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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: 211
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 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
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 ADN 0.573333 0.84058
19 RAB 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 SMM 0.536842 0.88
28 SSA 0.536842 0.712644
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 A 0.529412 0.763158
36 LMS 0.529412 0.694118
37 AMP 0.529412 0.763158
38 5CA 0.525773 0.712644
39 ME8 0.524752 0.8125
40 M2T 0.52439 0.821918
41 6RE 0.523256 0.824324
42 GJV 0.522727 0.813333
43 AAT 0.515789 0.863014
44 LSS 0.515152 0.696629
45 KAA 0.514852 0.727273
46 J7C 0.511364 0.835616
47 A5A 0.510417 0.697674
48 SON 0.505495 0.805195
49 SRP 0.505155 0.805195
50 F0P 0.504505 0.915493
51 54H 0.5 0.681818
52 VMS 0.5 0.681818
53 ADX 0.5 0.694118
54 CA0 0.5 0.769231
55 AMO 0.5 0.805195
56 5AL 0.5 0.779221
57 KH3 0.5 0.866667
58 NVA LMS 0.49505 0.707865
59 AHX 0.49505 0.753086
60 TSB 0.494949 0.689655
61 53H 0.494949 0.674157
62 G5A 0.494737 0.712644
63 ABM 0.494382 0.74359
64 A2D 0.494382 0.74359
65 ZAS 0.494253 0.808219
66 A6D 0.490196 0.759494
67 8QN 0.49 0.779221
68 GEK 0.49 0.956522
69 GAP 0.489583 0.769231
70 AN2 0.48913 0.734177
71 A3S 0.48913 0.884058
72 S4M 0.488889 0.831169
73 SRA 0.488636 0.746835
74 LAD 0.485437 0.810127
75 52H 0.484848 0.674157
76 A12 0.483516 0.759494
77 BA3 0.483516 0.74359
78 AP2 0.483516 0.759494
79 NEC 0.483146 0.788732
80 AOC 0.483146 0.842857
81 Y3J 0.481481 0.768116
82 VRT 0.479167 0.861111
83 50T 0.478723 0.734177
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 5AS 0.478261 0.655556
87 AP5 0.478261 0.74359
88 A3N 0.477778 0.830986
89 YSA 0.476636 0.712644
90 XAH 0.476636 0.768293
91 0XU 0.473684 0.897059
92 AT4 0.473118 0.7375
93 WAQ 0.471154 0.807692
94 NSS 0.470588 0.712644
95 5AD 0.468354 0.791045
96 AU1 0.468085 0.725
97 M33 0.468085 0.734177
98 MAO 0.467391 0.797468
99 TXA 0.466667 0.759494
100 NB8 0.466667 0.775
101 A3G 0.466667 0.871429
102 3AM 0.465909 0.727273
103 DAL AMP 0.465347 0.779221
104 8X1 0.465347 0.707865
105 A3T 0.463158 0.842857
106 ATP 0.463158 0.74359
107 HEJ 0.463158 0.74359
108 ACP 0.463158 0.746835
109 7D7 0.4625 0.785714
110 LEU LMS 0.461538 0.688889
111 9ZA 0.460784 0.740741
112 9ZD 0.460784 0.740741
113 5FA 0.458333 0.74359
