GD4 FAD 4.83271
32 1ZPD CIT 4.83271
33 5MWE TCE 4.93827
34 4RW3 TDA 5.20446
35 5KBZ 3B2 5.20446
36 3NY4 SMX 5.57621
37 4LA7 A1O 5.69948
38 3W5N RAM 5.94796
39 4D42 W0I 6.3197
40 4D42 NAP 6.3197
41 3AQT RCO 6.53061
42 3GD8 GOL 6.72646
43 5K7H IVC 7.79221
44 5M36 9SZ 7.89474
45 5N6N SUC 8.17844
46 3ZOK GLY 8.55019
47 3WGT FAD 8.55019
48 1M2Z BOG 8.56031
49 4U03 GTP 9.66543
50 4U03 TLL 9.66543
51 4F06 PHB 10.0372
52 5D9J 0N8 11.2299
53 2Y69 CHD 21.25
54 5Z84 CHD 30.3571
55 5W97 CHD 30.3571
56 5ZCO CHD 30.3571
57 4OGQ 7PH 40.5405
Pocket No.: 2; Query (leader) PDB : 2PX8; Ligand: MGT; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2PX8; Ligand: SAH; Similar sites found with APoc: 477
This union binding pocket(no: 3) in the query (biounit: 2px8.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXU 2HP None
2 2BD0 NAP 0.819672
3 3U4C NDP 1.11524
4 1QAN SAH 1.22951
5 1XCL SAH 1.2766
6 3HVJ 705 1.35747
7 6ECW SAH 1.48699
8 6ECU SAH 1.48699
9 1RSG FAD 1.48699
10 4LJ9 ACP 1.48699
11 1YY5 FAD 1.48699
12 1XHL NDP 1.48699
13 4TQG NDP 1.48699
14 1P1C SAH 1.50754
15 4DDY DN6 1.52091
16 1C3V PDC 1.63265
17 1NNU NAD 1.74672
18 1NNU TCT 1.74672
19 1SQF SAM 1.85874
20 2I7C AAT 1.85874
21 2PT9 2MH 1.85874
22 2PT9 S4M 1.85874
23 3A27 SAM 1.85874
24 5YF1 SFG 1.85874
25 5YF1 8V0 1.85874
26 1RRC ADP 1.85874
27 4Q9N NAI 1.85874
28 5F2K OCA 1.90217
29 5F2K SAH 1.90217
30 1U7T TDT 1.91571
31 1NFQ NAI 1.92308
32 1Q0S SAH 1.9305
33 6GFK SAH 1.99203
34 2EWM NAD 2.00803
35 3C3Y SAH 2.1097
36 5LOG SAH 2.14592
37 1I9G SAM 2.23048
38 3O7W SAM 2.23048
39 5F8F SFG 2.23048
40 4KRI SAH 2.23048
41 5JAQ NAI 2.23048
42 1BZL FAD 2.23048
43 3HB5 NAP 2.23048
44 3S5W FAD 2.23048
45 2C9O ADP 2.23048
46 1T5C ADP 2.23048
47 5XWV NDP 2.23048
48 5XWV 8H6 2.23048
49 1TAD GDP 2.23048
50 1TAD ALF 2.23048
51 3GF4 FAD 2.23048
52 3DUW SAH 2.24215
53 1VL8 NAP 2.24719
54 3PFG TLO 2.28137
55 3PFG SAM 2.28137
56 2PXX SAH 2.32558
57 4FN4 NAD 2.3622
58 4CQM NAP 2.45902
59 2W58 ADP 2.47525
60 1TZD ADP 2.54545
61 4KRG SAH 2.60223
62 5W7K SAH 2.60223
63 3C6K MTA 2.60223
64 3C6K SPD 2.60223
65 6C8R EQV 2.60223
66 6C8R SAH 2.60223
67 5JGL SAM 2.60223
68 4YAC NAI 2.60223
69 3FPF TNA 2.60223
70 1FP2 SAH 2.60223
71 2EJU SAH 2.60223
72 3FPF MTA 2.60223
73 3LCV SAM 2.60223
74 1J78 OLA 2.60223
75 3HDY FAD 2.60223
