Receptor
PDB id Resolution Class Description Source Keywords
3LGS 2.2 Å EC: 3.2.2.16 A. THALIANA MTA NUCLEOSIDASE IN COMPLEX WITH S-ADENOSYLHOMOC ARABIDOPSIS THALIANA HYDROLASE
Ref.: MECHANISM OF SUBSTRATE SPECIFICITY IN 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUCLE J.STRUCT.BIOL. V. 173 86 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:269;
B:269;
C:269;
D:269;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 1.7 uM
135.127 C5 H5 N5 c1[nH...
EDO A:2638;
A:270;
B:2638;
B:270;
B:271;
C:2638;
D:2638;
D:270;
D:271;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SAH A:268;
B:268;
C:268;
D:268;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 24.8 uM
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LGS 2.2 Å EC: 3.2.2.16 A. THALIANA MTA NUCLEOSIDASE IN COMPLEX WITH S-ADENOSYLHOMOC ARABIDOPSIS THALIANA HYDROLASE
Ref.: MECHANISM OF SUBSTRATE SPECIFICITY IN 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUCLE J.STRUCT.BIOL. V. 173 86 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2H8G - ADE C5 H5 N5 c1[nH]c2c(....
2 2QTG Ki = 8.3 uM MTH C12 H16 N4 O3 S CSC[C@@H]1....
3 3LGS Kd = 1.7 uM ADE C5 H5 N5 c1[nH]c2c(....
4 2QTT Ki = 48 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2H8G - ADE C5 H5 N5 c1[nH]c2c(....
2 2QTG Ki = 8.3 uM MTH C12 H16 N4 O3 S CSC[C@@H]1....
3 3LGS Kd = 1.7 uM ADE C5 H5 N5 c1[nH]c2c(....
4 2QTT Ki = 48 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2H8G - ADE C5 H5 N5 c1[nH]c2c(....
2 2QTG Ki = 8.3 uM MTH C12 H16 N4 O3 S CSC[C@@H]1....
3 3LGS Kd = 1.7 uM ADE C5 H5 N5 c1[nH]c2c(....
4 2QTT Ki = 48 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
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 : 3LGS; Ligand: ADE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3lgs.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3LGS; 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: 3lgs.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3LGS; Ligand: ADE; Similar sites found: 45
This union binding pocket(no: 3) in the query (biounit: 3lgs.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EW9 5VC 0.04749 0.41539 1.1236
2 5KJW 53C 0.0249 0.40074 1.1236
3 3HNB 768 0.02287 0.43261 1.25786
4 2A8Y MTA 0.000008682 0.52759 2.24719
5 4YJK URA 0.00001577 0.41902 2.38095
6 5EWK P34 0.007382 0.43023 2.5
7 1ODJ GMP 0.000002535 0.56904 2.55319
8 5F7J ADE 0.000004433 0.52637 2.99625
9 1KGI T4A 0.009739 0.40082 3.14961
10 2P4S DIH 0.000009247 0.48779 3.74532
11 3MBI HSX 0.01392 0.4091 3.74532
12 2XIQ MLC 0.0109 0.40704 3.74532
13 5FUI APY 0.01142 0.40294 3.78788
14 1GZF NIR 0.01135 0.4181 3.79147
15 1JE1 GMP 0.00001087 0.42271 3.81356
16 5ETJ IM5 0.00006503 0.51814 4.11985
17 4ISS TAR 0.01715 0.40791 4.11985
18 1OSS BEN 0.0217 0.4037 4.4843
19 1VMK GUN 0.000006497 0.44125 4.86891
20 3EUF BAU 0.00007281 0.46464 5.24345
21 3W68 PBU 0.01924 0.41085 6.01504
22 1U1F 183 0.000022 0.54916 6.25
