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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 1205 families. | |||||
1 | 2NV4 | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1039 families. | |||||
1 | 2NV4 | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SAM | 1 | 1 |
2 | SMM | 0.792683 | 0.96 |
3 | S4M | 0.6875 | 0.909091 |
4 | S7M | 0.670455 | 0.945946 |
5 | M2T | 0.636364 | 0.878378 |
6 | GEK | 0.612903 | 0.931507 |
7 | SAI | 0.571429 | 0.878378 |
8 | ADN | 0.565789 | 0.773333 |
9 | RAB | 0.565789 | 0.773333 |
10 | XYA | 0.565789 | 0.773333 |
11 | 5CD | 0.564103 | 0.783784 |
12 | EP4 | 0.5625 | 0.826667 |
13 | SA8 | 0.56044 | 0.945205 |
14 | SFG | 0.555556 | 0.875 |
15 | 5X8 | 0.555556 | 0.888889 |
16 | 5N5 | 0.551282 | 0.773333 |
17 | A4D | 0.544304 | 0.797297 |
18 | EEM | 0.542553 | 0.945946 |
19 | SAH | 0.537634 | 0.916667 |
20 | DTA | 0.536585 | 0.789474 |
21 | 62X | 0.535354 | 0.884615 |
22 | MTA | 0.53012 | 0.875 |
23 | 3DH | 0.517647 | 0.849315 |
24 | 5AL | 0.510417 | 0.743902 |
25 | 54H | 0.510204 | 0.673913 |
26 | VMS | 0.510204 | 0.673913 |
27 | 0UM | 0.51 | 0.857143 |
28 | AMP | 0.505747 | 0.707317 |
29 | LMS | 0.505747 | 0.666667 |
30 | A | 0.505747 | 0.707317 |
31 | ABM | 0.505618 | 0.753086 |
32 | A5A | 0.505155 | 0.688889 |
33 | SON | 0.5 | 0.746988 |
34 | SSA | 0.5 | 0.684783 |
35 | 6RE | 0.5 | 0.78481 |
36 | K15 | 0.5 | 0.883117 |
37 | 5AD | 0.5 | 0.75 |
38 | SRP | 0.5 | 0.746988 |
39 | LSS | 0.49505 | 0.706522 |
40 | CA0 | 0.494624 | 0.714286 |
41 | A12 | 0.494505 | 0.705882 |
42 | AP2 | 0.494505 | 0.705882 |
43 | ME8 | 0.490385 | 0.841463 |
44 | TSB | 0.49 | 0.681319 |
45 | 53H | 0.49 | 0.666667 |
46 | DAL AMP | 0.49 | 0.765432 |
47 | 5CA | 0.49 | 0.684783 |
48 | ACP | 0.489362 | 0.694118 |
49 | ADP | 0.48913 | 0.690476 |
50 | 5AS | 0.48913 | 0.648936 |
51 | J7C | 0.488889 | 0.772152 |
52 | A2D | 0.488889 | 0.690476 |
53 | ZAS | 0.488636 | 0.769231 |
54 | 9ZD | 0.485149 | 0.729412 |
55 | 9ZA | 0.485149 | 0.729412 |
56 | 8QN | 0.485149 | 0.743902 |
57 | GAP | 0.484536 | 0.73494 |
58 | AN2 | 0.483871 | 0.682353 |
59 | A3S | 0.483871 | 0.813333 |
60 | A7D | 0.483871 | 0.851351 |
61 | GJV | 0.483516 | 0.775 |
62 | SRA | 0.483146 | 0.694118 |
63 | LAD | 0.480769 | 0.752941 |
64 | KAA | 0.480769 | 0.698925 |
65 | GSU | 0.480769 | 0.722222 |
66 | AMO | 0.480392 | 0.746988 |
67 | DSZ | 0.480392 | 0.703297 |
68 | 52H | 0.48 | 0.666667 |
69 | M33 | 0.478723 | 0.722892 |
70 | BA3 | 0.478261 | 0.690476 |
71 | MAO | 0.478261 | 0.82716 |
72 | NEC | 0.477778 | 0.75 |
73 | AOC | 0.477778 | 0.776316 |
74 | DSH | 0.477778 | 0.842105 |
75 | SXZ | 0.47619 | 0.894737 |
76 | AHX | 0.475728 | 0.701149 |
