Receptor
PDB id Resolution Class Description Source Keywords
1JQD 2.28 Å EC: 2.1.1.8 CRYSTAL STRUCTURE ANALYSIS OF HUMAN HISTAMINE METHYLTRANSFERASE (THR105 POLYMORPHIC VARIANT) COMPLEXED W ITH ADOHCY AND HISTAMINE HOMO SAPIENS CLASSIC METHYLTRANSFERASE FOLD PROTEIN-SUBSTRATE-COFACTOR COMPLEX
Ref.: TWO POLYMORPHIC FORMS OF HUMAN HISTAMINE METHYLTRANSFERASE: STRUCTURAL, THERMAL, AND KINETIC COMPARISONS. STRUCTURE V. 9 837 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HSM A:600;
B:601;
Valid;
Valid;
none;
none;
submit data
111.145 C5 H9 N3 c1c(n...
SAH A:400;
B:401;
Valid;
Valid;
none;
none;
Ki = 6.9 uM
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JQD 2.28 Å EC: 2.1.1.8 CRYSTAL STRUCTURE ANALYSIS OF HUMAN HISTAMINE METHYLTRANSFERASE (THR105 POLYMORPHIC VARIANT) COMPLEXED W ITH ADOHCY AND HISTAMINE HOMO SAPIENS CLASSIC METHYLTRANSFERASE FOLD PROTEIN-SUBSTRATE-COFACTOR COMPLEX
Ref.: TWO POLYMORPHIC FORMS OF HUMAN HISTAMINE METHYLTRANSFERASE: STRUCTURAL, THERMAL, AND KINETIC COMPARISONS. STRUCTURE V. 9 837 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JQD Ki = 6.9 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 2AOV Ki = 91 nM C2M C11 H10 Cl2 N4 Cc1c(c(nc(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JQD Ki = 6.9 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 2AOV Ki = 91 nM C2M C11 H10 Cl2 N4 Cc1c(c(nc(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JQD Ki = 6.9 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 2AOV Ki = 91 nM C2M C11 H10 Cl2 N4 Cc1c(c(nc(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HSM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HSM 1 1
2 AHN 0.428571 0.72973
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 : 1JQD; Ligand: HSM; Similar sites found: 1
This union binding pocket(no: 1) in the query (biounit: 1jqd.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X32 OTP 0.03804 0.41092 6.70391
Pocket No.: 2; Query (leader) PDB : 1JQD; Ligand: SAH; Similar sites found: 215
This union binding pocket(no: 2) in the query (biounit: 1jqd.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DM1 SAH 0.00001259 0.44975 None
2 5DM1 5D7 0.00001369 0.4443 None
3 1WG8 SAM 0.001162 0.40075 1.40351
4 1P1C SAH 0.0004705 0.40915 1.50754
5 3G2O SAM 0.000005416 0.55633 1.71233
6 3X0D SAH 0.00001653 0.44291 1.71233
7 4LWP SAH 0.0002491 0.40239 1.71233