23 3R4S SIA 0.02064 0.40315 6.36704
24 1GYY FHC 0.02227 0.40069 6.57895
25 1B8O IMH 0.00001895 0.45804 6.74157
26 1TZD ADP 0.01491 0.41468 7.11611
27 3QPB URA 0.00005474 0.41334 7.11611
28 3QPB R1P 0.0007252 0.41124 7.11611
29 3DJF BC3 0.00004369 0.50403 9.3633
30 5IFK HPA 0.0000004976 0.65452 10.1124
31 5H9O GLC 0.0241 0.4036 10.2273
32 3BJE URA 0.0000009966 0.463 10.4869
33 3BJE R1P 0.0001916 0.42364 10.4869
34 1NW4 IMH 0.000002177 0.57208 14.2322
35 3KVY URA 0.00002093 0.44083 14.2322
36 3KVY R2B 0.0002693 0.40058 14.2322
37 1Q8A HCS 0.01851 0.4091 15.3558
38 1G2O IMH 0.0000203 0.5211 15.7303
39 4TXJ THM 0.000005516 0.55598 16.8539
40 1VHW ADN 0.000003364 0.57929 28.0632
41 4QAR ADE 0.00000004397 0.64986 29.3532
42 3U40 ADN 0.0000004576 0.55239 31.8182
43 5MX4 HPA 0.00000001955 0.72429 32.618
44 4WKB TDI 0.0000000000195 0.77548 33.1967
45 4BMX ADE 0.0000000001902 0.7249 37.8486
Pocket No.: 4; Query (leader) PDB : 3LGS; Ligand: SAH; Similar sites found: 47
This union binding pocket(no: 4) in the query (biounit: 3lgs.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EW9 5VC 0.04749 0.41539 1.1236
2 5KJW 53C 0.0249 0.40074 1.1236
3 3HNB 768 0.02287 0.43261 1.25786
4 1K27 MTM 0.000008013 0.5291 1.87266
5 2A8Y MTA 0.000008682 0.52759 2.24719
6 4YJK URA 0.00001577 0.41902 2.38095
7 5EWK P34 0.007382 0.43023 2.5
8 1ODJ GMP 0.000002535 0.56904 2.55319
9 4GLJ RHB 0.0004183 0.44407 2.62172
10 1GR0 NAD 0.01778 0.40196 2.62172
11 5F7J ADE 0.000004433 0.52637 2.99625
12 1KGI T4A 0.009739 0.40082 3.14961
13 2P4S DIH 0.000009247 0.48779 3.74532
14 3MBI HSX 0.01392 0.4091 3.74532
15 5FUI APY 0.01142 0.40294 3.78788
16 1JE1 GMP 0.00001087 0.54788 3.81356
17 5ETJ IM5 0.00006503 0.51814 4.11985
18 4ISS TAR 0.01715 0.40791 4.11985
19 1VMK GUN 0.000006497 0.44125 4.86891
20 3KYF 5GP 5GP 0.01584 0.40219 5.19481
21 3P0F BAU 0.0001023 0.4896 5.24345
22 3EUF BAU 0.00007281 0.46464 5.24345
23 1U1F 183 0.000022 0.54916 6.25
24 3R4S SIA 0.02064 0.40315 6.36704
25 1B8O IMH 0.00001895 0.5242 6.74157
26 3QPB URA 0.00005474 0.41334 7.11611
27 3QPB R1P 0.0007252 0.41124 7.11611
28 3DJF BC3 0.00004369 0.50403 9.3633
29 5IFK HPA 0.0000004976 0.65452 10.1124
30 5H9O GLC 0.0241 0.4036 10.2273
31 3BJE URA 0.0000009966 0.463 10.4869
32 3BJE R1P 0.0001916 0.42364 10.4869
33 1NW4 IMH 0.000002177 0.57208 14.2322
34 3KVY URA 0.00002093 0.44083 14.2322
35 3KVY R2B 0.0002693 0.40058 14.2322
36 1Q8A HCS 0.01851 0.4091 15.3558
37 1G2O IMH 0.0000203 0.5211 15.7303
38 4TXJ THM 0.000005516 0.55598 16.8539
39 1VHW ADN 0.000003364 0.5 28.0632
40 4QAR ADE 0.00000004397 0.64986 29.3532
41 4DA6 GA2 0.000002627 0.52332 29.6443
42 1Z34 2FD 0.000004347 0.56588 31.0638
43 3U40 ADN 0.0000004576 0.55239 31.8182
44 2AC7 ADN 0.00001068 0.53728 32.3404
45 5MX4 HPA 0.00000001955 0.72429 32.618
46 4WKB TDI 0.0000000000195 0.77548 33.1967
47 4BMX ADE 0.0000000001902 0.7249 37.8486
