Receptor
PDB id Resolution Class Description Source Keywords
5XVQ 2.29 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF MONKEY NICOTINAMIDE N-METHYLTRANSFERASE BOUND WITH END PRODUCT, 1-METHYL NICOTINAMIDE (MNA) MACACA MULATTA NNMT MNA TERNARY COMPLEX FEEDBACK INHIBITION T2D TRANSF
Ref.: CRYSTAL STRUCTURES OF MONKEY AND MOUSE NICOTINAMIDE N-METHYLTRANSFERASE (NNMT) BOUND WITH END PRODUCT, NICOTINAMIDE BIOCHEM. BIOPHYS. RES. V. 491 416 2017 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:303;
A:303;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SAH A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
8GC A:302;
B:302;
Valid;
Valid;
none;
none;
ic50 = 9 uM
137.159 C7 H9 N2 O C[n+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XVQ 2.29 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF MONKEY NICOTINAMIDE N-METHYLTRANSFERASE BOUND WITH END PRODUCT, 1-METHYL NICOTINAMIDE (MNA) MACACA MULATTA NNMT MNA TERNARY COMPLEX FEEDBACK INHIBITION T2D TRANSF
Ref.: CRYSTAL STRUCTURES OF MONKEY AND MOUSE NICOTINAMIDE N-METHYLTRANSFERASE (NNMT) BOUND WITH END PRODUCT, NICOTINAMIDE BIOCHEM. BIOPHYS. RES. V. 491 416 2017 COMMUN.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 5XVQ ic50 = 9 uM 8GC C7 H9 N2 O C[n+]1cccc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 5XVQ ic50 = 9 uM 8GC C7 H9 N2 O C[n+]1cccc....
2 5XVK ic50 = 9 uM 8GC C7 H9 N2 O C[n+]1cccc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 5XVQ ic50 = 9 uM 8GC C7 H9 N2 O C[n+]1cccc....
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: 8GC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8GC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XVQ; Ligand: 8GC; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 5xvq.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JEM C5P 0.0107 0.42312 None
2 4DOO DAO 0.01228 0.41515 1.46341
3 1HYH NAD 0.03545 0.40867 1.76056
4 5XDT ZI7 0.01132 0.42894 2.11268
5 5DLY SAH 0.02379 0.42549 2.25564
6 5LUN ARG 0.02468 0.41177 3.16901
7 5MSO NAP 0.03731 0.40052 4.22535
8 3TFJ THG 0.02861 0.40966 4.60705
9 3T1A 5MA 0.01036 0.4168 4.92958
10 4I54 1C1 0.02339 0.41602 4.92958
11 4CDN FO1 0.02148 0.40577 7.39437
12 3KAP FMN 0.01715 0.41439 7.48299
13 1SW1 PBE 0.01113 0.40066 8
14 2GAG FOA 0.04887 0.41138 8.08081
15 4M73 SAH 0.01631 0.43108 8.09859
16 3PPM JG1 0.01526 0.43563 8.80282
17 1XXA ARG 0.006296 0.41716 8.97436
18 1IG3 VIB 0.04833 0.4005 9.12547
19 5WDR GNP 0.03054 0.40679 9.35672
20 1UU1 PMP HSA 0.01987 0.40953 9.85915
21 1OFD AKG 0.04325 0.403 10.9155
22 1OFD FMN 0.04687 0.403 10.9155
23 3FAL LO2 0.04726 0.40112 11.157
24 3DDC GNP 0.02436 0.41248 15.9509
25 4KVG GTP 0.03695 0.40171 19.6429
26 4HDQ GNP 0.03351 0.40624 19.7605
27 3X1Z GNP 0.03999 0.40249 19.7605
28 4HDO GNP 0.03843 0.4022 19.7605