8 5MBX FAD 0.01254 0.40012 1.71233
9 5MBX SP5 0.01254 0.40012 1.71233
10 5JGL SAM 0.00005976 0.41297 1.7301
11 4BLW AMP 0.003827 0.40319 1.7301
12 5ULP KB1 0.002571 0.41857 1.86567
13 4NEC SAH 0.0001487 0.50169 1.89394
14 5GM1 SAH 0.000005731 0.53249 2.05479
15 3NDJ JHZ 0.00006063 0.48754 2.05479
16 3NDJ SAH 0.00006063 0.48754 2.05479
17 4XFR CIT 0.01752 0.42768 2.05479
18 4M52 FAD 0.00326 0.41452 2.05479
19 1N2X SAM 0.0005141 0.40896 2.05479
20 4AP3 NAP 0.01032 0.40707 2.05479
21 2V3V MGD 0.01966 0.40128 2.05479
22 4K28 NAD 0.00301 0.41282 2.23048
23 3HVJ 705 0.0002321 0.45387 2.26244
24 4J4H NAI 0.0469 0.40797 2.3166
25 3MB5 SAM 0.00008039 0.43512 2.35294
26 3FRH SAH 0.0003512 0.41435 2.37154
27 2Q1S NAI 0.001047 0.43506 2.39726
28 3NJ4 NAD 0.01712 0.41936 2.39726
29 3OND ADN 0.00608 0.40825 2.39726
30 3OND NAD 0.00608 0.40825 2.39726
31 1N4W FAD 0.006254 0.40424 2.39726
32 5JCJ 6JM 0.01808 0.42245 2.43056
33 3T7S SAM 0.000003854 0.45844 2.61194
34 5DXA SFG 0.001045 0.43801 2.73973
35 5DX8 SFG 0.001232 0.43503 2.73973
36 5DX0 SFG 0.0005029 0.41674 2.73973
37 5DWQ SFG 0.0005423 0.41199 2.73973
38 1V59 FAD 0.005995 0.40677 2.73973
39 4EIP K2C 0.007594 0.40352 2.73973
40 1RJD SAM 0.000472 0.40259 2.73973
41 5DX1 SFG 0.001409 0.40193 2.73973
42 4EIP FAD 0.007679 0.40159 2.73973
43 2IVD FAD 0.005183 0.40041 2.73973
44 2OBF F83 0.0002489 0.45868 2.76817
45 2OBF SAH 0.0001891 0.40183 2.76817
46 2PXX SAH 0.00003573 0.42982 2.7907
47 3LCV SAM 0.0004494 0.41064 2.84698
48 3LCC SAH 0.00004733 0.41585 2.97872
49 3NZ1 3NY 0.0499 0.40588 3.06513
50 1Z3C SA8 0.00004965 0.46917 3.08219
51 2O07 SPD 0.001104 0.41848 3.08219
52 2O07 MTA 0.001022 0.41316 3.08219
53 2QA1 FAD 0.002853 0.40929 3.08219
54 2ZWA SAH 0.0005727 0.40442 3.08219
55 2ZIF SAM 0.0002896 0.40314 3.08219
56 2RAB NAD 0.01659 0.40156 3.08219
57 1R18 SAH 0.0006008 0.40067 3.0837
58 3A4T SFG 0.0006482 0.40387 3.28467
59 4YMH SAH 0.0029 0.42598 3.33333
60 4PIO SAH 0.0006027 0.43398 3.42466
61 4PIO AVI 0.0006307 0.43189 3.42466
62 4RVG SAM 0.00003758 0.41891 3.42466
63 4RVG TYD 0.0000414 0.41027 3.42466
64 5LD5 NAD 0.005404 0.40816 3.42466
65 2DKH FAD 0.004313 0.4 3.42466
66 3H2B SAH 0.00000152 0.47472 3.44828
67 3FZG SAM 0.00008212 0.51383 3.5
68 1XTP SAI 0.0000008087 0.47505 3.54331
69 2VDV SAM 0.0001027 0.51499 3.65854
70 3DXY SAM 0.000008408 0.41726 3.66972
71 3GDH SAH 0.001023 0.40261 3.73444