Pocket No.: 5; Query (leader) PDB : 3LGS; Ligand: SAH; Similar sites found: 35
This union binding pocket(no: 5) in the query (biounit: 3lgs.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5U3F 7TS 0.006583 0.42 1.49813
2 1R37 NAD 0.01407 0.42034 2.62172
3 4WCX MET 0.01164 0.41423 2.62172
4 3WLE NAD 0.03506 0.40231 2.62172
5 1H2B NAJ 0.03219 0.40114 2.62172
6 2RDE C2E 0.004283 0.41641 3.18725
7 1WDK NAD 0.002797 0.44124 3.37079
8 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.01016 0.41951 3.37079
9 4CE5 PDG 0.01311 0.41189 3.37079
10 1IYE PGU 0.0232 0.40608 3.37079
11 2XIQ MLC 0.01213 0.41762 3.74532
12 4CMF PXG 0.0146 0.40667 3.74532
13 2A0W DIH 0.003556 0.47866 4.11985
14 4UUG PXG 0.009866 0.41643 4.11985
15 2IV2 2MD 0.00969 0.42496 4.49438
16 2Q2V NAD 0.0303 0.40247 4.70588
17 2QHV OC9 0.01095 0.40604 4.7619
18 3BGD SAH 0.01694 0.40355 5
19 3BGD PM6 0.0222 0.40337 5
20 1Q19 APC 0.01048 0.41037 5.24345
21 3FIU AMP 0.009591 0.40444 5.62249
22 4Q3F TLA 0.009295 0.42116 5.98291
23 4PIO AVI 0.02116 0.40689 6.36704
24 1T90 NAD 0.02394 0.40539 6.36704
25 2C5S AMP 0.01291 0.40257 6.36704
26 3DAA PDD 0.006444 0.42044 6.74157
27 2P3C 3TL 0.03063 0.40628 7.07071
28 2BZG SAH 0.01314 0.40217 7.32759
29 1REQ DCA 0.04835 0.40044 7.49064
30 2HSA FMN 0.02723 0.40022 7.49064
31 4B6C B5U 0.01034 0.40317 8.16327
32 1C3X 8IG 0.00008716 0.42908 9.02256
33 1A69 FMB 0.03679 0.44349 12.1849
34 1Q0S SAH 0.0117 0.41284 12.7413
35 3F8K COA 0.01181 0.41111 15
Pocket No.: 6; Query (leader) PDB : 3LGS; Ligand: ADE; Similar sites found: 105
This union binding pocket(no: 6) in the query (biounit: 3lgs.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U1B PAX 0.0123 0.43463 None
2 2CYE COA 0.0176 0.41505 None
3 5M3E APR 0.0265 0.41122 1.21212
4 1K27 MTM 0.0000001428 0.67909 1.87266
5 3CMC NAD 0.03331 0.43623 1.87266
6 1CT9 AMP 0.01485 0.40099 1.87266
7 2DTX BMA 0.0431 0.41039 1.89394
8 1VKF CIT 0.007767 0.40971 2.12766
9 3WG6 NDP 0.02761 0.41345 2.24719
10 3NEM AMO 0.03805 0.40109 2.24719
11 2WME NAP 0.02672 0.40011 2.24719
12 5FH7 5XL 0.01435 0.40369 2.41935
13 4GLJ RHB 0.000006296 0.44275 2.62172
14 2C78 PUL 0.022 0.43843 2.62172
15 1GAD NAD 0.01649 0.42316 2.62172
16 2ADA HPR 0.01229 0.41722 2.62172
17 3G6K FAD 0.03162 0.41152 2.62172
18 3G6K POP 0.02877 0.41152 2.62172
19 3UZO PLP 0.0153 0.40538 2.62172
20 1KOJ PAN 0.02508 0.40452 2.62172
21 4GLL NAD 0.04831 0.40224 2.62172
22 1O94 AMP 0.01603 0.4108 2.99625
23 4S3R 7SA 0.03811 0.40742 2.99625
24 3ESS 18N 0.006917 0.402 3.04348
25 2RDE C2E 0.001459 0.4561 3.18725
26 1WDK NAD 0.004897 0.44765 3.37079
27 4R84 CSF 0.006474 0.4283 3.37079
28 4CE5 PDG 0.01363 0.42527 3.37079
29 1IYE PGU 0.0242 0.41802 3.37079
30 3EYA FAD 0.03849 0.41232 3.37079
31 1ORR NAD 0.03929 0.40724 3.37079
32 3KJS NAP 0.03453 0.40714 3.37079
33 4PAB THG 0.02028 0.4057 3.37079
34 5IFS ADP 0.02063 0.40043 3.37553
35 4Z9D NAD 0.02627 0.40147 3.42857
