Receptor
PDB id Resolution Class Description Source Keywords
5XVK 1.88 Å EC: 2.1.1.1 CRYSTAL STRUCTURE OF MOUSE NICOTINAMIDE N-METHYLTRANSFERASE BOUND WITH END PRODUCT, 1-METHYL NICOTINAMIDE (MNA) MUS MUSCULUS 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 A:303;
Invalid;
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;
Atoms found MORE than expected: % Diff = 1.7;
Atoms found MORE than expected: % Diff = 1.7;
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
5XVK 1.88 Å EC: 2.1.1.1 CRYSTAL STRUCTURE OF MOUSE NICOTINAMIDE N-METHYLTRANSFERASE BOUND WITH END PRODUCT, 1-METHYL NICOTINAMIDE (MNA) MUS MUSCULUS 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 1 families.
1 5XVK 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 (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: 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 : 5XVK; Ligand: 8GC; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 5xvk.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NZY BCA 0.03416 0.40703 1.85874
2 3VNM SDD 0.0199 0.40431 2.46479
3 1SW1 PBE 0.009193 0.40474 2.54545
4 2JFZ DGL 0.02561 0.43771 2.7451
5 2JFZ 003 0.02676 0.43618 2.7451
6 5MSO NAP 0.02092 0.41528 3.16901
7 3GPO APR 0.02602 0.40995 3.57143
8 2VW1 DAN 0.0213 0.40095 3.87324
9 1NVU GTP 0.03898 0.40158 4.81928
10 3OTH TYD 0.01201 0.41426 5.28169
11 3OTH CLJ 0.04814 0.41093 5.28169
12 4U7W NDP 0.00644 0.44607 6.69014
13 4R1S NAP 0.01704 0.41861 7.04225
14 1G63 FMN 0.03157 0.40151 9.39227
15 4M73 M72 0.008762 0.44782 9.85915
16 4M73 SAH 0.01237 0.43898 9.85915
17 5XDT ZI7 0.005785 0.44563 11.6197
Pocket No.: 2; Query (leader) PDB : 5XVK; Ligand: SAH; Similar sites found: 272
This union binding pocket(no: 2) in the query (biounit: 5xvk.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LJU IP9 0.03693 0.40303 1.40845
2 3O7W SAM 0.000002522 0.57959 1.76056
3 1DL5 SAH 0.0001874 0.4411 1.76056
4 3TLJ SAH 0.0007425 0.43439 1.76056
5 4O1M NAD 0.00379 0.41461 1.76056
6 4Q9N NAI 0.004914 0.41119 1.76056
7 5U83 ZN8 0.01848 0.41384 1.88679
8 5GT9 NAP 0.002606 0.42277 1.90114
9 4NBU NAI 0.001804 0.42949 2
10 5T2U NAP 0.00518 0.4127 2.01613
11 3VSE SAH 0.0005826 0.47397 2.11268
12 2JHP SAH 0.001071 0.44723 2.11268
13 2DPM SAM 0.002385 0.41708 2.11268
14 4DCM SAM 0.00121 0.40275 2.11268
15 4FC7 COA 0.006938 0.41674 2.16606
16 4FC7 NAP 0.006938 0.41674 2.16606
17 3OU2 SAH 0.000004366 0.5092 2.29358
18 1XTP SAI 0.0000457 0.46252 2.3622
19 4FN4 NAD 0.0007971 0.44293 2.3622
20 4KRG SAH 0.000007829 0.54306 2.46479
21 1L1E SAH 0.0002198 0.46414 2.46479
22 5T67 JHZ 0.001022 0.45615 2.46479
23 5T67 SAH 0.0008848 0.4537 2.46479
24 2P41 SAH 0.001888 0.40606 2.46479