72 5E9W SAH 0.000006806 0.42433 3.76712
73 5M67 3D1 0.00636 0.40829 3.76712
74 5M67 NAD 0.006497 0.40792 3.76712
75 3O7W SAM 0.00003797 0.4074 3.76712
76 5M67 ADE 0.007036 0.40652 3.76712
77 4OPC FDA 0.02662 0.405 4.10959
78 4OPC PGT 0.03455 0.40271 4.10959
79 3OFK SAH 0.0001009 0.48479 4.16667
80 2V6O FAD 0.02096 0.40063 4.19463
81 3FUU ADN 0.00006703 0.42339 4.42804
82 5KOK SAH 0.00005693 0.50503 4.45205
83 3DMH SAM 0.0003401 0.46641 4.45205
84 4AZT SAM 0.00000376 0.45833 4.45205
85 4AZW SAM 0.00001269 0.44847 4.45205
86 3G89 SAM 0.000001648 0.44479 4.45205
87 3DMH GMP 0.0004262 0.44032 4.45205
88 5JJR SAH 0.002384 0.43693 4.45205
89 5KOK S9T 0.0001332 0.43371 4.45205
90 2EFJ SAH 0.00001584 0.42932 4.45205
91 5KOK R9T 0.001185 0.40509 4.45205
92 2BRY FAD 0.003551 0.40323 4.45205
93 1V8B NAD 0.004468 0.4029 4.45205
94 4RDH AMP 0.001885 0.44973 4.51389
95 3PFG TLO 0.00005201 0.48305 4.56274
96 2A14 SAH 0.00008006 0.432 4.56274
97 4XUC SAM 0.0004465 0.43898 4.58716
98 4XUC 43G 0.0004465 0.43898 4.58716
99 4D79 ATP 0.002724 0.43432 4.71014
100 5X62 SAH 0.000006485 0.55912 4.79452
101 5THY SAH 0.00002296 0.51721 4.79452
102 2FK8 SAM 0.000001365 0.48103 4.79452
103 1G55 SAH 0.0005067 0.46301 4.79452
104 5THZ SAH 0.00007889 0.43922 4.79452
105 5F2K SAH 0.001001 0.42289 4.79452
106 5F2K OCA 0.001001 0.42289 4.79452
107 5DNK SAH 0.00001087 0.40917 4.79452
108 5FA8 SAM 0.000614 0.44767 4.96894
109 1I9G SAM 0.0001333 0.42029 5
110 3BGD PM6 0.0008564 0.41619 5
111 3TKY SAH 0.00008553 0.42165 5.13699
112 1YKJ FAD 0.00793 0.41313 5.13699
113 4E70 N7I 0.001605 0.41236 5.13699
114 4K5S PM0 0.006307 0.40844 5.13699
115 3ELW SAM 0.00439 0.40843 5.13699
116 3ELW GP3 0.005074 0.40691 5.13699
117 4K5S FAD 0.002851 0.40687 5.13699
118 3AYI HCI 0.008988 0.40532 5.13699
119 3AYI FAD 0.008614 0.40532 5.13699
120 3U31 NAD 0.008255 0.40327 5.17241
121 5M58 SAH 0.00001998 0.43909 5.21739
122 4KRG SAH 0.000004626 0.45266 5.47945
123 2EG5 SAH 0.000006706 0.43096 5.47945
124 4YNU FAD 0.00618 0.40535 5.47945
125 4YNU LGC 0.007984 0.4043 5.47945
126 1F3L SAH 0.0007149 0.40263 5.47945
127 1NV8 MEQ 0.0003888 0.42801 5.6338
128 1NV8 SAM 0.000508 0.42748 5.6338
129 5DLY SAH 0.00002232 0.44559 5.6391
130 5DLY 5D7 0.00002487 0.43506 5.6391
131 5FA5 MTA 0.0016 0.45308 5.82192
132 4D04 NAP 0.003691 0.42696 5.82192
133 4GQB 0XU 0.0004259 0.41577 5.82192
