Receptor
PDB id Resolution Class Description Source Keywords
3KR1 2.3 Å EC: 2.1.1.28 CRYSTAL STRUCTURE OF HPNMT IN COMPLEX ADOHCY AND 5-CHLORO-1H BENZO[D]IMIDAZOL-2-AMINE HOMO SAPIENS METHYLTRANSFERASE FRAGMENT SCREENING CATECHOLAMINE BIOSYNTADENOSYL-L-METHIONINE TRANSFERASE
Ref.: FRAGMENT-BASED SCREENING BY X-RAY CRYSTALLOGRAPHY, ISOTHERMAL TITRATION CALORIMETRY TO IDENTIFY PNMT (PHENYLETHANOLAMINE N-METHYLTRANSFERASE) INHIBITORS BIOCHEM.J. V. 431 51 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAH A:3001;
B:3002;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
VGD A:290;
B:290;
Valid;
Valid;
none;
none;
Kd = 1.8 uM
167.596 C7 H6 Cl N3 c1cc2...
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: 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
Ligand no: 2; Ligand: VGD; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 VGD 1 1
2 ET2 0.511111 0.939394
3 AX7 0.465116 0.875
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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