Pocket No.: 2; Query (leader) PDB : 5XVQ; Ligand: SAH; Similar sites found: 268
This union binding pocket(no: 2) in the query (biounit: 5xvq.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OFK SAH 0.0004308 0.44782 None
2 4Q9N NAI 0.002822 0.42132 1.40845
3 2Q46 NAP 0.006746 0.40281 1.58103
4 2BD0 NAP 0.0003292 0.46197 1.63934
5 5THZ SAH 0.0000001153 0.58882 1.76056
6 5THY SAH 0.00000006195 0.58312 1.76056
7 5BR7 FAD 0.01986 0.40916 1.76056
8 5EPO NAP 0.007574 0.40202 1.9084
9 3RJ5 NAD 0.004986 0.41902 1.9685
10 2I7C AAT 0.001497 0.43682 2.11268
11 2PT9 2MH 0.001567 0.43599 2.11268
12 2PT9 S4M 0.001011 0.43241 2.11268
13 1N4W FAD 0.006481 0.41896 2.11268
14 4YAG NAI 0.008212 0.41353 2.11268
15 4O1M NAD 0.005002 0.40957 2.11268
16 1EK6 NAI 0.02368 0.40104 2.11268
17 5DLY SAH 0.002802 0.42873 2.25564
18 5DLY 5D7 0.003145 0.42873 2.25564
19 2FR1 NDP 0.00672 0.40671 2.26337
20 5GT9 NAP 0.0021 0.42671 2.28137
21 5ITV NAI 0.001606 0.4316 2.35294
22 5T2U NAP 0.003668 0.41906 2.41935
23 1TPY SAH 0.0002107 0.4519 2.46479
24 1G55 SAH 0.0001459 0.44966 2.46479
25 4M38 SAH 0.0002955 0.44264 2.46479
26 3S1S SAH 0.001073 0.42791 2.46479
27 4YUW 4JU 0.01973 0.42572 2.46479
28 4YUW S4M 0.02062 0.42438 2.46479
29 2YY7 NAD 0.003331 0.41829 2.46479
30 2P41 SAH 0.0008823 0.41593 2.46479
31 2DPM SAM 0.002622 0.40812 2.46479
32 5JCM ISD 0.02449 0.40676 2.46479
33 5JCM FAD 0.02378 0.40676 2.46479
34 5JCM NAD 0.02449 0.40676 2.46479
35 3GD4 NAD 0.03549 0.40356 2.46479
36 2XVE FAD 0.02929 0.40076 2.46479
37 2XVF FAD 0.01287 0.40019 2.46479
38 1XG5 NAP 0.002537 0.42327 2.50896
39 4FC7 COA 0.01079 0.40832 2.52708
40 4FC7 NAP 0.01079 0.40832 2.52708
41 4XUC SAM 0.005768 0.4119 2.75229
42 4XUC 43G 0.005768 0.4119 2.75229
43 4NBU NAI 0.002488 0.42362 2.8
44 5KOK S9T 0.0001486 0.47945 2.8169
45 3O7W SAM 0.000005678 0.47835 2.8169
46 5KOK R9T 0.0009154 0.44459 2.8169
47 5KOK SAH 0.000247 0.4407 2.8169
48 4ONQ SFG 0.000233 0.43442 2.8169
49 3L9W AMP 0.001984 0.42775 2.8169
50 3L9W GSH 0.00241 0.42144 2.8169
51 4RPL 3UC 0.01632 0.41612 2.8169
52 4RPL FAD 0.01707 0.41342 2.8169
53 3AYI FAD 0.01872 0.40495 2.8169
54 3AYI HCI 0.01941 0.40495 2.8169
55 2JAH NDP 0.008155 0.40193 2.83401
56 1IM8 SAI 0.00006421 0.4671 2.86885
57 2WA2 SAM 0.00006423 0.45056 2.89855
58 4NBT NAD 0.006741 0.40282 2.91667
59 2BZG SAH 0.0003579 0.42903 3.01724
60 1VE3 SAM 0.00005429 0.45808 3.0837
61 1Q0S SAH 0.001156 0.42834 3.0888
62 2WSB NAD 0.006621 0.41571 3.14961
63 3FPF MTA 0.000456 0.46503 3.16901
64 3FPF TNA 0.000456 0.46503 3.16901
65 5E9W SAH 0.000006189 0.46433 3.16901
66 5X62 SAH 0.00004363 0.45744 3.16901
67 5WGR FAD 0.01032 0.40732 3.16901
68 1UWK NAD 0.01474 0.40495 3.16901
69 1UWK URO 0.01474 0.40495 3.16901
70 3NUG NAD 0.002687 0.42221 3.23887
71 5DM1 5D7 0.0001879 0.48169 3.37079
72 5DM1 SAH 0.0001758 0.48169 3.37079