134 4JNA FAD 0.007544 0.40008 5.82192
135 4XZ3 COA 0.006825 0.40391 6.08696
136 3UCL NAP 0.01403 0.40581 6.16438
137 3UCL CYH 0.01413 0.4039 6.16438
138 3UCL FAD 0.01413 0.4039 6.16438
139 3IHG FAD 0.003288 0.40196 6.16438
140 1XDS SAM 0.00009714 0.40095 6.16438
141 5HJM MTA 0.001187 0.44665 6.50685
142 4C4A SAH 0.00002946 0.43544 6.50685
143 2PT9 2MH 0.001589 0.41784 6.54206
144 1JG3 ADN 0.0001737 0.40761 6.80851
145 2ZFU SAH 0.0003184 0.40543 6.97674
146 5GWX SAR 0.0001143 0.46625 7.04225
147 5GWX SAM 0.0001143 0.46625 7.04225
148 3VC1 GST 0.000007805 0.51537 7.19178
149 3VC1 SAH 0.000007805 0.51537 7.19178
150 4PNE SAH 0.00003018 0.44985 7.19178
151 1JQ3 AAT 0.001637 0.41608 7.19178
152 1ELI PYC 0.003878 0.40747 7.19178
153 4QTU SAM 0.000001262 0.47681 7.21154
154 2I7C AAT 0.001573 0.41674 7.42049
155 5JE8 NAD 0.006139 0.40584 7.53425
156 4OBW SAM 0.00007502 0.41907 7.7821
157 5FTW SAH 0.0002433 0.47272 7.8125
158 4M73 SAH 0.000003156 0.5247 7.87671
159 4M73 M72 0.000004484 0.52036 7.87671
160 4DMG SAM 0.008879 0.42559 7.87671
161 3P2E SAH 0.00008427 0.42706 8
162 4KIB SAH 0.00007365 0.40949 8.21918
163 1REO FAD 0.006366 0.40009 8.21918
164 3JWH SAH 0.0000003061 0.4594 8.75576
165 3FPF MTA 0.0003515 0.44931 8.90411
166 3FPF TNA 0.0003515 0.40262 8.90411
167 2GAG NAD 0.00405 0.40566 9.24658
168 5MGZ SAH 0.00001356 0.53262 9.32203
169 2NXE SAM 0.0001886 0.4082 9.44882
170 5T67 JHZ 0.00005738 0.48737 9.58904
171 5T67 SAH 0.0000793 0.47586 9.58904
172 4Y2H 49K 0.001987 0.4199 9.58904
173 4Y2H SAH 0.002369 0.4169 9.58904
174 3G5S FAD 0.005647 0.40004 9.58904
175 3BXO SAM 0.000003536 0.44085 9.62343
176 3LST SAH 0.0001136 0.51289 9.93151
177 5BW4 SAM 0.00000487 0.44434 10.1124
178 5JE0 AZ8 0.000007518 0.50183 10.1215
179 5JE0 SAH 0.000007518 0.50183 10.1215
180 1QAN SAH 0.0002837 0.41271 10.2459
181 1G8K MGD 0.01297 0.40725 10.5263
182 3I53 SAH 0.0002512 0.41144 10.8434
183 5XVQ SAH 0.00005908 0.49016 10.9155
184 1DL5 SAH 0.0007565 0.41546 10.9589
185 5E1M SAH 0.000002249 0.52704 11.2033
186 5E1M PRO PRO LYS ARG ILE ALA 0.000002249 0.52704 11.2033
187 4R6W PC 0.000106 0.48294 11.2403
188 4R6W SAH 0.00007339 0.466 11.2403
189 2PWY SAH 0.0001239 0.42779 11.2403
190 3PT9 SAH 0.0002484 0.40215 11.3014
191 1VE3 SAM 0.00004278 0.42585 11.4537
192 1L1E SAH 0.000005222 0.46335 11.4983
193 1ZQ9 SAM 0.00008151 0.41731 11.5789