114 AQP 0.458333 0.74359
115 AR6 0.458333 0.766234
116 APC 0.458333 0.759494
117 APR 0.458333 0.766234
118 PRX 0.458333 0.746835
119 F2R 0.457627 0.75
120 IOT 0.456897 0.761905
121 4AD 0.456311 0.794872
122 PAJ 0.456311 0.722892
123 WSA 0.45614 0.72093
124 YAP 0.453704 0.794872
125 8PZ 0.453704 0.712644
126 FA5 0.453704 0.805195
127 ADP PO3 0.453608 0.763158
128 ADV 0.453608 0.782051
129 NVA 2AD 0.453608 0.849315
130 SAP 0.453608 0.728395
131 AGS 0.453608 0.728395
132 RBY 0.453608 0.782051
133 AD9 0.453608 0.725
134 PTJ 0.45283 0.731707
135 MHZ 0.452632 0.797468
136 00A 0.451923 0.740741
137 A3P 0.451613 0.74026
138 YLP 0.451327 0.771084
139 7MD 0.45045 0.768293
140 ALF ADP 0.45 0.707317
141 ADP ALF 0.45 0.707317
142 2VA 0.447917 0.819444
143 OOB 0.446602 0.779221
144 ANP 0.444444 0.725
145 T99 0.444444 0.7375
146 ACQ 0.444444 0.746835
147 TAT 0.444444 0.7375
148 P5A 0.443396 0.719101
149 7D5 0.443182 0.708861
150 A1R 0.442308 0.7625
151 YLC 0.439655 0.790123
152 2AM 0.438202 0.717949
153 DLL 0.438095 0.779221
154 ARG AMP 0.4375 0.759036
155 A22 0.436893 0.734177
156 D3Y 0.436893 0.859155
157 ATF 0.435644 0.716049
158 MYR AMP 0.435185 0.746988
159 80F 0.434426 0.75
160 SO8 0.434343 0.808219
161 OAD 0.433962 0.769231
162 3UK 0.433962 0.769231
163 TAD 0.433628 0.765432
164 25A 0.432692 0.74359
165 6YZ 0.431373 0.746835
166 VO4 ADP 0.431373 0.734177
167 ADP VO4 0.431373 0.734177
168 9SN 0.431193 0.731707
169 TYM 0.431034 0.805195
170 B5V 0.429907 0.759494
171 PR8 0.429907 0.8
172 ADQ 0.428571 0.746835
173 YLB 0.42735 0.771084
174 9K8 0.425926 0.67033
175 1ZZ 0.425926 0.746988
176 FYA 0.425926 0.779221
177 3OD 0.425926 0.769231
178 PPS 0.425743 0.674419
179 MAP 0.423077 0.707317
180 A2P 0.421053 0.727273
181 4YB 0.421053 0.735632
182 9X8 0.420561 0.75
183 ADP BMA 0.420561 0.746835
184 TYR AMP 0.419643 0.794872
185 5SV 0.419048 0.731707
186 3NZ 0.416667 0.824324
187 YLA 0.416667 0.771084
188 8Q2 0.415254 0.688889
189 A3R 0.415094 0.7625
190 B5Y 0.414414 0.75
191 B5M 0.414414 0.75
192 48N 0.413793 0.753086
193 LPA AMP 0.413793 0.768293
194 AYB 0.413223 0.761905
195 ACK 0.413043 0.710526
196 QQY 0.413043 0.696203
197 BIS 0.412844 0.719512
198 JB6 0.412844 0.7625
199 PAP 0.41 0.730769
200 DQV 0.408696 0.75641
201 OVE 0.408602 0.7125
202 AMP DBH 0.40708 0.746835
203 4UV 0.40708 0.75
204 3AD 0.406977 0.852941
205 AF3 ADP 3PG 0.40678 0.743902