25 4MIG G3F 0.01857 0.40287 2.46479
26 5THZ SAH 0.0000002002 0.57911 2.46914
27 3FRH SAH 0.0002332 0.45479 2.7668
28 1RJD SAM 0.000007421 0.50448 2.8169
29 2UYQ SAM 0.0006705 0.48633 2.8169
30 4ONQ SFG 0.0005446 0.45591 2.8169
31 1KYZ SAH 0.004655 0.41856 2.8169
32 2CDU FAD 0.005639 0.41457 2.8169
33 4YAG NAI 0.008302 0.41332 2.8169
34 2AG5 NAD 0.002993 0.4189 2.84553
35 1I9G SAM 0.0007945 0.42572 2.85714
36 1XG5 NAP 0.002716 0.42202 2.86738
37 1P77 ATR 0.002095 0.46297 2.94118
38 3Q87 SAM 0.001283 0.42475 2.94118
39 1BC5 SAH 0.00007168 0.47556 2.97398
40 5ULP KB1 0.000868 0.4268 2.98507
41 2BZG SAH 0.000209 0.44063 3.01724
42 2ZWA SAH 0.000003722 0.53311 3.16901
43 5X62 SAH 0.00002986 0.51698 3.16901
44 1TPY SAH 0.0001119 0.47203 3.16901
45 1KPH SAH 0.0001265 0.46981 3.16901
46 5E9W SAH 0.000006006 0.46628 3.16901
47 1KPG SAH 0.0001066 0.46361 3.16901
48 1SQF SAM 0.0005093 0.42381 3.16901
49 2YY7 NAD 0.004135 0.41434 3.16901
50 3CH6 NAP 0.02568 0.40401 3.16901
51 3CH6 311 0.02568 0.40401 3.16901
52 2Y9G LAT 0.02501 0.41251 3.33333
53 2Y9G LBT 0.02501 0.41251 3.33333
54 4ITU 1HS 0.005704 0.42047 3.34572
55 4ITU NAI 0.003398 0.42047 3.34572
56 3EGI ADP 0.002543 0.4586 3.39806
57 4R6W SAH 0.00001987 0.44868 3.48837
58 4AZT SAM 0.00004397 0.50391 3.52113
59 1YXM ADE 0.0007462 0.48927 3.52113
60 4D42 W0I 0.004916 0.42947 3.52113
61 4D42 NAP 0.004916 0.42947 3.52113
62 1V59 NAD 0.007848 0.41968 3.52113
63 2E7Z MGD 0.006625 0.41047 3.52113
64 1VE3 SAM 0.00003813 0.50663 3.52423
65 2WSB NAD 0.005976 0.41765 3.54331
66 2HK9 ATR 0.01107 0.41653 3.63636
67 5FA8 SAM 0.0003462 0.44783 3.72671
68 5MGZ SAH 0.000002706 0.55073 3.81356
69 1Q0S SAH 0.002539 0.41439 3.861
70 5GM1 SAH 0.00001271 0.50603 3.87324
71 3PT9 SAH 0.0003866 0.46245 3.87324
72 5JJR SAH 0.001101 0.44248 3.87324
73 2ZIF SAM 0.001515 0.4325 3.87324
74 3PFG TLO 0.01646 0.42476 3.87324
75 3PFG SAM 0.01646 0.42476 3.87324
76 4XUC 43G 0.003633 0.42045 3.87324
77 4XUC SAM 0.003633 0.42045 3.87324
78 2JB2 FAD 0.005291 0.41894 3.87324
79 2JB2 PHE 0.005581 0.41894 3.87324
80 4N49 SAM 0.003204 0.41506 3.87324
81 1NV8 MEQ 0.00115 0.40568 3.87324
82 1NV8 SAM 0.001408 0.40309 3.87324
83 3LCV SAM 0.00002927 0.49133 3.91459
84 2WA2 SAM 0.0002358 0.42992 3.98551
85 3FZG SAM 0.000515 0.41413 4
86 2VDV SAM 0.00008323 0.50838 4.06504
87 5DX1 SFG 0.0003059 0.45369 4.22535
88 4C4A SAH 0.0002126 0.44395 4.22535
89 5DX0 SFG 0.0006133 0.44131 4.22535
90 5DX8 SFG 0.0005965 0.43825 4.22535
91 5DXA SFG 0.0006388 0.43704 4.22535
92 5DWQ SFG 0.0008273 0.43427 4.22535
93 5FTW SAH 0.00001872 0.50924 4.29688
94 3AYI HCI 0.0148 0.41029 4.29958
95 3AYI FAD 0.01426 0.41029 4.29958
96 3FUU ADN 0.00246 0.4021 4.42804
