Receptor
PDB id Resolution Class Description Source Keywords
2g72 2 Å EC: 2.1.1.28 STRUCTURE OF HPNMT WITH INHIBITOR 3-FLUOROMETHYL-7- THIOMORPHOLINOSULFONAMIDE-THIQ AND ADOMET HOMO SAPIENS METHYLTRANSFERASE TRANSFERASE
Ref.: ENZYME ADAPTATION TO INHIBITOR BINDING: A CRYPTIC B SITE IN PHENYLETHANOLAMINE N-METHYLTRANSFERASE J.MED.CHEM. V. 50 4845 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F21 A:4001;
B:4002;
 Valid;
Valid;
 none;
none;
 Ki = 315 nM
330.441 C14 H19 F N2 O2 S2 c1cc2...
SAM A:2001;
B:2002;
 Valid;
Valid;
 none;
none;
 submit data
398.437 C15 H22 N6 O5 S C[S@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OBF 2.3 Å EC: 2.1.1.28 STRUCTURE OF K57A HPNMT WITH INHIBITOR 3-HYDROXYMETHYL-7-(N- CHLOROPHENYLAMINOSULFONYL)-THIQ AND ADOHCY (SAH) HOMO SAPIENS METHYLTRANSFERASE TRANSFERASE
Ref.: ENZYME ADAPTATION TO INHIBITOR BINDING: A CRYPTIC B SITE IN PHENYLETHANOLAMINE N-METHYLTRANSFERASE J.MED.CHEM. V. 50 4845 2007
Members (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3KPV Kd = 180 uM ADE C5 H5 N5 c1[nH]c2c(....
2 3KQV - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3KR2 Kd = 7.2 uM ET2 C7 H6 F N3 c1cc2c(cc1....
4 3KQY Kd = 15 uM ES0 C7 H7 N3 O c1cc2c(c(c....
5 3KQP Kd = 380 uM ES5 C9 H8 N2 c1cc2cc(cc....
6 2G70 Ki = 17 nM HNT C10 H12 N2 O3 c1cc2c(cc1....
7 3KQS Kd = 6.3 uM AX7 C7 H7 N3 c1ccc2c(c1....
8 3KQO Kd = 140 uM ES4 C5 H3 Cl N4 c1[nH]c2c(....
9 3HCD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 2G8N Ki = 0.063 uM F83 C16 H17 Cl N2 O3 S c1cc(ccc1N....
11 3HCB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 3HCC Ki = 13 uM LT3 C12 H12 F3 N c1cc2c(c(c....
13 3KQW Kd = 97 uM ES9 C7 H5 Cl N2 c1cc2c(cc1....
14 2G72 Ki = 315 nM F21 C14 H19 F N2 O2 S2 c1cc2c(cc1....
15 3KQQ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 3HCA - OTR C8 H11 N O2 c1cc(ccc1[....
17 3KPU Kd = 690 uM ES1 C9 H7 N O c1ccc2c(c1....
18 1YZ3 Ki = 1.55 nM SKA C9 H9 Cl2 N c1cc(c(c2c....
19 2AN4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
20 2G71 Ki = 35 nM FTS C13 H16 F4 N2 O2 S c1cc2c(cc1....
21 1HNN Ki = 0.58 uM SKF C9 H12 N2 O2 S c1cc2c(cc1....
22 3KPW Kd = 14 uM 1SQ C9 H8 N2 c1ccc2c(c1....
23 3KR1 Kd = 1.8 uM VGD C7 H6 Cl N3 c1cc2c(cc1....
24 2AN3 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
25 3KPJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
26 3KQT Kd = 4.6 uM ES7 C8 H9 N3 Cn1c2ccccc....
27 2OBF Ki = 1.4 nM F83 C16 H17 Cl N2 O3 S c1cc(ccc1N....
28 2AN5 Ki = 2.1 uM TTL C10 H13 N O c1ccc2c(c1....
29 3KQM Kd = 170 uM ES3 C3 H3 Br N2 c1c(nc[nH]....
30 3KPY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3KPV Kd = 180 uM ADE C5 H5 N5 c1[nH]c2c(....
2 3KQV - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3KR2 Kd = 7.2 uM ET2 C7 H6 F N3 c1cc2c(cc1....
4 3KQY Kd = 15 uM ES0 C7 H7 N3 O c1cc2c(c(c....
5 3KQP Kd = 380 uM ES5 C9 H8 N2 c1cc2cc(cc....