206 OMR 0.40678 0.738095
207 LAQ 0.405172 0.768293
208 A A 0.40367 0.74359
209 7C5 0.403509 0.789474
210 7MC 0.403361 0.75
211 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 with APoc: 94
This union binding pocket(no: 1) in the query (biounit: 3lgs.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6FMC DUE None
2 6ACS CIT 1.16279
3 3HNB 768 1.25786
4 5U3F 7TS 1.49813
5 1K27 MTM 1.87266
6 5ZA2 NXL 1.87266
7 1VKF CIT 2.12766
8 2A8Y MTA 2.24719
9 4YJK URA 2.38095
10 1ODJ GMP 2.55319
11 1RJW ETF 2.62172
12 4GLJ RHB 2.62172
13 4WCX MET 2.62172
14 3JQ8 DX3 2.62172
15 6BQC LOP 2.62172
16 3BMO AX4 2.62172
17 4LY9 1YY 2.62172
18 5F7J ADE 2.99625
19 1KGI T4A 3.14961
20 2RDE C2E 3.18725
21 4CE5 PDG 3.37079
22 3EGI ADP 3.39806
23 2P4S DIH 3.74532
24 4FXQ G9L 3.74532
25 5FUI APY 3.78788
26 1GZF NIR 3.79147
27 1JE1 GMP 3.81356
28 2A0W DIH 4.11985
29 5ETJ IM5 4.11985
30 5LY1 PPI 4.11985
31 4FK7 P34 4.36681
32 2PYY GLU 4.38596
33 2UYQ SAM 4.49438
34 2IV2 2MD 4.49438
35 6CI9 F3V 4.6332
36 2FKA BEF 4.65116
37 2QHV OC9 4.7619
38 1VMK GUN 4.86891
39 3BOF HCS 4.86891
40 5CLO NS8 5.08475
41 3KYF 5GP 5GP 5.19481
42 3EUF BAU 5.24345
43 3P0F BAU 5.24345
44 4K7O EKZ 5.35714
45 2OYS FMN 5.3719
46 5BYK A3P 5.40541
47 5BYK OAQ 5.40541
48 5DYO FLU 5.50459
49 3FIU AMP 5.62249
50 6C5F 7L9 5.98291
51 1GPM AMP 5.99251
52 1U1F 183 6.25
53 4RF7 ARG 6.36704
54 5JIB OIA 6.36704
55 5XNC MTA 6.36704
56 1GYY FHC 6.57895
57 1B8O IMH 6.74157
58 3DAA PDD 6.74157
59 1TZD ADP 7.11611
60 3QPB R1P 7.11611
61 3QPB URA 7.11611
62 1REQ DCA 7.49064
63 5TBS ADE 7.86517
64 5W75 SUC 7.86517
65 1G51 AMP 8.61423
66 1C3X 8IG 9.02256
67 3DJF BC3 9.3633
68 5IFK HPA 10.1124
69 1JV1 UD1 10.1124
70 3BJE URA 10.4869
71 3BJE R1P 10.4869
72 1PVN MZP 10.4869
73 2AOU CQA 10.4869
74 1A69 FMB 12.1849
75 1NW4 IMH 14.2322
76 3KVY URA 14.2322
77 3KVY R2B 14.2322
78 1Q8A HCS 15.3558
79 1G2O IMH 15.7303
80 4TXJ THM 16.8539
81 5YSI NCA 19.0789
82 6F4W FMC 26.6094
83 4I4S LAT 27.3973
84 1VHW ADN 28.0632
85 4QAR ADE 29.3532
86 4DA6 GA2 29.6443
87 1Z34 2FD 31.0638
88 3U40 ADN 31.8182
89 4WKC BIG 32.2449
90 2AC7 ADN 32.3404
91 4WKB TDI 33.1967
92 6AYR BIG 34.874
93 4BMX ADE 37.8486
94 4FFS BIG 43.0962
Pocket No.: 2; Query (leader) PDB : 3LGS; Ligand: ADE; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 3lgs.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5KJW 53C 1.1236
2 1CT9 AMP 1.87266
3 1RM0 D6P 2.62172