97 3D3W NAP 0.002047 0.42979 4.5082
98 1PR9 NAP 0.002252 0.42804 4.5082
99 5E5U MLI 0.04112 0.40075 4.52261
100 5HJM MTA 0.00161 0.43136 4.57746
101 2PT9 2MH 0.002246 0.42934 4.57746
102 4UCI SAM 0.0005289 0.42864 4.57746
103 2PT9 S4M 0.001784 0.42229 4.57746
104 1UWK URO 0.01116 0.41031 4.57746
105 1UWK NAD 0.01116 0.41031 4.57746
106 3X0D SAH 0.001795 0.40824 4.57746
107 3BXO SAM 0.000003105 0.48456 4.60251
108 3I53 SAH 0.0004414 0.43553 4.81928
109 1IY8 NAD 0.002342 0.42472 4.86891
110 5DNK SAH 0.000346 0.4047 4.92958
111 3DUW SAH 0.002556 0.40083 4.93274
112 1QXA GLY GLY GLY 0.01254 0.42184 5.10638
113 5N53 8NB 0.02795 0.40512 5.12821
114 3TKY SAH 0.0004601 0.43216 5.16304
115 3LEK BCW 0.01755 0.40825 5.22876
116 1XDS SAM 0.00008688 0.5075 5.28169
117 1QZZ SAM 0.0001065 0.50335 5.28169
118 5FA5 MTA 0.0002396 0.48148 5.28169
119 4Y2H SAH 0.0003982 0.46758 5.28169
120 4Y2H 49K 0.0005861 0.46032 5.28169
121 2JK0 ASP 0.02295 0.40741 5.28169
122 2CI5 HCS 0.03156 0.40066 5.28169
123 1IM8 SAI 0.000039 0.4765 5.32787
124 3H2B SAH 0.000006656 0.53392 5.41872
125 4OBW SAM 0.00002239 0.51679 5.44747
126 2F5X ASP 0.0309 0.40338 5.44872
127 2PD4 DCN 0.0102 0.40244 5.45455
128 2PD4 NAD 0.01116 0.40078 5.45455
129 3DXY SAM 0.0001533 0.50181 5.50459
130 3T7S SAM 0.000004872 0.49903 5.59701
131 3X01 AMP 0.01352 0.42336 5.6338
132 5IL1 SAM 0.003009 0.42329 5.6338
133 1N2X SAM 0.001608 0.42078 5.6338
134 5K7U SAM 0.006637 0.40816 5.6338
135 5JE0 SAH 0.00001436 0.51759 5.66802
136 5JE0 AZ8 0.00001436 0.51759 5.66802
137 1L3I SAH 0.0004479 0.43165 5.72917
138 1QAN SAH 0.0002485 0.4577 5.7377
139 5ITV NAI 0.001611 0.43155 5.88235
140 1F3L SAH 0.0004057 0.44889 5.98592
141 4LWP SAH 0.0002571 0.43803 5.98592
142 3A4T SFG 0.002469 0.41645 5.98592
143 3GCZ SAM 0.0009666 0.44496 6.02837
144 5XLX SAH 0.0004359 0.42646 6.02837
145 3G6N MET ALA SER 0.02228 0.40959 6.28272
146 4AZW SAM 0.0001184 0.45315 6.33803
147 5L1O 7PF 0.01675 0.41846 6.33803
148 3S1S SAH 0.001983 0.41708 6.33803
149 1E5Q NDP 0.001152 0.40016 6.33803
150 3JWH SAH 0.0000006595 0.49921 6.45161
151 1QG6 NAD 0.01224 0.40681 6.51341
152 1QG6 TCL 0.01224 0.40681 6.51341
153 2BD0 NAP 0.0003687 0.4599 6.55738
154 3GDH SAH 0.001039 0.42296 6.639
155 3NDJ JHZ 0.0006882 0.4647 6.69014
156 3NDJ SAH 0.0006882 0.4647 6.69014
157 5F2K SAH 0.001081 0.44019 6.69014
158 5F2K OCA 0.001081 0.44019 6.69014
159 3GXO SAH 0.0001554 0.43524 6.69014
160 3C6K MTA 0.002034 0.43356 6.69014
161 3C6K SPD 0.002034 0.43356 6.69014
162 3GWZ SAH 0.0002415 0.42512 6.69014
163 4RDH AMP 0.009112 0.40894 6.69014
164 3OID NDP 0.009404 0.40171 6.69014
165 3H8V ATP 0.001831 0.40044 6.69014
166 1SQL GUN 0.02033 0.41377 6.84932
167 4KIB SAH 0.00007085 0.44876 7.04225