76 1XKQ NDP 2.60223
77 5X62 SAH 2.60223
78 3HDY FDA 2.60223
79 3HDY GDU 2.60223
80 5OC1 FAD 2.60223
81 1V8K ANP 2.60223
82 4DSG FAD 2.60223
83 4DSG UDP 2.60223
84 2GQT FAD 2.61194
85 4JLS 3ZE 2.63158
86 3OJF IMJ 2.72374
87 3OJF NDP 2.72374
88 1EFV FAD 2.7451
89 1EFV AMP 2.7451
90 5JE0 SAH 2.83401
91 5JE0 AZ8 2.83401
92 3GDH SAH 2.90456
93 5O42 NAD 2.91971
94 5O42 9JW 2.91971
95 5O42 BGC 2.91971
96 5MGZ SAH 2.9661
97 1U2Z SAH 2.97398
98 2JHP SAH 2.97398
99 2AWN ADP 2.97398
100 1FP1 SAH 2.97398
101 5DNK SAH 2.97398
102 2O07 MTA 2.97398
103 2O07 SPD 2.97398
104 4M52 M52 2.97398
105 5OVK NDP 2.97398
106 4FRZ ADP 2.97398
107 3NKS FAD 2.97398
108 5EJ2 NAD 2.97398
109 3UCL CYH 2.97398
110 3UCL FAD 2.97398
111 4MO2 FDA 2.97398
112 1GTE FAD 2.97398
113 4PIO AVI 2.97398
114 4PIO SAH 2.97398
115 4M52 FAD 2.97398
116 3A4V NAD 2.97398
117 3A4V PYR 2.97398
118 5TSH ADP 2.97398
119 3K56 IS3 3.00752
120 4NEC SAH 3.0303
121 5M58 SAH 3.04348
122 2AE2 PTO 3.07692
123 2AE2 NAP 3.07692
124 1E6W NAD 3.07692
125 3A28 NAD 3.10078
126 3FRH SAH 3.16206
127 1XPJ TLA 3.1746
128 5BSZ SAH 3.2
129 4NBU NAI 3.2
130 4URF NAD 3.22581
131 2VDV SAM 3.25203
132 3G2O SAM 3.34572
133 4R6W PC 3.34572
134 4R6W SAH 3.34572
135 3I53 SAH 3.34572
136 4DCM SAM 3.34572
137 2JB2 FAD 3.34572
138 2JB2 PHE 3.34572
139 2WHX ADP 3.34572
140 4OHU NAD 3.34572
141 4OHU 2TK 3.34572
142 4MOP 2H5 3.34572
143 1YQT ADP 3.34572
144 5ZXD ATP 3.34572
145 3ABI NAD 3.34572
146 1ZGA SAH 3.36134
147 5BW4 SAM 3.37079
148 3EGI ADP 3.39806
149 2A14 SAH 3.42205
150 2PZE ATP 3.49345
151 1G55 SAH 3.49854
152 5FTW SAH 3.51562
153 3P2E SAH 3.55556
154 4FGC PQ0 3.63636
155 4U00 ADP 3.68852
156 4N49 SAM 3.71747
157 4ONQ SFG 3.71747
158 5E8J SAH 3.71747
159 5E9W SAH 3.71747
160 3DMH GMP 3.71747
161 4C4A SAH 3.71747
162 3DMH SAM 3.71747
163 4Y30 SAH 3.71747
164 4Y30 49L 3.71747
165 5EEH SAH 3.71747
166 5EEH P9P 3.71747
167 2ZIF SAM 3.71747
168 4M37 SAH 3.71747
169 3LST SAH 3.71747
170 4YUW 4JU 3.71747
171 1MO9 FAD 3.71747
172 1MO9 KPC 3.71747
173 6BQ6 TER 3.71747
174 4YUW S4M 3.71747
175 3X0D SAH 3.71747
176 3FSY SCA 3.71747
177 5TTJ FAD 3.71747
178 6A20 ADP 3.71747
179 1PS9 FAD 3.71747
180 3RNM FAD 3.71747
181 1JQD SAH 3.71747
182 1ZQ9 SAM 3.71747
183 5ZBR ANP 3.71747
184 2AOT SAH 3.71747
185 5LXB 7A9 3.71901
186 2GDZ NAD 3.74532