6 2G70 Ki = 17 nM HNT C10 H12 N2 O3 c1cc2c(cc1....
7 3KQS Kd = 6.3 uM AX7 C7 H7 N3 c1ccc2c(c1....
8 3KQO Kd = 140 uM ES4 C5 H3 Cl N4 c1[nH]c2c(....
9 3HCD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 2G8N Ki = 0.063 uM F83 C16 H17 Cl N2 O3 S c1cc(ccc1N....
11 3HCB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 3HCC Ki = 13 uM LT3 C12 H12 F3 N c1cc2c(c(c....
13 3KQW Kd = 97 uM ES9 C7 H5 Cl N2 c1cc2c(cc1....
14 2G72 Ki = 315 nM F21 C14 H19 F N2 O2 S2 c1cc2c(cc1....
15 3KQQ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 3HCA - OTR C8 H11 N O2 c1cc(ccc1[....
17 3KPU Kd = 690 uM ES1 C9 H7 N O c1ccc2c(c1....
18 1YZ3 Ki = 1.55 nM SKA C9 H9 Cl2 N c1cc(c(c2c....
19 2AN4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
20 2G71 Ki = 35 nM FTS C13 H16 F4 N2 O2 S c1cc2c(cc1....
21 1HNN Ki = 0.58 uM SKF C9 H12 N2 O2 S c1cc2c(cc1....
22 3KPW Kd = 14 uM 1SQ C9 H8 N2 c1ccc2c(c1....
23 3KR1 Kd = 1.8 uM VGD C7 H6 Cl N3 c1cc2c(cc1....
24 2AN3 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
25 3KPJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
26 3KQT Kd = 4.6 uM ES7 C8 H9 N3 Cn1c2ccccc....
27 2OBF Ki = 1.4 nM F83 C16 H17 Cl N2 O3 S c1cc(ccc1N....
28 2AN5 Ki = 2.1 uM TTL C10 H13 N O c1ccc2c(c1....
29 3KQM Kd = 170 uM ES3 C3 H3 Br N2 c1c(nc[nH]....
30 3KPY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3KPV Kd = 180 uM ADE C5 H5 N5 c1[nH]c2c(....
2 3KQV - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3KR2 Kd = 7.2 uM ET2 C7 H6 F N3 c1cc2c(cc1....
4 3KQY Kd = 15 uM ES0 C7 H7 N3 O c1cc2c(c(c....
5 3KQP Kd = 380 uM ES5 C9 H8 N2 c1cc2cc(cc....
6 2G70 Ki = 17 nM HNT C10 H12 N2 O3 c1cc2c(cc1....
7 3KQS Kd = 6.3 uM AX7 C7 H7 N3 c1ccc2c(c1....
8 3KQO Kd = 140 uM ES4 C5 H3 Cl N4 c1[nH]c2c(....
9 3HCD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 2G8N Ki = 0.063 uM F83 C16 H17 Cl N2 O3 S c1cc(ccc1N....
11 3HCB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 3HCC Ki = 13 uM LT3 C12 H12 F3 N c1cc2c(c(c....
13 3KQW Kd = 97 uM ES9 C7 H5 Cl N2 c1cc2c(cc1....
14 2G72 Ki = 315 nM F21 C14 H19 F N2 O2 S2 c1cc2c(cc1....
15 3KQQ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 3HCA - OTR C8 H11 N O2 c1cc(ccc1[....
17 3KPU Kd = 690 uM ES1 C9 H7 N O c1ccc2c(c1....
18 1YZ3 Ki = 1.55 nM SKA C9 H9 Cl2 N c1cc(c(c2c....
19 2AN4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
20 2G71 Ki = 35 nM FTS C13 H16 F4 N2 O2 S c1cc2c(cc1....
21 1HNN Ki = 0.58 uM SKF C9 H12 N2 O2 S c1cc2c(cc1....
22 3KPW Kd = 14 uM 1SQ C9 H8 N2 c1ccc2c(c1....
23 3KR1 Kd = 1.8 uM VGD C7 H6 Cl N3 c1cc2c(cc1....
24 2AN3 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
25 3KPJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
26 3KQT Kd = 4.6 uM ES7 C8 H9 N3 Cn1c2ccccc....
27 2OBF Ki = 1.4 nM F83 C16 H17 Cl N2 O3 S c1cc(ccc1N....