168 5BW4 SAM 0.0001583 0.44054 7.04225
169 4YMH SAH 0.0008512 0.43935 7.08333
170 2HNK SAH 0.005936 0.40374 7.11297
171 2FK8 SAM 0.0001535 0.45199 7.39437
172 1WG8 SAM 0.0003048 0.45195 7.39437
173 3LKZ SFG 0.001292 0.43548 7.39437
174 2JJQ SAH 0.0001636 0.4241 7.39437
175 3GRU AMP 0.003165 0.40884 7.39437
176 2IID FAD 0.02413 0.40136 7.39437
177 2IID PHE 0.02413 0.40136 7.39437
178 1JG3 ADN 0.0005363 0.42154 7.65957
179 3VC1 SAH 0.0001364 0.48894 7.69231
180 3VC1 GST 0.0001364 0.48894 7.69231
181 2AE2 PTO 0.003564 0.42742 7.69231
182 2AE2 NAP 0.003564 0.42742 7.69231
183 5MPT SAH 0.00000001118 0.66179 7.74648
184 4PNE SAH 0.000002106 0.53768 7.74648
185 3GU3 SAH 0.00003897 0.5373 7.74648
186 2EG5 SAH 0.00006015 0.51499 7.74648
187 4C3Y FAD 0.009367 0.4101 7.74648
188 4C3Y ANB 0.013 0.4082 7.74648
189 5SWI BMA 0.04441 0.40157 7.74648
190 2PXX SAH 0.0000007454 0.57482 7.90698
191 3BGD SAH 0.0003924 0.44562 8.07692
192 3BGD PM6 0.0005486 0.42134 8.07692
193 1G60 SAM 0.001036 0.41585 8.07692
194 5F8F SFG 0.00003096 0.52223 8.09859
195 3VYW SAM 0.002509 0.41955 8.09859
196 4E70 N7I 0.006098 0.40596 8.09859
197 4QTU SAM 0.0000006457 0.5775 8.14815
198 5M58 SAH 0.000002363 0.51605 8.26087
199 5E1M SAH 0.000009433 0.53032 8.29876
200 5E1M PRO PRO LYS ARG ILE ALA 0.000009433 0.53032 8.29876
201 4BLW SAH 0.002791 0.40218 8.3045
202 1O5I NAD 0.003197 0.41853 8.43373
203 4PIO AVI 0.0002895 0.4062 8.4507
204 4PIO SAH 0.0002977 0.40198 8.4507
205 4POO SAM 0.004281 0.40513 8.5
206 5CUQ NSC 0.001385 0.43566 8.61423
207 4BKS X6C 0.02607 0.40793 8.65385
208 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 0.0158 0.40888 8.71795
209 1UKG MMA 0.02316 0.40466 8.73016
210 1Q8S MAN MMA 0.02762 0.40445 8.73016
211 1Q8Q MAN MMA 0.03071 0.4019 8.73016
212 4IWN GEK 0.00002781 0.49223 8.73362
213 3ABI NAD 0.0005928 0.44831 8.80282
214 4NEC SAH 0.000002387 0.49685 9.15493
215 5MW4 5JU 0.0007034 0.45802 9.15493
216 3QOX SAH 0.0002599 0.45288 9.15493
217 3ML1 MGD 0.01701 0.41699 9.15493
218 5N5D SAM 0.001898 0.40632 9.29204
219 5KOK S9T 0.0001498 0.47931 9.50704
220 5KOK R9T 0.0006494 0.45091 9.50704
221 5KOK SAH 0.000157 0.45 9.50704
222 4DMG SAM 0.002238 0.4459 9.50704
223 1FWV SGA MAG FUC 0.02209 0.4021 9.70149
224 5JGL SAM 0.0000001119 0.54707 9.85915
225 4M73 M72 0.00008771 0.49338 9.85915
226 4M73 SAH 0.0001054 0.4886 9.85915
227 4FZV SAM 0.001785 0.42578 9.85915
228 1G55 SAH 0.0002993 0.4376 10.2113
229 1AE1 NAP 0.002828 0.42385 10.2564
230 3G2O SAM 0.000007731 0.49186 10.5634
231 3G89 SAM 0.000005741 0.47027 10.5634
232 1EFV FAD 0.02257 0.40403 10.5882
233 1EFV AMP 0.02293 0.40372 10.5882
234 2ZFU SAH 0.0002189 0.44663 10.6977