194 5XVK SAH 0.00004289 0.49597 11.6197
195 5MW4 5JU 0.001768 0.42296 11.6438
196 1TPY SAH 0.00000595 0.46657 11.8467
197 5MPT SAH 0.00004968 0.51287 12.6712
198 1IM8 SAI 0.00005428 0.43237 12.7049
199 2XVM SAH 0.000003119 0.44479 13.0653
200 4M38 SAH 0.0000138 0.45126 13.3562
201 4M37 SAH 0.00001063 0.44909 13.3562
202 1H82 GZZ 0.01059 0.40724 13.3562
203 1H82 FAD 0.0111 0.40372 13.3562
204 5TVF CGQ 0.02711 0.40893 14.1176
205 1KPG SAH 0.00000593 0.53719 14.9826
206 3GRU AMP 0.0001467 0.42892 15.0685
207 5E8J SAH 0.000005663 0.57558 15.9091
208 5OFW 9TW 0.005112 0.45366 16.5919
209 4IWN GEK 0.00001182 0.46553 17.0306
210 3S1S SAH 0.0005365 0.40733 17.8082
211 4KRI SAH 0.000005303 0.4623 18.1507
212 5N53 8NB 0.001092 0.49044 18.9744
213 3OU2 SAH 0.0006548 0.43953 19.2661
214 1KPH SAH 0.000007883 0.46302 22.9965
215 5F8F SFG 0.0001362 0.50348 29.1096
Pocket No.: 3; Query (leader) PDB : 1JQD; Ligand: HSM; Similar sites found: 171
This union binding pocket(no: 3) in the query (biounit: 1jqd.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DM1 SAH 0.00005767 0.41964 None
2 5DM1 5D7 0.00006376 0.41444 None
3 3G2O SAM 0.00004344 0.51013 1.71233
4 3X0D SAH 0.0001049 0.432 1.71233
5 5JGL SAM 0.0007262 0.40224 1.7301
6 4NEC SAH 0.00125 0.45362 1.89394
7 3NDJ JHZ 0.0001611 0.48097 2.05479
8 3NDJ SAH 0.0001611 0.48097 2.05479
9 5GM1 SAH 0.00007849 0.47978 2.05479
10 2V3V MGD 0.02704 0.40139 2.05479
11 4ZNO SUC 0.0319 0.40052 2.05479
12 3EVF GTA 0.0066 0.40672 2.16606
13 3EVF SAH 0.005978 0.40533 2.16606
14 3HVJ 705 0.0005407 0.449 2.26244
15 4J4H NAI 0.01145 0.40312 2.3166
16 4J4H 1J1 0.01145 0.40312 2.3166
17 3MB5 SAM 0.0007172 0.41737 2.35294
18 3FRH SAH 0.0006355 0.41989 2.37154
19 2Q1S NAI 0.001623 0.43595 2.39726
20 3NJ4 NAD 0.04967 0.40391 2.39726
21 3T7S SAM 0.00001071 0.46087 2.61194
22 5DXA SFG 0.003144 0.41372 2.73973
23 5DX8 SFG 0.004163 0.40869 2.73973
24 1RJD SAM 0.001161 0.40166 2.73973
25 2OBF F83 0.0002591 0.468 2.76817
26 2PXX SAH 0.0001923 0.42149 2.7907
27 3LCV SAM 0.0005369 0.42147 2.84698
28 3LCC SAH 0.00008701 0.42328 2.97872
29 1Z3C SA8 0.0001458 0.46207 3.08219
30 2O07 SPD 0.0008529 0.43169 3.08219
31 2O07 MTA 0.0008924 0.42789 3.08219
32 1OC2 NAD 0.01618 0.40273 3.08219
33 3GGO ENO 0.01045 0.40131 3.08219
34 3GGO NAI 0.01045 0.40131 3.08219
35 4PIO AVI 0.001447 0.42667 3.42466
36 4PIO SAH 0.001623 0.42593 3.42466