4 1GR0 NAD 2.62172
5 1NOW IFG 2.99625
6 3ESS 18N 3.04348
7 2R0H CTO 3.65854
8 3MBI HSX 3.74532
9 2XIQ MLC 3.74532
10 3HCH RSM 4.10959
11 4ISS TAR 4.11985
12 4UUG PXG 4.11985
13 1OSS BEN 4.4843
14 3WG3 A2G GAL NAG FUC 5.05618
15 5GLT BGC GAL NAG GAL 5.24345
16 3W68 PBU 6.01504
17 3NB0 G6P 6.36704
18 3R4S SIA 6.36704
19 5TEF GTG 7.86517
20 5Y4R C2E 8.96552
21 3EFV NAD 8.98876
22 5KZD RCJ 10.1124
23 5H9O GLC 10.2273
Pocket No.: 3; Query (leader) PDB : 3LGS; Ligand: SAH; Similar sites found with APoc: 94
This union binding pocket(no: 3) in the query (biounit: 3lgs.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6FMC DUE None
2 6ACS CIT 1.16279
3 3HNB 768 1.25786
4 5U3F 7TS 1.49813
5 1K27 MTM 1.87266
6 5ZA2 NXL 1.87266
7 1VKF CIT 2.12766
8 2A8Y MTA 2.24719
9 4YJK URA 2.38095
10 1ODJ GMP 2.55319
11 1RJW ETF 2.62172
12 4GLJ RHB 2.62172
13 4WCX MET 2.62172
14 3JQ8 DX3 2.62172
15 6BQC LOP 2.62172
16 3BMO AX4 2.62172
17 4LY9 1YY 2.62172
18 5F7J ADE 2.99625
19 1KGI T4A 3.14961
20 2RDE C2E 3.18725
21 4CE5 PDG 3.37079
22 3EGI ADP 3.39806
23 2P4S DIH 3.74532
24 4FXQ G9L 3.74532
25 5FUI APY 3.78788
26 1GZF NIR 3.79147
27 1JE1 GMP 3.81356
28 2A0W DIH 4.11985
29 5ETJ IM5 4.11985
30 5LY1 PPI 4.11985
31 4FK7 P34 4.36681
32 2PYY GLU 4.38596
33 2UYQ SAM 4.49438
34 2IV2 2MD 4.49438
35 6CI9 F3V 4.6332
36 2FKA BEF 4.65116
37 2QHV OC9 4.7619
38 1VMK GUN 4.86891
39 3BOF HCS 4.86891
40 5CLO NS8 5.08475
41 3KYF 5GP 5GP 5.19481
42 3EUF BAU 5.24345
43 3P0F BAU 5.24345
44 4K7O EKZ 5.35714
45 2OYS FMN 5.3719
46 5BYK A3P 5.40541
47 5BYK OAQ 5.40541
48 5DYO FLU 5.50459
49 3FIU AMP 5.62249
50 6C5F 7L9 5.98291
51 1GPM AMP 5.99251
52 1U1F 183 6.25
53 4RF7 ARG 6.36704
54 5JIB OIA 6.36704
55 5XNC MTA 6.36704
56 1GYY FHC 6.57895
57 1B8O IMH 6.74157
58 3DAA PDD 6.74157
59 1TZD ADP 7.11611
60 3QPB R1P 7.11611
61 3QPB URA 7.11611
62 1REQ DCA 7.49064
63 5TBS ADE 7.86517
64 5W75 SUC 7.86517
65 1G51 AMP 8.61423
66 1C3X 8IG 9.02256
67 3DJF BC3 9.3633
68 5IFK HPA 10.1124
69 1JV1 UD1 10.1124
70 3BJE URA 10.4869
71 3BJE R1P 10.4869
72 1PVN MZP 10.4869
73 2AOU CQA 10.4869
74 1A69 FMB 12.1849
75 1NW4 IMH 14.2322
76 3KVY URA 14.2322
77 3KVY R2B 14.2322
78 1Q8A HCS 15.3558
79 1G2O IMH 15.7303
80 4TXJ THM 16.8539
81 5YSI NCA 19.0789
82 6F4W FMC 26.6094
83 4I4S LAT 27.3973
84 1VHW ADN 28.0632
85 4QAR ADE 29.3532
86 4DA6 GA2 29.6443
87 1Z34 2FD 31.0638
88 3U40 ADN 31.8182
89 4WKC BIG 32.2449