187 4NBT NAD 3.75
188 4FZV SAM 3.76569
189 5UFN SAH 3.78151
190 3A4M ADP 3.84615
191 5MPT SAH 3.86473
192 2PWY SAH 3.87597
193 1I1N SAH 3.9823
194 5THY SAH 4.08922
195 3GU3 SAH 4.08922
196 3PT9 SAH 4.08922
197 5THZ SAH 4.08922
198 3M6W SAM 4.08922
199 5GM1 SAH 4.08922
200 3L9W AMP 4.08922
201 4LWP SAH 4.08922
202 5W7M SAH 4.08922
203 1JQ3 AAT 4.08922
204 3S1S SAH 4.08922
205 2ZWA SAH 4.08922
206 4Y9D NAI 4.08922
207 3L9W GSH 4.08922
208 1V59 FAD 4.08922
209 1V59 NAD 4.08922
210 1XX6 ADP 4.08922
211 2C5A NAD 4.08922
212 2C5A GDC 4.08922
213 5XLX SAH 4.08922
214 5FWA J7C 4.08922
215 4XUC SAM 4.12844
216 4XUC 43G 4.12844
217 3MQ2 SAH 4.12844
218 3JWH SAH 4.14747
219 1H5Q NAP 4.15094
220 4YMH SAH 4.16667
221 2WYV NAD 4.21456
222 5BQ5 ADP BEF 4.2328
223 1LSS NAD 4.28571
224 2CUL FAD 4.31034
225 3THR C2F 4.43686
226 3NUG NAD 4.45344
227 1N2X SAM 4.46097
228 1WG8 SAM 4.46097
229 3TKA SAM 4.46097
230 2DPM SAM 4.46097
231 4EUE NAI 4.46097
232 1F3L SAH 4.46097
233 4AZW SAM 4.46097
234 3COB ADP 4.46097
235 2XT3 ADP 4.46097
236 3OFK SAH 4.46097
237 2GV8 FAD 4.46097
238 3H4V DVP 4.46097
239 5FJN BE2 4.46097
240 5FJN FAD 4.46097
241 2GVC FAD 4.46097
242 5TWB FAD 4.46097
243 3H4V NAP 4.46097
244 1VQW FAD 4.46097
245 4POO SAM 4.5
246 2HNK SAH 4.60251
247 5U19 SAH 4.69208
248 5U19 827 4.69208
249 6ARJ BW4 4.83271
250 5DX8 SFG 4.83271
251 6ARJ SAH 4.83271
252 1DL5 SAH 4.83271
253 4RPL 3UC 4.83271
254 4RPL FAD 4.83271
255 5DXA SFG 4.83271
256 5DX0 SFG 4.83271
257 5DX1 SFG 4.83271
258 5DWQ SFG 4.83271
259 4NBW NAD 4.83271
260 6F97 FAD 4.83271
261 3GD4 NAD 4.83271
262 3GD4 FAD 4.83271
263 4FC7 NAP 4.83271
264 4FC7 COA 4.83271
265 4FWE FAD 4.83271
266 4GUT FAD 4.83871
267 4GUS FAD 4.83871
268 1R18 SAH 4.84582
269 2HMT NAI 4.86111
270 3ZNN FAD 4.89914
271 3ZNN 4WL 4.89914
272 1JJ7 ADP 5
273 6CI9 NAP 5.01931
274 3AD8 NAD 5.05051
275 2F6U CIT 5.12821
276 3VYW SAM 5.20446
277 1XTP SAI 5.20446
278 3GWZ SAH 5.20446
279 1RJD SAM 5.20446
280 4A6D SAM 5.20446
281 4HXY NDP 5.20446
282 3GXO SAH 5.20446
283 3LRE ADP 5.20446
284 1EK6 NAI 5.20446
285 1GEG NAD 5.20446
286 1EK6 UPG 5.20446
287 1L3I SAH 5.20833
288 3T7S SAM 5.22388
289 2JAP NDP 5.26316
290 2JAH NDP 5.26316
291 1VE3 SAM 5.28634
292 3BGD PM6 5.38462
293 3BGD SAH 5.38462
294 6DUB SAH 5.40541
295 2NXE SAM 5.51181
296 5KVA SAM 5.57621