73 5MGZ SAH 0.000007033 0.49682 3.38983
74 1G60 SAM 0.0003392 0.43438 3.46154
75 1WG8 SAM 0.0002838 0.45321 3.52113
76 2JB2 PHE 0.00262 0.43322 3.52113
77 2JB2 FAD 0.002478 0.43322 3.52113
78 4D42 W0I 0.008193 0.41956 3.52113
79 4D42 NAP 0.008193 0.41956 3.52113
80 4N49 SAM 0.001647 0.41324 3.52113
81 1NAA 6FA 0.0134 0.40508 3.52113
82 1NAA ABL 0.01929 0.40508 3.52113
83 4FN4 NAD 0.0008934 0.44086 3.54331
84 2ZWA SAH 0.000005207 0.51598 3.59712
85 2O07 MTA 0.003137 0.41524 3.61842
86 2O07 SPD 0.004079 0.41328 3.61842
87 1BC5 SAH 0.0001235 0.46598 3.71747
88 3ABI NAD 0.0006233 0.4474 3.87324
89 4C4A SAH 0.0001739 0.4443 3.87324
90 3PT9 SAH 0.0001471 0.44183 3.87324
91 3A4V PYR 0.001777 0.43607 3.87324
92 3A4V NAD 0.001777 0.43607 3.87324
93 1D4D FAD 0.004265 0.42694 3.87324
94 2IID FAD 0.01086 0.41708 3.87324
95 2IID PHE 0.01086 0.41708 3.87324
96 4TX6 38B 0.02351 0.40031 3.87324
97 3UCL CYH 0.03417 0.40003 3.87324
98 3UCL FAD 0.03417 0.40003 3.87324
99 3UCL NAP 0.0371 0.40003 3.87324
100 5M58 SAH 0.000005822 0.50021 3.91304
101 1EFV FAD 0.02606 0.40118 3.92157
102 3HVJ 705 0.00458 0.41955 4.0724
103 2ZIF SAM 0.0005014 0.4268 4.22535
104 4MIG G3F 0.01418 0.40811 4.22535
105 5JCA FAD 0.01145 0.4072 4.22535
106 2PD4 DCN 0.009 0.40477 4.22535
107 2PD4 NAD 0.009806 0.40318 4.22535
108 4K26 SFF 0.01399 0.40059 4.34783
109 1WUW TSU 0.03515 0.40319 4.44444
110 1PR9 NAP 0.002506 0.42607 4.5082
111 3D3W NAP 0.002531 0.42589 4.5082
112 3I53 SAH 0.001152 0.4195 4.51807
113 1E5Q NDP 0.0008798 0.43966 4.57746
114 4UCI SAM 0.0003519 0.43474 4.57746
115 5HJM MTA 0.001979 0.4275 4.57746
116 2GV8 FAD 0.01025 0.40124 4.57746
117 2VDV SAM 0.0001372 0.4982 4.87805
118 1DL5 SAH 0.00009383 0.47658 4.92958
119 1Q9I FAD 0.01083 0.41857 4.92958
120 1Q9I TEO 0.01083 0.41857 4.92958
121 2Z3Y F2N 0.007434 0.41634 4.92958
122 3CH6 NAP 0.02085 0.40818 4.92958
123 3CH6 311 0.02085 0.40818 4.92958
124 3Q9T FAY 0.01078 0.40353 4.92958
125 1ZEM NAD 0.002432 0.41833 4.96183
126 1EJ0 SAM 0.0006922 0.42016 5
127 4FZV SAM 0.0002889 0.44145 5.02092
128 3VSE SAH 0.0006182 0.4002 5.02513
129 3DXY SAM 0.0002911 0.40658 5.04587
130 5MBX SP5 0.01763 0.40755 5.23139
131 5MBX FAD 0.01763 0.40755 5.23139
132 1RJD SAM 0.00001695 0.49038 5.28169
133 1NV8 MEQ 0.001301 0.43108 5.28169
134 1NV8 SAM 0.001414 0.43108 5.28169
135 2E7Z MGD 0.005971 0.4124 5.28169
136 4DCM SAM 0.0006448 0.41015 5.28169
137 3X0D SAH 0.001578 0.40985 5.28169
138 3QWI CUE 0.005345 0.42074 5.55556
139 3QWI NAP 0.003127 0.42074 5.55556
140 3NDJ JHZ 0.00259 0.43926 5.6338
141 3NDJ SAH 0.00259 0.43926 5.6338
142 3A4T SFG 0.0005439 0.43603 5.6338
143 5DX0 SFG 0.0009079 0.43433 5.6338
144 5K8V 6RE 0.004561 0.43409 5.6338
145 5DWQ SFG 0.001021 0.43053 5.6338
146 5FA5 MTA 0.0002854 0.42286 5.6338
147 2CDU FAD 0.005184 0.41614 5.6338
148 3ML1 MGD 0.02132 0.4124 5.6338