37 5LD5 NAD 0.00647 0.40078 3.42466
38 3H2B SAH 0.000004656 0.47666 3.44828
39 3FZG SAM 0.0001888 0.4918 3.5
40 1XTP SAI 0.000004193 0.47115 3.54331
41 2VDV SAM 0.000167 0.49979 3.65854
42 3DXY SAM 0.00001741 0.42278 3.66972
43 3O7W SAM 0.00005145 0.41951 3.76712
44 4ONQ SFG 0.0003171 0.40954 3.76712
45 5E9W SAH 0.00008296 0.40803 3.76712
46 4OPC PGT 0.03168 0.41029 4.10959
47 4OPC FDA 0.02898 0.40934 4.10959
48 3OFK SAH 0.0005748 0.44789 4.16667
49 3FUU ADN 0.0002153 0.42367 4.42804
50 5KOK SAH 0.0001061 0.48792 4.45205
51 3G89 SAM 0.000005758 0.44731 4.45205
52 4AZT SAM 0.00003998 0.44054 4.45205
53 2EFJ SAH 0.0000248 0.43877 4.45205
54 4AZW SAM 0.0000915 0.43375 4.45205
55 3DMH GMP 0.000519 0.42982 4.45205
56 3DMH SAM 0.001938 0.42919 4.45205
57 5JJR SAH 0.003205 0.42685 4.45205
58 5KOK S9T 0.0001285 0.42264 4.45205
59 4RDH AMP 0.006554 0.42009 4.51389
60 3PFG TLO 0.0002544 0.46602 4.56274
61 2A14 SAH 0.0004806 0.41922 4.56274
62 3PFG SAM 0.0392 0.40031 4.56274
63 4XUC 43G 0.001345 0.42922 4.58716
64 4XUC SAM 0.001345 0.42922 4.58716
65 4D79 ATP 0.009328 0.40611 4.71014
66 5X62 SAH 0.00001839 0.53265 4.79452
67 5THY SAH 0.00005908 0.4941 4.79452
68 2FK8 SAM 0.00002591 0.4603 4.79452
69 5F2K OCA 0.0003659 0.44922 4.79452
70 5F2K SAH 0.0003659 0.44922 4.79452
71 5THZ SAH 0.000161 0.44137 4.79452
72 1G55 SAH 0.003168 0.42348 4.79452
73 4A6D SAM 0.0003004 0.41719 4.79452
74 1FP1 SAH 0.0001135 0.41501 4.79452
75 3P9C SAH 0.003504 0.40999 4.79452
76 5DNK SAH 0.0000704 0.4008 4.79452
77 5FA8 SAM 0.002043 0.42145 4.96894
78 3BGD PM6 0.001736 0.41656 5
79 1I9G SAM 0.000587 0.41172 5
80 4E70 N7I 0.0004729 0.42217 5.13699
81 3TKY SAH 0.0004301 0.41135 5.13699
82 3ELW GP3 0.006663 0.40945 5.13699
83 3ELW SAM 0.006322 0.40945 5.13699
84 1YKJ FAD 0.01765 0.40502 5.13699
85 1KYZ FER 0.003487 0.40466 5.13699
86 1KYZ SAH 0.0007748 0.40337 5.13699
87 3L4S NAD 0.005797 0.40123 5.13699
88 5M58 SAH 0.0001442 0.42483 5.21739
89 2EG5 SAH 0.000012 0.43813 5.47945
90 4KRG SAH 0.0001456 0.41952 5.47945
91 2VPY MGD 0.02205 0.40137 5.47945
92 1NV8 MEQ 0.002699 0.40903 5.6338
93 1NV8 SAM 0.003195 0.40758 5.6338
94 5DLY SAH 0.00006862 0.41998 5.6391
95 5DLY 5D7 0.00007449 0.41048 5.6391
96 5FA5 MTA 0.003366 0.43358 5.82192
97 1R6D NAD 0.007764 0.41502 5.82192
98 1R6D DAU 0.007453 0.41502 5.82192
99 4D04 NAP 0.01877 0.40384 5.82192
100 1HDR NAD 0.001171 0.44665 6.14754