90 2AC7 ADN 32.3404
91 4WKB TDI 33.1967
92 6AYR BIG 34.874
93 4BMX ADE 37.8486
94 4FFS BIG 43.0962
Pocket No.: 4; Query (leader) PDB : 3LGS; Ligand: SAH; Similar sites found with APoc: 23
This union binding pocket(no: 4) in the query (biounit: 3lgs.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5KJW 53C 1.1236
2 1CT9 AMP 1.87266
3 1RM0 D6P 2.62172
4 1GR0 NAD 2.62172
5 1NOW IFG 2.99625
6 3ESS 18N 3.04348
7 2R0H CTO 3.65854
8 3MBI HSX 3.74532
9 2XIQ MLC 3.74532
10 3HCH RSM 4.10959
11 4ISS TAR 4.11985
12 4UUG PXG 4.11985
13 1OSS BEN 4.4843
14 3WG3 A2G GAL NAG FUC 5.05618
15 5GLT BGC GAL NAG GAL 5.24345
16 3W68 PBU 6.01504
17 3NB0 G6P 6.36704
18 3R4S SIA 6.36704
19 5TEF GTG 7.86517
20 5Y4R C2E 8.96552
21 3EFV NAD 8.98876
22 5KZD RCJ 10.1124
23 5H9O GLC 10.2273
Pocket No.: 5; Query (leader) PDB : 3LGS; Ligand: SAH; Similar sites found with APoc: 53
This union binding pocket(no: 5) in the query (biounit: 3lgs.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2P3B 3TL None
2 6DWD HDV 2.24719
3 6BQ6 TER 2.24719
4 1RM0 NAI 2.62172
5 1R37 NAD 2.62172
6 2VTD LKM 2.62172
7 3WLE NAD 2.62172
8 1H2B NAJ 2.62172
9 1TE2 PGA 2.65487
10 1WDK NAD 3.37079
11 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 3.37079
12 4ZVV NAD 3.37079
13 4ZVV GN0 3.37079
14 1IYE PGU 3.37079
15 2XVF FAD 3.37079
16 3KYG 5GP 5GP 3.52423
17 2Q2V NAD 4.70588
18 2WBP ZZU 4.86891
19 2WBP SIN 4.86891
20 1JGT APC 4.86891
21 3BGD SAH 5
22 3BGD PM6 5
23 1Q19 APC 5.24345
24 1J3I NDP 5.24345
25 1J3I WRA 5.24345
26 4QAG F95 6.01504
27 5DLY 5D7 6.01504
28 5DLY SAH 6.01504
29 4PIO AVI 6.36704
30 1T90 NAD 6.36704
31 2C5S AMP 6.36704
32 2XXP DSL 6.53266
33 6MPT C30 6.74157
34 3KA2 2NC 6.89655
35 3FSM 2NC 6.89655
36 2P3C 3TL 7.07071
37 2BZG SAH 7.32759
38 4RSL FAD 7.49064
39 2HSA FMN 7.49064
40 1EU1 MGD 7.86517
41 4B6C B5U 8.16327
42 1VKO NAD 8.2397
43 4R3U 3KK 8.2397
44 4R3U 3HC 8.2397
45 5ECP MET 9.41704
46 5ECP JAA 9.41704
47 5ECP ATP 9.41704
48 6B2M COA 9.73783
49 5XLY C2E 9.77444
50 1IDA 0PO 10.101
51 5L13 6ZE 10.4869
52 1Q0S SAH 12.7413
53 2BJK NAD 16.8539
Pocket No.: 6; Query (leader) PDB : 3LGS; Ligand: ADE; Similar sites found with APoc: 149
This union binding pocket(no: 6) in the query (biounit: 3lgs.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1U1B PAX None
2 2CYE COA None
3 5M3E APR 1.21212
4 6CHP F0Y 1.86335
5 3CMC NAD 1.87266
6 2DTX BMA 1.89394