77 | NVA LMS | 0.475728 | 0.736264 |
78 | Y3J | 0.47561 | 0.706667 |
79 | G5A | 0.474227 | 0.684783 |
80 | A3T | 0.473684 | 0.8 |
81 | B4P | 0.473118 | 0.690476 |
82 | AP5 | 0.473118 | 0.690476 |
83 | A3N | 0.472527 | 0.766234 |
84 | KB1 | 0.471698 | 0.833333 |
85 | PRX | 0.46875 | 0.73494 |
86 | APC | 0.46875 | 0.705882 |
87 | AT4 | 0.468085 | 0.686047 |
88 | PAJ | 0.466019 | 0.712644 |
89 | 4AD | 0.466019 | 0.759036 |
90 | RBY | 0.463918 | 0.72619 |
91 | ADP PO3 | 0.463918 | 0.728395 |
92 | ADV | 0.463918 | 0.72619 |
93 | ADX | 0.463158 | 0.666667 |
94 | MHZ | 0.463158 | 0.82716 |
95 | AU1 | 0.463158 | 0.674419 |
96 | YAP | 0.462963 | 0.738095 |
97 | TXA | 0.462264 | 0.72619 |
98 | NB8 | 0.462264 | 0.72093 |
99 | A3G | 0.461538 | 0.802632 |
100 | VRT | 0.459184 | 0.842105 |
101 | XAH | 0.458716 | 0.715909 |
102 | YSA | 0.458716 | 0.684783 |
103 | HEJ | 0.458333 | 0.690476 |
104 | 50T | 0.458333 | 0.682353 |
105 | ATP | 0.458333 | 0.690476 |
106 | LEU LMS | 0.457143 | 0.717391 |
107 | 7D7 | 0.45679 | 0.723684 |
108 | KH3 | 0.455357 | 0.871795 |
109 | ACQ | 0.454545 | 0.694118 |
110 | AR6 | 0.453608 | 0.710843 |
111 | APR | 0.453608 | 0.710843 |
112 | AQP | 0.453608 | 0.690476 |
113 | 5FA | 0.453608 | 0.690476 |
114 | NSS | 0.451923 | 0.703297 |
115 | FA5 | 0.449541 | 0.746988 |
116 | A5D | 0.44898 | 0.789474 |
117 | AD9 | 0.44898 | 0.674419 |
118 | AGS | 0.44898 | 0.678161 |
119 | SAP | 0.44898 | 0.678161 |
120 | PTJ | 0.448598 | 0.72093 |
121 | YLB | 0.448276 | 0.758621 |
122 | YLP | 0.447368 | 0.738636 |
123 | 8X1 | 0.446602 | 0.680851 |
124 | D3Y | 0.446602 | 0.792208 |
125 | ADP ALF | 0.445545 | 0.678161 |
126 | ALF ADP | 0.445545 | 0.678161 |
127 | 3AM | 0.444444 | 0.674699 |
128 | MYR AMP | 0.444444 | 0.776471 |
129 | OAD | 0.443396 | 0.73494 |
130 | 2VA | 0.443299 | 0.779221 |
131 | S8M | 0.442308 | 0.831169 |
132 | OOB | 0.442308 | 0.722892 |
133 | TYR AMP | 0.441441 | 0.759036 |
134 | 6YZ | 0.441176 | 0.694118 |
135 | ADP VO4 | 0.441176 | 0.702381 |
136 | VO4 ADP | 0.441176 | 0.702381 |
137 | T99 | 0.44 | 0.686047 |
138 | TAT | 0.44 | 0.686047 |
139 | ANP | 0.44 | 0.674419 |
140 | WAQ | 0.439252 | 0.75 |
141 | B5Y | 0.436364 | 0.717647 |
142 | 8PZ | 0.436364 | 0.684783 |
143 | F0P | 0.435897 | 0.844156 |
144 | YLC | 0.435897 | 0.755814 |
145 | AAT | 0.435644 | 0.797468 |
146 | 1ZZ | 0.435185 | 0.755814 |
147 | 9K8 | 0.435185 | 0.663158 |
148 | 3OD | 0.435185 | 0.73494 |
149 | NVA 2AD | 0.434343 | 0.855263 |
150 | 00A | 0.433962 | 0.689655 |
151 | DLL | 0.433962 | 0.722892 |
152 | ARG AMP | 0.433628 | 0.727273 |
153 | 7MD | 0.433628 | 0.715909 |
154 | ATF | 0.431373 | 0.666667 |
155 | SO8 | 0.43 | 0.792208 |