101 1XDS SAM 0.00003031 0.42963 6.16438
102 1QZZ SAM 0.0001714 0.40933 6.16438
103 4C4A SAH 0.0002242 0.42169 6.50685
104 5HJM MTA 0.004613 0.41633 6.50685
105 2PT9 2MH 0.003856 0.41077 6.54206
106 1JG3 ADN 0.0004898 0.40702 6.80851
107 3MQ2 SAH 0.0001805 0.41362 6.88073
108 2ZFU SAH 0.000261 0.42378 6.97674
109 5GWX SAR 0.0004309 0.43864 7.04225
110 5GWX SAM 0.0004309 0.43864 7.04225
111 3VC1 GST 0.00001855 0.51288 7.19178
112 3VC1 SAH 0.00001855 0.51288 7.19178
113 4PNE SAH 0.0002701 0.43336 7.19178
114 1JQ3 AAT 0.001826 0.42261 7.19178
115 1ELI PYC 0.006709 0.4054 7.19178
116 4QTU SAM 0.00002336 0.45519 7.21154
117 2I7C AAT 0.004907 0.40536 7.42049
118 4OBW SAM 0.0003506 0.40961 7.7821
119 5FTW SAH 0.001282 0.43687 7.8125
120 4M73 SAH 0.000007975 0.52213 7.87671
121 4M73 M72 0.00001026 0.51918 7.87671
122 3WMX NAD 0.003592 0.4027 7.87671
123 3P2E SAH 0.0003321 0.42112 8
124 4KIB SAH 0.0004171 0.40101 8.21918
125 3JWH SAH 0.00000363 0.44108 8.75576
126 3FPF MTA 0.0005142 0.45228 8.90411
127 2GAG FOA 0.01181 0.40172 9.24658
128 2GAG FAD 0.01181 0.40172 9.24658
129 5MGZ SAH 0.00007641 0.49414 9.32203
130 2NXE SAM 0.0007149 0.40077 9.44882
131 5T67 JHZ 0.0001851 0.47738 9.58904
132 5T67 SAH 0.0002508 0.46628 9.58904
133 4Y2H 49K 0.004277 0.41447 9.58904
134 4Y2H SAH 0.004548 0.41337 9.58904
135 3BXO SAM 0.000037 0.42134 9.62343
136 3LST SAH 0.00005383 0.52318 9.93151
137 5BW4 SAM 0.00002318 0.44217 10.1124
138 5JE0 AZ8 0.00002722 0.49264 10.1215
139 5JE0 SAH 0.00002722 0.49264 10.1215
140 1G8K MGD 0.02341 0.40254 10.5263
141 3I53 SAH 0.0001813 0.43119 10.8434
142 5XVQ SAH 0.0004279 0.44943 10.9155
143 5E1M SAH 0.00005376 0.48557 11.2033
144 5E1M PRO PRO LYS ARG ILE ALA 0.00005376 0.48557 11.2033
145 4R6W PC 0.0002935 0.47488 11.2403
146 4R6W SAH 0.0001309 0.46706 11.2403
147 2PWY SAH 0.0005924 0.41952 11.2403
148 1VE3 SAM 0.0002752 0.41209 11.4537
149 1L1E SAH 0.00007399 0.44387 11.4983
150 1ZQ9 SAM 0.0003625 0.41032 11.5789
151 5XVK SAH 0.0002593 0.45839 11.6197
152 5MW4 5JU 0.003103 0.42125 11.6438
153 1TPY SAH 0.00009227 0.44551 11.8467
154 1JNR FAD 0.02878 0.40122 12.6667
155 5MPT SAH 0.0003307 0.47084 12.6712
156 3GWZ SAH 0.00008525 0.41283 12.6712
157 3GXO SAH 0.0001915 0.40766 12.6712
158 1IM8 SAI 0.0003848 0.41836 12.7049
159 2XVM SAH 0.0001327 0.40741 13.0653
160 4M38 SAH 0.0002498 0.42458 13.3562