297 6D6Y SAH 5.57621
298 3P9C SAH 5.57621
299 4PNE SAH 5.57621
300 1UWK NAD 5.57621
301 1UWK URO 5.57621
302 2VVG ADP 5.57621
303 4X7Y SAH 5.57621
304 1O97 FAD 5.57621
305 2Z3Y F2N 5.57621
306 1O97 AMP 5.57621
307 4TM3 FAD 5.57621
308 2FR1 NDP 5.57621
309 1TPY SAH 5.57621
310 5Z2F PDC 5.66038
311 3RKR NAP 5.72519
312 4NAE 1GP 5.77778
313 3BXO SAM 5.85774
314 3RUV ANP 5.89319
315 6FDF SAH 5.94796
316 6ECT SAM 5.94796
317 1PR9 NAP 5.94796
318 5WGR FAD 5.94796
319 3D3W NAP 5.94796
320 6H3O FAD 5.94796
321 1KPH SAH 5.94796
322 1Z45 NAD 5.94796
323 4USQ FAD 5.94796
324 2RI1 GLP 5.95745
325 3DXY SAM 5.9633
326 2ZFU SAH 6.04651
327 2DTX BMA 6.06061
328 4IWN GEK 6.11354
329 1IM8 SAI 6.14754
330 1WY7 SAH 6.28019
331 5E1M PRO PRO LYS ARG ILE ALA 6.3197
332 5E1M SAH 6.3197
333 5ERG SAM 6.3197
334 4X60 3XV 6.3197
335 4X60 SFG 6.3197
336 1YXM ADE 6.3197
337 5E72 SAM 6.3197
338 3TKY SAH 6.3197
339 1JG3 ADN 6.3197
340 5VN0 FAD 6.3197
341 5VN0 NAI 6.3197
342 4D42 W0I 6.3197
343 4D42 NAP 6.3197
344 3LCC SAH 6.38298
345 3OU2 SAH 6.42202
346 4QTU SAM 6.66667
347 3QOX SAH 6.69145
348 6GKV SAH 6.69145
349 1GOJ ADP 6.69145
350 4IEE AGS 6.69145
351 2VVL FAD 6.69145
352 3RWP ABQ 6.69145
353 2VVM FAD 6.69145
354 4YNU LGC 6.69145
355 3QWI CUE 6.69145
356 3QWI NAP 6.69145
357 3GD8 GOL 6.72646
358 1RZ1 NAD 6.8323
359 3H2B SAH 6.89655
360 3CTY FAD 6.89655
361 1G6H ADP 7.00389
362 5KOK S9T 7.0632
363 5KOK SAH 7.0632
364 5KOK R9T 7.0632
365 2YX1 SFG 7.0632
366 2EG5 SAH 7.0632
367 1NV8 SAM 7.0632
368 1NV8 MEQ 7.0632
369 1KYZ SAH 7.0632
370 1KYZ FER 7.0632
371 4MIG G3F 7.0632
372 1GY8 NAD 7.0632
373 2GAG NAD 7.07071
374 2GAG FOA 7.07071
375 2UYQ SAM 7.09677
376 1XDS SAM 7.21925
377 5K7U SAM 7.43494
378 5IL1 SAM 7.43494
379 1E6E FAD 7.43494
380 1E1M NAP 7.43494
381 1E1M FAD 7.43494
382 5Y1G NAD 7.43494
383 5Y1G AKB 7.43494
384 1KPG SAH 7.43494
385 2XVM SAH 7.53769
386 3Q87 SAM 7.64706
387 1EJ0 SAM 7.77778
388 2JJQ SAH 7.80669
389 1NW5 SAM 7.80669
390 4DMG SAM 7.80669
391 1Y8Q ATP 7.80669
392 2C7G ODP 7.80669
393 2C7G FAD 7.80669
394 3A4T SFG 8.17844
395 6F5Z SAH 8.19672
396 1W8D NAP 8.27815
397 5N5D SAM 8.40708
398 2CBZ ATP 8.43882
399 5GVR LMR 8.54701
400 5WP4 SAH 8.55019
401 5GWX SAR 8.55019
402 5GWX SAM 8.55019
403 2HK9 ATR 8.55019
404 3Q9T FAY 8.55019
405 5FA8 SAM 8.69565
406 1G60 SAM 8.92193
