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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 28 families. | |||||
1 | 1MT6 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
2 | 1N6C | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 3VUZ | - | K15 | C20 H33 N7 O5 | CCCCCCN(CC.... |
4 | 3VV0 | - | KH3 | C22 H38 N8 O5 | CCCCCCNCCN.... |
5 | 3CBO | - | ILE LYS ARG SER MLZ LYS ASN SER LEU ALA | n/a | n/a |
6 | 3CBP | - | ILE LYS ARG SER LYS LYS ASN SER LEU ALA | n/a | n/a |
7 | 5EG2 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
8 | 3OS5 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
9 | 1XQH | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
10 | 1N6A | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
11 | 1O9S | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
12 | 5YLT | Kd = 0.41 uM | C7N | C21 H21 N O | CN1CCC(=C2.... |
13 | 5AYF | ic50 = 1 uM | C7H | C21 H21 N | CN1CCC(=C2.... |
14 | 3CBM | - | ILE LYS ARG SER MLZ LYS ASN SER LEU ALA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 22 families. | |||||
1 | 1MT6 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
2 | 1N6C | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 3VUZ | - | K15 | C20 H33 N7 O5 | CCCCCCN(CC.... |
4 | 3VV0 | - | KH3 | C22 H38 N8 O5 | CCCCCCNCCN.... |
5 | 3CBO | - | ILE LYS ARG SER MLZ LYS ASN SER LEU ALA | n/a | n/a |
6 | 3CBP | - | ILE LYS ARG SER LYS LYS ASN SER LEU ALA | n/a | n/a |
7 | 5EG2 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
8 | 3OS5 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
9 | 1XQH | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
10 | 1N6A | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
11 | 1O9S | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
12 | 5YLT | Kd = 0.41 uM | C7N | C21 H21 N O | CN1CCC(=C2.... |
13 | 5AYF | ic50 = 1 uM | C7H | C21 H21 N | CN1CCC(=C2.... |
14 | 3CBM | - | ILE LYS ARG SER MLZ LYS ASN SER LEU ALA | n/a | n/a |
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 |
This union binding pocket(no: 1) in the query (biounit: 1mt6.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4CFT | H4B | 2.14286 |
2 | 4CU1 | H4B | 2.14286 |
3 | 5N6N | SUC | 2.14286 |
4 | 4NOS | H4B | 2.14286 |
5 | 4NOS | H2B | 2.14286 |
6 | 4FN4 | NAD | 2.3622 |
7 | 3ZOK | GLY | 2.5 |
8 | 3BIB | PSF | 2.58621 |
9 | 4EAY | CS2 | 2.85714 |
10 | 5GZ9 | MAN | 3.21429 |
11 | 2H21 | SAM | 3.57143 |
12 | 3QXY | SAM | 3.57143 |
13 | 3AB1 | FAD | 3.92857 |
14 | 1COY | FAD | 4.28571 |
15 | 6GAS | FAD | 5 |
16 | 1D8C | SOR | 5 |
17 | 3KIF | GDL | 5.66038 |
18 | 4D8N | 0HM | 5.8296 |
19 | 3N71 | SFG | 7.5 |
20 | 1GWN | GTP | 7.80488 |
21 | 5GQX | GLC GLC GLC GLC | 8.57143 |
22 | 4MDB | RLT | 9.77778 |
23 | 5CZY | SAM | 10 |
24 | 3KIH | GDL | 10.3093 |
25 | 1TL2 | NDG | 10.5932 |
26 | 2YVJ | NAI | 11.0092 |
27 | 2ZQO | NGA | 11.5385 |
28 | 3QF7 | ANP | 14 |
29 | 5T0K | SAM | 16.4286 |
30 | 5JIY | SAM | 16.7883 |
31 | 5WFC | A97 | 20.3571 |
32 | 5C2N | NAG | 20.8333 |
33 | 3KMT | SAH | 23.5294 |