7 3WG6 NDP 2.24719
8 2WOX NDP 2.24719
9 3NEM AMO 2.24719
10 1O9J NAD 2.24719
11 2WME NAP 2.24719
12 3OQJ 3CX 2.33463
13 5FH7 5XL 2.41935
14 5EWK P34 2.5
15 2C78 PUL 2.62172
16 1ELI PYC 2.62172
17 1GAD NAD 2.62172
18 2ADA HPR 2.62172
19 3G6K FAD 2.62172
20 3G6K POP 2.62172
21 3UZO GLU 2.62172
22 3UZO PLP 2.62172
23 1KOJ PAN 2.62172
24 4GLL NAD 2.62172
25 4I9A NCN 2.99625
26 1O94 AMP 2.99625
27 3JZ4 NAP 2.99625
28 4S3R 7SA 2.99625
29 5ZJ5 NAI 3.08642
30 1WDK NAD 3.37079
31 4ZVV NAD 3.37079
32 4R84 CSF 3.37079
33 4ZVV GN0 3.37079
34 1IYE PGU 3.37079
35 3EYA FAD 3.37079
36 2IVD ACJ 3.37079
37 3RHJ NAP 3.37079
38 1ORR NAD 3.37079
39 3KJS NAP 3.37079
40 4PAB THG 3.37079
41 4Z9D NAD 3.42857
42 2TPI ILE VAL 3.49345
43 3KYG 5GP 5GP 3.52423
44 1OG1 TAD 3.53982
45 5EJL C2E 3.62903
46 5X8G S0N 3.74532
47 4R74 F6P 3.74532
48 3GFB NAD 3.74532
49 2ZYJ PGU 3.74532
50 4YC0 5OF 3.76569
51 1GZF ADP 3.79147
52 1GZF NAD 3.79147
53 1B1C FMN 3.8674
54 4X3R 686 4.11985
55 5W5R PYR 4.11985
56 5LHT TIH 4.11985
57 4GV4 MEJ 4.11985
58 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 4.11985
59 4EN4 ATP 4.11985
60 4EN4 GT1 4.11985
61 4EN4 GT0 4.11985
62 2Q4W FAD 4.11985
63 5NJI 8Z2 4.11985
64 4UCI SAM 4.11985
65 5K3W PLP 4.15335
66 1AOE NDP 4.16667
67 1AOE GW3 4.16667
68 2QHS OCA 4.21941
69 4H2D FMN 4.24242
70 3LF0 ATP 4.38596
71 2TPS TPS 4.40529
72 3NUG NAD 4.45344
73 1HDG NAD 4.49438
74 3VET TOY 4.49438
75 1DL5 SAH 4.49438
76 1F76 FMN 4.49438
77 2WSI FAD 4.49438
78 2WOE AR6 4.49438
79 6MJF SAH 4.49438
80 2A5F NAD 4.57143
81 1XK9 P34 4.65116
82 2WBP ZZU 4.86891
83 2WBP SIN 4.86891
84 1JGT APC 4.86891
85 1JGT CMA 4.86891
86 2VYN NAD 4.86891
87 5UAV NDP 4.86891
88 5UAV TFB 4.86891
89 4MSG 2C6 5.06912
90 1Q19 APC 5.24345
91 3T4L ZEA 5.24345
92 1CER NAD 5.43807
93 5AHW CMP 5.44218
94 3L4S NAD 5.61798
95 3L4S 3PG 5.61798
96 2CE7 ADP 5.61798
97 2C91 NAP 5.61798
98 5T79 NDP 5.61798
99 4R2M ANP 5.6962
100 1H0H 2MD 5.99251
101 4BUZ OCZ 6.09756
102 4BUZ OAD 6.09756
103 4BUZ NAD 6.09756
104 4RT1 C2E 6.25
105 1OVD ORO 6.36704
106 1OVD FMN 6.36704
107 2C5S AMP 6.36704
108 4XCZ T3Q 6.36704
109 4XCZ FON 6.36704
110 2XXP DSL 6.53266
111 2J9D AMP 6.72269
112 2J9D ADP 6.72269
113 2J9C ATP 6.72269
114 6MPT C30 6.74157
115 6AA8 NAD 6.74157
116 3B1J NAD 6.74157
117 3B20 NAD 6.74157
118 4K79 GAL A2G 6.81818
119 3TN7 NJP 7.00389
120 3NZK C90 7.11611
121 4R3U 3KK 8.2397
122 4R3U 3HC 8.2397