149 4OBW SAM 0.00003553 0.465 5.83658
150 3FRH SAH 0.0003169 0.44939 5.92885
151 4Y2H SAH 0.0007447 0.45582 5.98592
152 4Y2H 49K 0.001053 0.44931 5.98592
153 5XLX SAH 0.000797 0.41618 6.02837
154 3VYW SAM 0.003454 0.40143 6.33803
155 2AG5 NAD 0.002684 0.42089 6.50407
156 3C6K MTA 0.00151 0.43911 6.69014
157 3C6K SPD 0.00151 0.43911 6.69014
158 3GXO SAH 0.0003105 0.42448 6.69014
159 3GWZ SAH 0.0004364 0.41396 6.69014
160 1YY5 FAD 0.01085 0.40999 6.69014
161 4HA6 FAD 0.01522 0.40263 6.69014
162 3FZG SAM 0.0005325 0.40918 7
163 4AZW SAM 0.000168 0.44624 7.04225
164 2ZXI FAD 0.008742 0.40745 7.04225
165 3DUW SAH 0.002619 0.40106 7.17489
166 3TLJ SAH 0.000335 0.44841 7.39437
167 2JJQ SAH 0.00006674 0.43867 7.39437
168 4ITU 1HS 0.00627 0.41867 7.39437
169 4ITU NAI 0.003748 0.41867 7.39437
170 4TM3 FAD 0.0293 0.40484 7.39437
171 3GRU AMP 0.004107 0.40424 7.39437
172 3S5W FAD 0.007777 0.4028 7.39437
173 4BLW AMP 0.007713 0.40652 7.61246
174 4BLW SAH 0.004519 0.40572 7.61246
175 3Q87 SAM 0.001136 0.42689 7.64706
176 3VC1 SAH 0.0002286 0.4792 7.69231
177 3VC1 GST 0.0002286 0.4792 7.69231
178 5MPT SAH 0.00000001332 0.5908 7.74648
179 4C3Y FAD 0.005313 0.42086 7.74648
180 4C3Y ANB 0.007029 0.42006 7.74648
181 3BGD PM6 0.0006935 0.4424 8.07692
182 3BGD SAH 0.0005425 0.43992 8.07692
183 4M73 M72 0.00007866 0.49541 8.09859
184 4M73 SAH 0.0001039 0.48888 8.09859
185 2EG5 SAH 0.00008966 0.43426 8.09859
186 1QAN SAH 0.0001542 0.45752 8.19672
187 2PXX SAH 0.00000169 0.52057 8.37209
188 3ELW SAM 0.001232 0.44853 8.4507
189 3ELW GP3 0.001735 0.44308 8.4507
190 3WMX NAD 0.005401 0.40683 8.4507
191 3GDH SAH 0.0004338 0.43779 8.71369
192 3JWH SAH 0.000001522 0.48413 8.75576
193 5FTW SAH 0.00003974 0.47487 8.98438
194 5MW4 5JU 0.001195 0.44802 9.15493
195 3QOX SAH 0.0004625 0.44273 9.15493
196 5JJR SAH 0.0003581 0.42903 9.15493
197 4IWN GEK 0.00005699 0.4796 9.17031
198 4R6W PC 0.00005667 0.51788 9.30233
199 4R6W SAH 0.00001563 0.51774 9.30233
200 1XCL SAH 0.000195 0.47155 9.3617
201 3EVG SAH 0.0004132 0.42728 9.45455
202 4POO SAM 0.001917 0.41938 9.5
203 3TKY SAH 0.0006504 0.42541 9.50704
204 2V6G NAP 0.003303 0.41845 9.50704
205 1NW5 SAM 0.001193 0.41326 9.50704
206 2EJU SAH 0.001403 0.4054 9.50704
207 3G2O SAM 0.00003845 0.46531 9.699
208 5CUQ NSC 0.0004705 0.45543 9.73783
209 3AD8 NAD 0.008677 0.40434 9.85222
210 1NNU TCT 0.01378 0.42553 10
211 1NNU NAD 0.01344 0.42553 10
212 3G89 SAM 0.000009327 0.46415 10.0402
213 3EGV SAH 0.002507 0.43064 10.2362
214 2NXE SAM 0.001265 0.40654 10.2362
215 1AE1 NAP 0.002579 0.42554 10.2564
216 1NFQ NAI 0.00575 0.40957 10.7692
217 3EVF GTA 0.002679 0.43175 10.8303
218 3EVF SAH 0.002314 0.43116 10.8303
219 1Z3C SA8 0.0000218 0.50825 10.9155
220 1JQD SAH 0.00005908 0.49016 10.9155
221 2AOT SAH 0.000003087 0.48784 10.9155