161 4M37 SAH 0.0002125 0.42232 13.3562
162 1KPG SAH 0.0001099 0.47807 14.9826
163 1KPG 16A 0.01489 0.40691 14.9826
164 3GRU AMP 0.001698 0.40464 15.0685
165 5E8J SAH 0.0001229 0.50612 15.9091
166 5OFW 9TW 0.0133 0.42674 16.5919
167 4IWN GEK 0.0000834 0.45119 17.0306
168 4KRI SAH 0.00002854 0.45702 18.1507
169 5N53 8NB 0.019 0.41906 18.9744
170 1KPH SAH 0.0001094 0.44224 22.9965
171 5F8F SFG 0.000339 0.47998 29.1096
Pocket No.: 4; Query (leader) PDB : 1JQD; Ligand: SAH; Similar sites found: 48
This union binding pocket(no: 4) in the query (biounit: 1jqd.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BC5 SAH 0.001022 0.40283 1.11524
2 1XCL SAH 0.003807 0.40332 1.2766
3 3NYC FAD 0.0105 0.40326 1.36986
4 1UWK URO 0.008486 0.40299 1.71233
5 1UWK NAD 0.008486 0.40299 1.71233
6 5U8U FAD 0.01682 0.4028 2.05479
7 4ZNO SUC 0.03498 0.40052 2.05479
8 4J4H 1J1 0.007927 0.40505 2.3166
9 2IV2 MGD 0.00479 0.40415 2.73973
10 2RAB FAD 0.005203 0.41073 3.08219
11 4UP4 NDG 0.02882 0.41755 3.42466
12 2DKH 3HB 0.007255 0.40017 3.42466
13 2BZG SAH 0.0002392 0.40529 3.44828
14 4ONQ SFG 0.0002879 0.40318 3.76712
15 4BJZ P3A 0.01924 0.40316 4.10959
16 3PFG SAM 0.007951 0.42714 4.56274
17 1FP1 SAH 0.00005527 0.41602 4.79452
18 3P9C SAH 0.002112 0.41322 4.79452
19 1D4D FAD 0.004796 0.41124 4.79452
20 4A6D SAM 0.0002973 0.40719 4.79452
21 3BGD SAH 0.0009185 0.40451 5
22 3L4S 3PG 0.003653 0.40526 5.13699
23 3L4S NAD 0.003392 0.40526 5.13699
24 1KYZ SAH 0.0004094 0.40513 5.13699
25 4D7E FAD 0.005503 0.40178 5.47945
26 1K3T BRZ 0.00449 0.40177 5.47945
27 2VPY MGD 0.0182 0.40073 5.47945
28 3UOY NAP 0.01473 0.40644 5.82192
29 1HDR NAD 0.00584 0.41215 6.14754
30 1GTE FAD 0.0104 0.40913 6.84932
31 1MO9 FAD 0.02245 0.40391 6.84932
32 1MO9 KPC 0.02583 0.40172 6.84932
33 3MQ2 SAH 0.0001144 0.41046 6.88073
34 3GU3 SAH 0.00002589 0.40766 7.19178
35 3E1T FAD 0.009047 0.40011 7.19178
36 3TLJ SAH 0.0006337 0.40537 7.53425
37 2XVE FAD 0.01594 0.40193 7.53425
38 1QO8 FAD 0.00384 0.41418 7.87671
39 3RNM FAD 0.007773 0.40277 11.3014
40 1ZMD FAD 0.007357 0.40374 11.6438
41 2F5Z FAD 0.007772 0.40277 11.6438
42 3GWZ SAH 0.00009294 0.40133 12.6712
43 3GXO SAH 0.0001667 0.40034 12.6712
44 3L9W GSH 0.003016 0.40321 13.0137
45 3L9W AMP 0.00355 0.40321 13.0137
46 3QOX SAH 0.0009206 0.40371 13.6986
47 1KPG 16A 0.01812 0.40542 14.9826
48 3GD4 NAD 0.02056 0.40353 15.0685
Feedback