407 3VSE SAH 8.92193
408 3SJU NDP 8.92193
409 4J1Q NDP 8.92193
410 2XFE GAL GAL 8.92857
411 4BLW AMP 8.99654
412 4BLW SAH 8.99654
413 1L1E SAH 9.05923
414 1UYY BGC BGC 9.16031
415 5WP5 SAH 9.29368
416 4M73 M72 9.29368
417 4M73 SAH 9.29368
418 4KIB SAH 9.29368
419 6C5B SAH 9.29368
420 2OBF SAH 9.29368
421 2OBF F83 9.29368
422 3GDN FAD 9.29368
423 3GDN HBX 9.29368
424 2BZG SAH 9.48276
425 3H4S ADP 9.62963
426 4BQS ADP 9.65909
427 5ICE 2H4 9.66543
428 5ICE SAH 9.66543
429 5BJX NAD 9.66543
430 5BJX UDP 9.66543
431 4II2 ATP 9.66543
432 4OBW SAM 9.66543
433 1QZZ SAM 10.0372
434 3SSO SAH 10.0372
435 3G89 SAM 10.0402
436 5ZW3 SAH 10.2222
437 3VC1 SAH 10.4089
438 3VC1 GST 10.4089
439 2F5Z FAD 10.9375
440 1Z3C SA8 11.1524
441 5YJI SAH 11.1524
442 5YJI 8WO 11.1524
443 5YJF 8WO 11.1524
444 5DLY SAH 11.1524
445 5DLY 5D7 11.1524
446 5YJF SAH 11.1524
447 2XZ9 PYR 11.1524
448 1YQZ FAD 11.5242
449 4FCW ADP 11.5242
450 2WK1 SAH 11.5242
451 3MB5 SAM 11.8959
452 3CBG SAH 11.8959
453 4AG5 ADP 11.9898
454 2OBM ADP 12.2677
455 1Y7P RIP 12.5561
456 5HJM MTA 12.6394
457 5DM1 5D7 13.0112
458 5DM1 SAH 13.0112
459 2V7Q ADP 13.0137
460 4HSU FAD 13.3333
461 1VBH PEP 13.7546
462 4O0L NDP 14.1264
463 5MW4 5JU 14.8699
464 1XG5 NAP 14.8699
465 5TVI O8N 15.2174
466 4UCI SAM 15.2416
467 2XYQ SAH 15.5738
468 5K4G ASP 15.6134
469 3TLJ SAH 15.9851
470 2EFJ SAH 15.9851
471 4E70 N7I 15.9851
472 5FUB SAH 20.4461
473 3MCT SAH 23.4201
474 3MAG SAH 23.4201
475 4GQB 0XU 27.2727
476 4M38 SAH 28.5714
477 5FA5 MTA 30
Pocket No.: 4; Query (leader) PDB : 2PX8; Ligand: MGT; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 2px8.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5HZ9 5M8 None
2 1F0X FAD 2.60223
3 4MO2 FAD 2.97398
4 3IS2 FAD 4.54545
5 3D72 FAD 4.69799
6 1LVL FAD 5.57621
7 2XMY CDK 6.3197
8 3DOE GTP 7.87879
9 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 7.89474
10 1EWJ BLM 8.73016
11 5KJK 6T1 12.2677
12 5KJK SAM 12.2677
13 3L9R L9Q 15.5477
14 6GMN F4E 26.9231
Pocket No.: 5; Query (leader) PDB : 2PX8; Ligand: SAH; Similar sites found with APoc: 116
This union binding pocket(no: 5) in the query (biounit: 2px8.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4JNA FAD 1.11524
2 2PHT MAN MAN MAN 1.19048
3 1KYQ NAD 1.48699
4 2Q1S NAI 1.48699
5 4RVG SAM 1.48699
6 6DNT NAD 1.48699