28 2AN5 Ki = 2.1 uM TTL C10 H13 N O c1ccc2c(c1....
29 3KQM Kd = 170 uM ES3 C3 H3 Br N2 c1c(nc[nH]....
30 3KPY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
31 5XVK ic50 = 9 uM 8GC C7 H9 N2 O C[n+]1cccc....
32 2A14 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F21; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 F21 1 1
2 FTS 0.473684 0.825397
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 : 2OBF; Ligand: F83; Similar sites found: 148
This union binding pocket(no: 1) in the query (biounit: 2obf.bio3) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PBG BGP 0.04368 0.40964 1.7301
2 3OU2 SAH 0.000005721 0.54143 1.83486
3 1G60 SAM 0.001332 0.4589 1.92308
4 4NBU NAI 0.003954 0.4088 2
5 1YXM ADE 0.003092 0.47553 2.07612
6 1G55 SAH 0.0008364 0.46824 2.07612
7 3LKZ SFG 0.003211 0.44126 2.07612
8 2P41 SAH 0.00589 0.43243 2.07612
9 3VC1 GST 0.0004685 0.42171 2.07612
10 3FPF TNA 0.0005585 0.42138 2.07612
11 3FPF MTA 0.0005585 0.42138 2.07612
12 4TO8 FLC 0.02364 0.41626 2.07612
13 3VC1 SAH 0.0004685 0.41333 2.07612
14 4YMH SAH 0.008082 0.41962 2.08333
15 1ZQ9 SAM 0.003995 0.44038 2.10526
16 1H5Q NAP 0.005214 0.40644 2.26415
17 4NEC SAH 0.000108 0.52476 2.27273
18 1GEG NAD 0.005427 0.40575 2.34375
19 3FGZ BEF 0.04327 0.4001 2.34375
20 1SQF SAM 0.001479 0.4607 2.42215
21 4M73 M72 0.0002006 0.44191 2.42215
22 3M6W SAM 0.009322 0.42984 2.42215
23 1W8D NAP 0.006581 0.41495 2.42215
24 4M73 SAH 0.0002749 0.41251 2.42215
25 3VYW SAM 0.01193 0.41192 2.42215
26 1W73 NAP 0.00833 0.41054 2.42215
27 2B96 ANN 0.01559 0.40663 2.43902
28 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 0.02711 0.41712 2.5641
29 3FUU ADN 0.01175 0.41518 2.58303
30 2FK8 SAM 0.0005449 0.47273 2.76817
31 1JQD HSM 0.0002591 0.468 2.76817
32 1JQD SAH 0.0002489 0.45868 2.76817
33 2Q1A 2KT 0.007605 0.4567 2.76817
34 3TLJ SAH 0.00266 0.43496 2.76817
35 2BD0 NAP 0.001471 0.42295 2.76817
36 5DXA SFG 0.005538 0.42103 2.76817
37 2GN3 MAN 0.04967 0.40012 2.77778
38 1L1E SAH 0.0007309 0.46695 2.78746
39 1KPG SAH 0.000612 0.46656 2.78746
40 1QAN SAH 0.0008954 0.45922 2.86885
41 3EGI ADP 0.01312 0.44248 2.91262
42 4IBF 1D5 0.03143 0.40688 3.10078
43 3LST SAH 0.001384 0.47505 3.11419
44 3ABI NAD 0.00165 0.42621 3.11419
45 5KOK S9T 0.0003123 0.40518 3.11419
46 2I7C AAT 0.003519 0.40614 3.18021
47 3MQ2 SAH 0.0002808 0.49943 3.21101
48 3DXY SAM 0.001059 0.48583 3.21101
49 3G89 SAM 0.00003622 0.55421 3.21285
50 1EOC 4NC 0.0323 0.41308 3.34928
51 3G2O SAM 0.0001597 0.50619 3.46021
52 3A25 SAM 0.008312 0.42536 3.46021
53 3S1S SAH 0.005786 0.42019 3.46021
54 1VE3 SAM 0.0002601 0.49622 3.52423
55 3D3W NAP 0.004735 0.40127 3.68852
56 1UAY ADN 0.04102 0.40099 3.71901
57 4KXQ APR 0.01072 0.41118 3.91459
58 3GDH SAH 0.003014 0.42954 4.14938
59 3DMH SAM 0.004269 0.43221 4.15225
60 3DMH GMP 0.004086 0.41565 4.15225