156 | 3UK | 0.429907 | 0.714286 |
157 | A6D | 0.429907 | 0.72619 |
158 | 9X8 | 0.429907 | 0.717647 |
159 | F2R | 0.429752 | 0.7 |
160 | 5SV | 0.428571 | 0.741176 |
161 | AMP DBH | 0.428571 | 0.714286 |
162 | TYM | 0.42735 | 0.746988 |
163 | WSA | 0.42735 | 0.692308 |
164 | 9SN | 0.427273 | 0.681818 |
165 | AHZ | 0.426087 | 0.755814 |
166 | P5A | 0.425926 | 0.691489 |
167 | B5V | 0.425926 | 0.705882 |
168 | PR8 | 0.425926 | 0.744186 |
169 | A A | 0.425926 | 0.710843 |
170 | 3NZ | 0.425926 | 0.807692 |
171 | A1R | 0.424528 | 0.709302 |
172 | 2A5 | 0.424242 | 0.674419 |
173 | 7MC | 0.423729 | 0.719101 |
174 | B5M | 0.423423 | 0.717647 |
175 | 7D5 | 0.422222 | 0.658824 |
176 | JB6 | 0.422018 | 0.709302 |
177 | FYA | 0.422018 | 0.722892 |
178 | AYB | 0.421488 | 0.75 |
179 | A22 | 0.419048 | 0.682353 |
180 | MAP | 0.419048 | 0.659091 |
181 | 2AM | 0.417582 | 0.666667 |
182 | TAD | 0.417391 | 0.712644 |
183 | A3P | 0.416667 | 0.686747 |
184 | ADP BMA | 0.416667 | 0.714286 |
185 | 25A | 0.415094 | 0.690476 |
186 | YLA | 0.413223 | 0.719101 |
187 | 8Q2 | 0.411765 | 0.663158 |
188 | A3R | 0.411215 | 0.709302 |
189 | ADQ | 0.411215 | 0.694118 |
190 | 48N | 0.410256 | 0.72093 |
191 | 0XU | 0.41 | 0.824324 |
192 | GA7 | 0.408696 | 0.72619 |
193 | 7D3 | 0.40625 | 0.643678 |
194 | PAP | 0.405941 | 0.678571 |
195 | DQV | 0.405172 | 0.702381 |
196 | OVE | 0.404255 | 0.662791 |
197 | 4UV | 0.403509 | 0.697674 |
198 | AF3 ADP 3PG | 0.403361 | 0.712644 |
199 | 3AD | 0.402299 | 0.783784 |
200 | CMP | 0.402062 | 0.691358 |
201 | 2BA | 0.402062 | 0.682927 |
202 | 7C5 | 0.4 | 0.731707 |
This union binding pocket(no: 1) in the query (biounit: 2nv4.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4C5N | ACP | 2.72109 |
2 | 1XXR | MAN | 3.40136 |
3 | 2VWT | PYR | 4.08163 |
4 | 5AO7 | NAG | 4.7619 |
5 | 2V5K | OXM | 4.7619 |
6 | 2GPT | SKM | 4.7619 |
7 | 6F5W | KG1 | 5.44218 |
8 | 3QPB | URA | 6.12245 |
9 | 3QPB | R1P | 6.12245 |
10 | 3MYZ | TFX | 7 |
11 | 2ZXI | FAD | 7.48299 |
12 | 4B5W | PYR | 9.52381 |
13 | 1GPM | AMP | 11.5646 |
14 | 1JQY | A32 | 16.5049 |
This union binding pocket(no: 2) in the query (biounit: 2nv4.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WG0 | CHD | None |
2 | 3C88 | ARG ARG GLY CYS NH2 | 2.04082 |
3 | 1HFU | NAG NDG | 2.72109 |
4 | 2G36 | TRP | 2.72109 |
5 | 5WXU | IAC | 4.08163 |
6 | 3DUV | KDO | 4.7619 |
7 | 4NOS | H4B | 5.44218 |
8 | 5TVA | AMP | 5.44218 |
9 | 5FYR | INS | 5.44218 |
10 | 6FHO | FAD | 8.84354 |
11 | 3UKR | CKH | 8.84354 |
12 | 5GWT | NAD | 8.84354 |
13 | 4F8L | AES | 8.96552 |
14 | 5OCA | 9QZ | 10.2041 |
15 | 3H0L | ADP | 13.6054 |
16 | 3RS8 | ALA TRP LEU PHE GLU ALA | 14.2857 |
17 | 3K0T | BGC | 14.6853 |