222 1JQD HSM 0.0004279 0.44943 10.9155
223 1XKQ NDP 0.009224 0.40206 10.9155
224 1P1C SAH 0.0005196 0.44068 11.0553
225 4CQM NAP 0.005041 0.40943 11.4754
226 1IY8 NAD 0.002446 0.42393 11.6105
227 1JQ3 AAT 0.002825 0.42387 11.8243
228 3OID NDP 0.008172 0.4043 12.0155
229 3RNM FAD 0.0167 0.40086 12.069
230 2AE2 PTO 0.003305 0.42884 12.3077
231 2AE2 NAP 0.003305 0.42884 12.3077
232 1L1E SAH 0.0004011 0.4357 12.3239
233 2F5Z FAD 0.01373 0.40461 12.5
234 2XVM SAH 0.0000004484 0.51292 12.5628
235 2PX8 SAH 0.001461 0.40709 12.6394
236 1KPH SAH 0.000238 0.44986 12.6761
237 2YX1 SFG 0.0007046 0.4029 13.0282
238 1KPG SAH 0.0002277 0.45061 13.3803
239 1N2X SAM 0.0005476 0.43975 13.3803
240 1R18 SAH 0.0002503 0.44897 13.6564
241 4PIO SAH 0.0001569 0.47845 14.7887
242 4PIO AVI 0.0001779 0.47471 14.7887
243 1I1N SAH 0.0002711 0.4593 14.7887
244 4QTU SAM 0.00000109 0.56772 14.8148
245 4O0L NDP 0.003168 0.41921 14.9091
246 1GTE FAD 0.03012 0.40019 15.1408
247 3GU3 SAH 0.00004155 0.43449 15.493
248 4DMG SAM 0.002216 0.4461 15.5216
249 1JG3 ADN 0.0004803 0.42293 16.5493
250 1U2Z SAH 0.004188 0.40389 16.5493
251 3LCC SAH 0.00001612 0.47539 17.0213
252 2FK8 SAM 0.0002452 0.44425 17.2535
253 1WY7 SAH 0.00048 0.43724 17.3913
254 5E1M PRO PRO LYS ARG ILE ALA 0.00001889 0.51751 17.6056
255 5E1M SAH 0.00001889 0.51751 17.6056
256 5GWX SAR 0.0001407 0.46933 18.662
257 5GWX SAM 0.0001407 0.46933 18.662
258 1QZZ SAM 0.0003911 0.41419 20.0704
259 1XDS SAM 0.0003385 0.4798 20.4225
260 1E1M NAP 0.01965 0.40471 22.8873
261 1E1M FAD 0.01965 0.40471 22.8873
262 3DMH GMP 0.001301 0.43109 23.2394
263 3DMH SAM 0.000687 0.42749 23.2394
264 5DX1 SFG 0.000304 0.45381 31.5789
265 5DXA SFG 0.0007456 0.43431 31.5789
266 5DX8 SFG 0.0008104 0.43285 31.5789
267 3GCZ SAM 0.0003467 0.42948 32.7465
268 5E8J SAH 0.00000738 0.4714 47.7273
Pocket No.: 3; Query (leader) PDB : 5XVQ; Ligand: SAH; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 5xvq.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EFV AMP 0.02588 0.40131 3.92157
2 1ZMD FAD 0.01658 0.401 4.22535
3 4OHU 2TK 0.02672 0.40002 7.39437
4 4OHU NAD 0.02672 0.40002 7.39437
Pocket No.: 4; Query (leader) PDB : 5XVQ; Ligand: 8GC; Similar sites found: 13
This union binding pocket(no: 4) in the query (biounit: 5xvq.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DLY 5D7 0.02055 0.43124 2.25564
2 5LUN OGA 0.03028 0.40582 3.16901
3 5LIA 6XN 0.04731 0.42293 3.87324
4 3OTH TYD 0.01746 0.40667 4.12621
5 3DLG GWE 0.04456 0.41821 4.92958
6 4MSG 2C6 0.04063 0.40803 5.99078
7 1TLL FMN 0.02484 0.40661 7.74648
8 4M73 M72 0.008316 0.4491 8.09859
9 4I53 1C1 0.01803 0.40868 8.4507
10 3EWK FAD 0.0173 0.41051 9.2511
11 5HZ9 5M8 0.02371 0.40126 10.3704
12 1U3D FAD 0.03297 0.40825 11.2676
13 1NVV GNP 0.03576 0.40342 13.8554
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