61 1FK8 NAD 0.008967 0.40658 4.28016
62 5ICK FEZ 0.01617 0.41169 4.36681
63 2VDV SAM 0.0003666 0.50392 4.47154
64 2UYQ SAM 0.00376 0.46744 4.49827
65 2YX1 SFG 0.009953 0.4321 4.49827
66 4DMG SAM 0.01866 0.42191 4.49827
67 3FZG SAM 0.002193 0.46069 4.5
68 3RKR NAP 0.0005865 0.50449 4.58015
69 3SJU NDP 0.00292 0.41393 4.6595
70 3Q87 SAM 0.005688 0.42052 4.8
71 3GXO SAH 0.0007149 0.48455 4.84429
72 2JJQ SAH 0.0009834 0.48248 4.84429
73 2Q28 ADP 0.01204 0.41468 4.84429
74 5JE0 AZ8 0.00002509 0.4316 4.8583
75 5JE0 SAH 0.00002509 0.4316 4.8583
76 3P2E SAH 0.0002574 0.48748 4.88889
77 4CQM NAP 0.007481 0.40023 4.91803
78 4NV1 TYD 0.0243 0.42114 4.93827
79 3PFG TLO 0.0002001 0.43431 4.94297
80 3TDC 0EU 0.006945 0.42937 5.19031
81 4Z28 BTN 0.01736 0.42735 5.22388
82 4FN4 NAD 0.002546 0.41876 5.51181
83 5X62 SAH 0.0002209 0.50443 5.53633
84 2JAH NDP 0.006215 0.40115 5.66802
85 3WMX NAD 0.008274 0.40076 5.88235
86 4JNJ BTN 0.01757 0.41968 6.08696
87 5JJR SAH 0.003571 0.44268 6.22837
88 5MPT SAH 0.0000004229 0.42641 6.22837
89 3MB5 SAM 0.0006564 0.46152 6.27451
90 5DM1 5D7 0.0002882 0.41803 6.36704
91 5DM1 SAH 0.0002685 0.41723 6.36704
92 4M38 SAH 0.001301 0.45561 6.57439
93 2IZ1 ATR 0.007372 0.45514 6.57439
94 1F3L SAH 0.003087 0.4353 6.57439
95 1VBJ CIT 0.04448 0.41053 6.57439
96 5FTW SAH 0.0002421 0.48869 6.64062
97 5E8J SAH 0.00002971 0.55851 6.81818
98 3BGD SAH 0.002708 0.43462 6.92042
99 3A27 SAM 0.006695 0.4298 6.92042
100 3BGD PM6 0.002809 0.4223 6.92042
101 1E5Q NDP 0.003898 0.41392 7.26644
102 2XYQ SAH 0.006555 0.43023 7.37705
103 1R18 SAH 0.001268 0.45249 7.48899
104 5GM1 SAH 0.0001384 0.49105 7.61246
105 4A6D SAM 0.001721 0.45377 7.61246
106 5JGL SAM 0.000002093 0.40052 7.61246
107 2NXE SAM 0.006228 0.43128 7.87402
108 3EGV SAH 0.02117 0.40912 7.87402
109 2O07 MTA 0.001739 0.43081 7.95848
110 2O07 SPD 0.001982 0.42306 7.95848
111 4E70 N7I 0.003912 0.41138 7.95848
112 3A4T SFG 0.00358 0.43243 8.0292
113 1Q7B NAP 0.001762 0.42509 8.19672
114 1XDS SAM 0.0001989 0.51721 8.3045
115 1QZZ SAM 0.0006661 0.49095 8.3045
116 5THZ SAH 0.0000009469 0.43525 8.3045
117 5THY SAH 0.0000004717 0.43176 8.3045
118 4OBW SAM 0.0001786 0.5039 8.56031
119 4R6W SAH 0.0000164 0.49774 8.91473
120 4R6W PC 0.00003758 0.42495 8.91473
121 2JHP SAH 0.01301 0.41935 8.99654
122 2JHP GUN 0.01591 0.41773 8.99654
123 4KYK IMN 0.02457 0.41938 9.23913
124 4AZT SAM 0.0003085 0.49274 9.34256
125 1P77 ATR 0.02855 0.42376 9.55882
126 2ZWA SAH 0.00005165 0.5143 9.68858
127 2IF8 ADP 0.0344 0.41925 9.68858
128 5GWX SAR 0.0001822 0.47434 9.85915
129 5GWX SAM 0.0001822 0.47434 9.85915
130 1JG3 ADN 0.002641 0.44884 10.2128
131 4ONQ SFG 0.00056 0.48055 11.4187
132 2PXX SAH 0.000008277 0.56073 11.6279
133 5IL1 SAM 0.0114 0.41888 11.7647
134 4N14 WR7 0.01516 0.41063 11.7647
135 4QTU SAM 0.00001765 0.54556 11.8519