235 1NFQ NAI 0.006493 0.40734 10.7692
236 3EVG SAH 0.001123 0.4421 10.9091
237 4KRI SAH 0.0000009101 0.56461 11.2676
238 1Z3C SA8 0.00002639 0.50478 11.2676
239 1R18 SAH 0.0001815 0.45458 11.4537
240 1XCL SAH 0.0001334 0.4785 11.4894
241 2AOT SAH 0.000002439 0.57284 11.6197
242 1JQD SAH 0.00004289 0.49597 11.6197
243 1JQD HSM 0.0002593 0.45839 11.6197
244 2EJU SAH 0.001288 0.43948 11.6197
245 1EJ0 SAM 0.001171 0.41291 11.6667
246 1JQ3 AAT 0.002863 0.42362 11.9718
247 3KIF GDL 0.01737 0.41524 12.2642
248 4M38 SAH 0.0005337 0.43313 12.3239
249 3MQ2 SAH 0.00002504 0.52041 12.3853
250 1B09 PC 0.01619 0.42042 12.6214
251 5E72 SAM 0.002202 0.41151 13.0282
252 3EGV SAH 0.004155 0.42078 13.3858
253 2NXE SAM 0.001076 0.40923 13.3858
254 1P1C SAH 0.0003632 0.44698 13.5678
255 4V3I ASP LEU THR ARG PRO 0.003252 0.45577 13.6187
256 3P2E SAH 0.0001142 0.45837 13.7778
257 3LCC SAH 0.000007336 0.48871 14.0426
258 5THY SAH 0.0000001108 0.60317 14.0741
259 3KLJ FAD 0.01016 0.40028 14.0845
260 1I1N SAH 0.000262 0.42872 15.1408
261 1WY7 SAH 0.001333 0.42753 15.4589
262 3DMH GMP 0.001351 0.4304 15.493
263 3DMH SAM 0.000663 0.42836 15.493
264 2O07 SPD 0.003019 0.41875 15.8451
265 2O07 MTA 0.002582 0.41875 15.8451
266 2XVM SAH 0.0000004348 0.6154 16.0804
267 3OFK SAH 0.0002681 0.45633 17.5926
268 1U2Z SAH 0.003326 0.40796 17.6056
269 5E8J SAH 0.000008563 0.5547 18.1818
270 5C2N NAG 0.0298 0.4033 18.75
271 5GWX SAR 0.00009187 0.45352 19.0141
272 5GWX SAM 0.00009187 0.45352 19.0141
Pocket No.: 3; Query (leader) PDB : 5XVK; Ligand: SAH; Similar sites found: 11
This union binding pocket(no: 3) in the query (biounit: 5xvk.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JIE BMA 0.006204 0.44072 1.76056
2 3BY9 SIN 0.03627 0.40068 2.69231
3 1Y8Q ATP 0.005066 0.40053 3.16901
4 2Z3Y F2N 0.01027 0.41017 4.57746
5 4YNU FAD 0.01778 0.4005 4.57746
6 1Q9I TEO 0.02201 0.40453 4.92958
7 1Q9I FAD 0.02201 0.40453 4.92958
8 1FLJ GSH 0.008034 0.44229 6.15385
9 5J60 FAD 0.01363 0.40204 6.33803
10 5BUK FAD 0.01823 0.40002 14.7887
11 1G8K MGD 0.03438 0.40158 21.8045
Pocket No.: 4; Query (leader) PDB : 5XVK; Ligand: 8GC; Similar sites found: 11
This union binding pocket(no: 4) in the query (biounit: 5xvk.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DV2 C5P 0.01733 0.41055 1.40845
2 1JXZ BCA 0.03204 0.40821 1.85874
3 5LKT BCO 0.03422 0.40198 2.46479
4 5C5H 4YB 0.03061 0.4055 2.8169
5 3OJI PYV 0.02903 0.40059 3.1746
6 1UU1 PMP HSA 0.02565 0.4039 4.22535
7 3TFJ THG 0.02457 0.41347 4.92958
8 3FAL LO2 0.04138 0.4041 5.26316
9 3KJD 78P 0.03359 0.40125 5.28169
10 3DDC GNP 0.02255 0.41542 7.36196
11 2WL5 COA 0.03063 0.40093 9.15493
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