123 1VKO NAD 8.2397
124 3B82 NAD 8.2397
125 5I60 67W 8.61423
126 3DLG GWE 8.61423
127 4H03 NAD 8.98876
128 4E13 NAD 8.98876
129 3TKY SAH 9.3633
130 5W4W 9WG 9.73783
131 5XLY C2E 9.77444
132 4XSH NAI 10.0457
133 1KYZ FER 10.4869
134 5LD5 NAD 10.4869
135 1KYZ SAH 10.4869
136 5F7Y GLC GAL NAG GAL FUC A2G 10.8333
137 5F7N NAG GAL FUC FUC A2G 10.8333
138 3QV1 NAD 10.9756
139 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 11.1111
140 2PT9 2MH 11.985
141 3UWV 2PG 12.6437
142 5XDT MB3 12.987
143 2EQA AMP 13.1086
144 1EFY BZC 14.2322
145 2ZAT NAP 14.6154
146 1GQG DCD 17.1429
147 1Y8Q ATP 17.2285
148 2OJW ADP 18.3521
149 3HGM ATP 30.6122
Pocket No.: 7; Query (leader) PDB : 3LGS; Ligand: ADE; Similar sites found with APoc: 41
This union binding pocket(no: 7) in the query (biounit: 3lgs.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1N07 ADP 1.84049
2 1O97 AMP 1.87266
3 1O97 FAD 1.87266
4 4DQ2 BTX 1.87266
5 4RLQ 3SK 1.87266
6 5JGA 6KC 2.24719
7 1U2Z SAH 2.24719
8 3ZJ0 ACO 2.42718
9 2DFV NAD 2.62172
10 1TE2 PGA 2.65487
11 5WB6 9ZM 2.86885
12 1Q7B NAP 3.27869
13 1YB5 NAP 3.37079
14 5IFS ADP 3.37553
15 2A9K NAD 3.58744
16 1V25 ANP 3.74532
17 5UR0 NAD 3.74532
18 1T57 FMN 3.8835
19 3ITJ FAD 4.11985
20 3VZ3 SSN 4.11985
21 3VZ3 NAP 4.11985
22 3GRU AMP 4.49438
23 6G9I CXX 4.7619
24 2JAH NDP 4.86891
25 1J3I NDP 5.24345
26 1J3I WRA 5.24345
27 6CEP NAD 5.24345
28 3RG9 NDP 5.41667
29 3LU1 NAD 5.61798
30 3NCQ ATP 5.88235
31 4L2I NAD 5.99251
32 2Y88 2ER 6.55738
33 1EU1 MGD 7.86517
34 5C5H 4YB 8.98876
35 3OA2 NAD 9.73783
36 4USI ATP 9.74026
37 5N9X 8QN 10.1124
38 1VL8 NAP 10.1124
39 5L13 6ZE 10.4869
40 1OJZ NAD 10.8491
41 5ODQ 9SB 13.5714
Pocket No.: 8; Query (leader) PDB : 3LGS; Ligand: SAH; Similar sites found with APoc: 24
This union binding pocket(no: 8) in the query (biounit: 3lgs.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4MNS 2AX 1.88679
2 4K49 HFQ 2.20588
3 2WOX NDP 2.24719
4 1FK8 NAD 2.72374
5 3KJS NAP 3.37079
6 3RHJ NAP 3.37079
7 2TPI ILE VAL 3.49345
8 2XTS MTE 3.90244
9 5HSA FAS 4.11985
10 4PLT OXM 4.49438
11 4PLT NAI 4.49438
12 1QF5 RPL 4.86891
13 1QF5 GDP 4.86891
14 1XTP SAI 5.51181
15 1H0H 2MD 5.99251
16 4PIO SAH 6.36704
17 1VA6 P2S 6.74157
18 2J0B UDP 6.74157
19 4Q5M ROC 6.89655
20 6EMU SAM 7.11611
21 5IUW IAC 7.11611
22 4PZ2 NAD 10.4869
23 5B4T NAD 12.3077
24 5B4T 3HR 12.3077
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