136 1N2X SAM 0.00318 0.43157 12.1107
137 1IM8 SAI 0.0002792 0.48588 12.2951
138 4O0L NDP 0.00538 0.40359 12.3636
139 5MW4 5JU 0.0009425 0.40331 13.1488
140 1Z3C SA8 0.00007465 0.40974 13.4948
141 5HJM MTA 0.005359 0.43097 13.8408
142 3OFK SAH 0.0005775 0.46769 14.8148
143 2EG5 SAH 0.0003123 0.50741 15.2249
144 2EJU SAH 0.006572 0.43018 15.2249
145 1XCL SAH 0.0008671 0.43174 22.1277
146 5E1M SAH 0.00009147 0.42128 23.6515
147 5E1M PRO PRO LYS ARG ILE ALA 0.00009147 0.42128 23.6515
148 3ZC7 ATP 0.0213 0.41545 26.9841
Pocket No.: 2; Query (leader) PDB : 2OBF; Ligand: SAH; 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: 2obf.bio3) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2OBF; Ligand: SAH; Similar sites found: 86
This union binding pocket(no: 3) in the query (biounit: 2obf.bio3) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OU2 SAH 0.000005721 0.54143 1.83486
2 1YXM ADE 0.003092 0.47553 2.07612
3 3LKZ SFG 0.003211 0.44126 2.07612
4 3FPF MTA 0.0005585 0.42138 2.07612
5 3FPF TNA 0.0005585 0.42138 2.07612
6 4TO8 FLC 0.02364 0.41626 2.07612
7 3VC1 GST 0.0004685 0.41333 2.07612
8 3VC1 SAH 0.0004685 0.41333 2.07612
9 4YMH SAH 0.008082 0.41962 2.08333
10 1H5Q NAP 0.005214 0.40644 2.26415
11 1GEG NAD 0.005427 0.40575 2.34375
12 4M73 M72 0.0002006 0.41869 2.42215
13 4M73 SAH 0.0002749 0.41251 2.42215
14 3VYW SAM 0.01193 0.41192 2.42215
15 1W73 NAP 0.00833 0.41054 2.42215
16 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 0.02711 0.41712 2.5641
17 3TLJ SAH 0.00266 0.43496 2.76817
18 5DXA SFG 0.005538 0.42103 2.76817
19 1L1E SAH 0.0007309 0.46695 2.78746
20 1QAN SAH 0.0008954 0.45922 2.86885
21 3EGI ADP 0.01312 0.44248 2.91262
22 5KOK S9T 0.0003123 0.40518 3.11419
23 2I7C AAT 0.001992 0.41312 3.18021
24 3MQ2 SAH 0.0002808 0.49943 3.21101
25 3DXY SAM 0.001059 0.48583 3.21101
26 1VE3 SAM 0.0002601 0.49622 3.52423
27 3GDH SAH 0.003014 0.42954 4.14938
28 5ICK FEZ 0.01617 0.41169 4.36681
29 2VDV SAM 0.0003666 0.50392 4.47154
30 2UYQ SAM 0.00376 0.46744 4.49827
31 4DMG SAM 0.01866 0.42191 4.49827
32 3SJU NDP 0.00292 0.41393 4.6595
33 5JE0 AZ8 0.00002509 0.4316 4.8583
34 5JE0 SAH 0.00002509 0.4316 4.8583
35 4CQM NAP 0.007481 0.40023 4.91803
36 4NV1 TYD 0.0243 0.42114 4.93827
37 4Z28 BTN 0.01736 0.42735 5.22388
38 5X62 SAH 0.0002209 0.50443 5.53633
39 2JAH NDP 0.006215 0.40115 5.66802
40 3WMX NAD 0.008274 0.40076 5.88235
41 4JNJ BTN 0.01757 0.41968 6.08696
42 5JJR SAH 0.003571 0.44268 6.22837
43 5MPT SAH 0.0000004229 0.42641 6.22837
44 5DM1 5D7 0.0002882 0.41803 6.36704
45 5DM1 SAH 0.0002685 0.41723 6.36704
46 1F3L SAH 0.003087 0.4353 6.57439
47 5FTW SAH 0.0002421 0.48869 6.64062
48 5E8J SAH 0.00002971 0.55851 6.81818
49 3BGD SAH 0.002708 0.43462 6.92042
50 3BGD PM6 0.002809 0.4223 6.92042
51 1E5Q NDP 0.003898 0.41392 7.26644