36 2TPI ILE VAL 0.002854 0.44892 3.49345
37 1OG1 TAD 0.02985 0.40249 3.53982
38 5X8G S0N 0.01393 0.44587 3.74532
39 4CMF PXG 0.01194 0.42547 3.74532
40 4R74 F6P 0.01162 0.42322 3.74532
41 2ZYJ PGU 0.02689 0.41125 3.74532
42 3MJE NDP 0.03022 0.40868 3.74532
43 1GZF ADP 0.01832 0.40839 3.79147
44 1GZF NAD 0.02523 0.40411 3.79147
45 2A0W DIH 0.0004774 0.54805 4.11985
46 4UUG PXG 0.01046 0.43002 4.11985
47 4GV4 MEJ 0.01734 0.41031 4.11985
48 4EN4 GT1 0.04862 0.4085 4.11985
49 4EN4 ATP 0.04862 0.4085 4.11985
50 4EN4 GT0 0.04862 0.4085 4.11985
51 2Q4W FAD 0.04088 0.40829 4.11985
52 5NJI 8Z2 0.03618 0.40418 4.11985
53 4UCI SAM 0.02914 0.40014 4.11985
54 2QHS OCA 0.008115 0.41749 4.21941
55 4H2D FMN 0.01325 0.41472 4.24242
56 4FK7 P34 0.00169 0.40698 4.36681
57 3LF0 ATP 0.01142 0.4252 4.38596
58 2TPS TPS 0.03852 0.40144 4.40529
59 3VET TOY 0.0419 0.42619 4.49438
60 1F76 FMN 0.03143 0.40556 4.49438
61 2WOE AR6 0.03036 0.40125 4.49438
62 2A5F NAD 0.007661 0.42416 4.57143
63 1XK9 P34 0.02871 0.40053 4.65116
64 5UAV TFB 0.04102 0.41059 4.86891
65 5UAV NDP 0.03937 0.41059 4.86891
66 4MSG 2C6 0.03049 0.4171 5.06912
67 3P0F BAU 0.00004174 0.45184 5.24345
68 1Q19 APC 0.005776 0.43857 5.24345
69 3T4L ZEA 0.008764 0.42395 5.24345
70 5AHW CMP 0.01117 0.41607 5.44218
71 3L4S 3PG 0.01288 0.43656 5.61798
72 3L4S NAD 0.01228 0.43656 5.61798
73 2C91 NAP 0.04984 0.40526 5.61798
74 4Q3F TLA 0.01305 0.40372 5.98291
75 4BUZ OCZ 0.0404 0.40593 6.09756
76 4BUZ OAD 0.04067 0.40578 6.09756
77 4BUZ NAD 0.04059 0.40247 6.09756
78 1OVD FMN 0.03158 0.41714 6.36704
79 1OVD ORO 0.03158 0.41714 6.36704
80 2J9D AMP 0.008798 0.42423 6.72269
81 2J9D ADP 0.01545 0.4168 6.72269
82 2J9C ATP 0.02563 0.41095 6.72269
83 4DE9 VTP 0.007099 0.44607 6.74157
84 3DAA PDD 0.01316 0.42054 6.74157
85 3B1J NAD 0.02754 0.41419 6.74157
86 3B20 NAD 0.02909 0.40802 6.74157
87 1REQ DCA 0.02034 0.43212 7.49064
88 3B82 NAD 0.02659 0.40802 8.2397
89 2EWM NAD 0.04583 0.40112 8.43373
90 4E13 NAD 0.02455 0.40738 8.98876
91 1C3X 8IG 0.00005492 0.48245 9.02256
92 3TKY SAH 0.02246 0.40713 9.3633
93 1JV1 UD1 0.01306 0.43132 10.1124
94 1KYZ FER 0.01852 0.42077 10.4869
95 3QV1 NAD 0.02779 0.40878 10.9756
96 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.01611 0.40452 11.1111
97 1A69 FMB 0.01453 0.48134 12.1849
98 3UWV 2PG 0.02364 0.40688 12.6437
99 5XDT MB3 0.04748 0.40468 12.987
100 2EQA AMP 0.0151 0.42103 13.1086
101 1J17 ZEN 0.02033 0.40351 16.1435
102 1GQG DCD 0.03008 0.40212 17.1429
103 4DA6 GA2 0.000002227 0.6027 29.6443
104 1Z34 2FD 0.000003356 0.50798 31.0638
105 2AC7 ADN 0.00000102 0.6492 32.3404
Pocket No.: 7; Query (leader) PDB : 3LGS; Ligand: ADE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3lgs.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3LGS; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3lgs.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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