7 3WV8 ATP 1.83486
8 6B92 SAH 1.85874
9 4Z24 FAD 1.85874
10 2IVD FAD 1.85874
11 3GF4 UPG 2.23048
12 4IV9 FAD 2.23048
13 1UDB NAD 2.23048
14 1UDB UFG 2.23048
15 1BZL GCG 2.23048
16 2NPX NAD 2.23048
17 2NPX FAD 2.23048
18 3BP1 GUN 2.23048
19 4NTC FAD 2.23048
20 1FEC FAD 2.23048
21 3GEG NAD 2.42915
22 3A25 SAM 2.60223
23 3QJ4 FAD 2.60223
24 1FP2 HMO 2.60223
25 5J5Z FAD 2.60223
26 2CDN ADP 2.60223
27 4AP3 NAP 2.60223
28 4AP3 FAD 2.60223
29 5ZIC BMA Z4Y NAG 2.60223
30 3ICT FAD 2.89116
31 3ICR FAD 2.89116
32 3ICS FAD 2.89116
33 5EB4 FAD 2.97398
34 4MO2 FAD 2.97398
35 3UCL NAP 2.97398
36 5HSA FAS 2.97398
37 1WVG APR 2.97398
38 2A8X FAD 2.97398
39 2Q7V FAD 2.97398
40 2BMB PMM 2.97398
41 1KEW NAD 3.3241
42 5NII FAD 3.34572
43 5BUK FAD 3.34572
44 5J7X FAD 3.34572
45 6GNA FAD 3.34572
46 5JCA FAD 3.71747
47 2R4J 13P 3.71747
48 2R4J FAD 3.71747
49 5JCA NDP 3.71747
50 1GPE FAD 3.71747
51 5N0J FAD 3.71747
52 1QO8 FAD 3.71747
53 5K0A FAD 3.71747
54 1JQD HSM 3.71747
55 1IY8 NAD 3.74532
56 5KJW 53C 4.08922
57 6ER9 FAD 4.08922
58 6ER9 NAP 4.08922
59 1REO FAD 4.08922
60 4CNK FAD 4.08922
61 4ZCC NAI 4.08922
62 4ZCC FAD 4.08922
63 5J60 FAD 4.08922
64 1ZIN AP5 4.14747
65 4REP FAD 4.46097
66 4RDH AMP 4.46097
67 4RDI ATP 4.46097
68 3FUU ADN 4.46097
69 5G3U ITW 4.46097
70 5G3U FDA 4.46097
71 5NMX FAD 4.46097
72 1RJW ETF 4.83271
73 6GAS FAD 4.83271
74 2CDU FAD 4.83271
75 5JWC FAD 4.83271
76 3AD8 FAD 5.05051
77 3AD8 PYC 5.05051
78 2Q0L FAD 5.20446
79 4ZRN NAD 5.20446
80 4ZRN UPG 5.20446
81 1NAA 6FA 5.20446
82 6GAR FAD 5.57621
83 4HA6 FAD 5.57621
84 1ZK7 FAD 5.57621
85 5WHT SIA GAL GLC 5.7971
86 3R51 MMA 5.94796
87 1I8T FAD 5.94796
88 1W5T ADP 5.94796
89 4BJZ P3A 5.94796
90 4BJZ FAD 5.94796
91 2FK8 SAM 6.3197
92 2WET FAD 6.69145
93 4USR FAD 6.69145
94 3AB4 THR 6.69145
95 4MKF AP5 6.91244
96 4D1J DGJ 7.0632
97 6F7L FAD 7.0632
98 5T63 ALA ALA ALA ALA 7.0632
99 2GAG FAD 7.07071
100 1UAY ADN 7.43494
101 3QVP FAD 7.43494
102 1ELI PYC 7.43494
103 2XVE FAD 7.80669
104 2XVF FAD 7.80669
105 5CK5 GDP 8.17844
106 4MKG AP5 8.29493
107 5WS9 AMP 8.92193
108 1H82 GZZ 9.66543
109 1H82 FAD 9.66543
110 4CS9 AMP 10.4089
111 4NU0 AP5 10.5991
112 3G5S FAD 13.3829
113 2IID PHE 13.7546
114 2IID FAD 13.7546
115 2GMH FAD 14.8699
116 2YG3 FAD 19.3309
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