52 5GM1 SAH 0.0001384 0.49105 7.61246
53 5JGL SAM 0.000002093 0.40052 7.61246
54 3EGV SAH 0.02117 0.40912 7.87402
55 3A4T SFG 0.00358 0.43243 8.0292
56 1Q7B NAP 0.001762 0.42509 8.19672
57 1XDS SAM 0.0001989 0.51721 8.3045
58 1QZZ SAM 0.0006661 0.49095 8.3045
59 5THZ SAH 0.0000009469 0.43525 8.3045
60 5THY SAH 0.0000004717 0.43176 8.3045
61 4OBW SAM 0.0001786 0.5039 8.56031
62 4R6W SAH 0.0000164 0.49774 8.91473
63 4R6W PC 0.00003758 0.42495 8.91473
64 2JHP SAH 0.01301 0.41935 8.99654
65 2JHP GUN 0.01591 0.41773 8.99654
66 4KYK IMN 0.02457 0.41938 9.23913
67 4AZT SAM 0.0003085 0.49274 9.34256
68 1P77 ATR 0.02855 0.42376 9.55882
69 2ZWA SAH 0.00005165 0.5143 9.68858
70 5GWX SAR 0.0001822 0.47434 9.85915
71 5GWX SAM 0.0001822 0.47434 9.85915
72 4ONQ SFG 0.00056 0.48055 11.4187
73 2PXX SAH 0.000008277 0.56073 11.6279
74 5IL1 SAM 0.0114 0.41888 11.7647
75 4QTU SAM 0.00001765 0.54556 11.8519
76 1N2X SAM 0.00318 0.43157 12.1107
77 4O0L NDP 0.00538 0.40359 12.3636
78 5MW4 5JU 0.0009425 0.40331 13.1488
79 1Z3C SA8 0.00007465 0.40974 13.4948
80 5HJM MTA 0.005359 0.43097 13.8408
81 3OFK SAH 0.0005775 0.46769 14.8148
82 2EG5 SAH 0.0003123 0.50741 15.2249
83 2EJU SAH 0.006572 0.43018 15.2249
84 5E1M PRO PRO LYS ARG ILE ALA 0.00009147 0.42128 23.6515
85 5E1M SAH 0.00009147 0.42128 23.6515
86 3ZC7 ATP 0.0213 0.41545 26.9841
Pocket No.: 4; Query (leader) PDB : 2OBF; Ligand: F83; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2obf.bio3) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2OBF; Ligand: F83; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2obf.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2OBF; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2obf.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2OBF; Ligand: SAH; Similar sites found: 6
This union binding pocket(no: 7) in the query (biounit: 2obf.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q46 NAP 0.007036 0.40266 2.7668
2 1JQD SAH 0.0001891 0.40183 2.76817
3 4NBT NAD 0.006566 0.40386 3.33333
4 4V3I ASP LEU THR ARG PRO 0.02054 0.42738 3.89105
5 4IWN GEK 0.00003154 0.40297 9.60699
6 4PNE SAH 0.00006118 0.40012 21.7993
Pocket No.: 8; Query (leader) PDB : 2OBF; Ligand: F83; Similar sites found: 12
This union binding pocket(no: 8) in the query (biounit: 2obf.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4GGZ BTN 0.0398 0.40741 2.6087
2 2Q46 NAP 0.007036 0.40266 2.7668
3 2BVD ISX 0.01212 0.4052 2.82686
4 4NBT NAD 0.006566 0.40386 3.33333
5 4V3I ASP LEU THR ARG PRO 0.02054 0.42738 3.89105
6 2B4Q NAP 0.005795 0.40367 5.19031
7 3W54 RNB 0.03491 0.40372 5.53633
8 3I7V ATP 0.03432 0.40973 8.20895
9 4B6C B5U 0.03379 0.40134 9.18367
10 4IWN GEK 0.00003154 0.40297 9.60699
11 3CYQ AMU 0.04487 0.4086 12.3188
12 4PNE SAH 0.00006118 0.40012 21.7993
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