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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 3 families. | |||||
1 | 2PTQ | - | FUM | C4 H4 O4 | C(=C/C(=O).... |
2 | 2PTR | - | 2SA | C14 H18 N5 O11 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2PTQ | - | FUM | C4 H4 O4 | C(=C/C(=O).... |
2 | 2PTR | - | 2SA | C14 H18 N5 O11 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2SA | 1 | 1 |
2 | 6MZ | 0.670732 | 0.893333 |
3 | 6IA | 0.622222 | 0.851852 |
4 | 6C6 | 0.611111 | 0.896104 |
5 | 6K6 | 0.56701 | 0.893333 |
6 | AMP | 0.564706 | 0.905405 |
7 | A | 0.564706 | 0.905405 |
8 | NO7 | 0.546392 | 0.896104 |
9 | IMO | 0.545455 | 0.891892 |
10 | OK8 | 0.525773 | 0.92 |
11 | K2R | 0.509615 | 0.92 |
12 | V2G | 0.5 | 0.910256 |
13 | PGS | 0.5 | 0.85 |
14 | AMO | 0.5 | 0.972973 |
15 | KG4 | 0.494737 | 0.933333 |
16 | ADP | 0.494624 | 0.932432 |
17 | 7MC | 0.491228 | 0.878049 |
18 | CA0 | 0.484211 | 0.933333 |
19 | ITT | 0.484211 | 0.905405 |
20 | 71V | 0.483871 | 0.85 |
21 | QA7 | 0.480392 | 0.884615 |
22 | ATP | 0.479167 | 0.932432 |
23 | HEJ | 0.479167 | 0.932432 |
24 | ABM | 0.478261 | 0.857143 |
25 | A2D | 0.478261 | 0.906667 |
26 | 45A | 0.478261 | 0.857143 |
27 | 7MD | 0.477477 | 0.9 |
28 | C2R | 0.477273 | 0.893333 |
29 | 25A | 0.475728 | 0.906667 |
30 | 5FA | 0.474227 | 0.932432 |
31 | AQP | 0.474227 | 0.932432 |
32 | AMP MG | 0.472527 | 0.866667 |
33 | 4AD | 0.471154 | 0.96 |
34 | 6MD | 0.470588 | 0.776316 |
35 | 5AL | 0.47 | 0.92 |
36 | AU1 | 0.46875 | 0.907895 |
37 | AP2 | 0.468085 | 0.921053 |
38 | A12 | 0.468085 | 0.921053 |
39 | BA3 | 0.468085 | 0.906667 |
40 | TXA | 0.46729 | 0.921053 |
41 | PTJ | 0.46729 | 0.886076 |
42 | AHX | 0.466667 | 0.910256 |
43 | N6P | 0.466667 | 0.878378 |
44 | 8LQ | 0.466019 | 0.921053 |
45 | AP5 | 0.463158 | 0.906667 |
46 | B4P | 0.463158 | 0.906667 |
47 | JLN | 0.462366 | 0.905405 |
48 | 9ZD | 0.461538 | 0.897436 |
49 | 9ZA | 0.461538 | 0.897436 |
50 | SRP | 0.460784 | 0.946667 |
51 | 8LH | 0.460784 | 0.896104 |
52 | AMZ | 0.460674 | 0.88 |
53 | T99 | 0.46 | 0.896104 |
54 | TAT | 0.46 | 0.896104 |
55 | APC | 0.459184 | 0.921053 |
56 | AN2 | 0.458333 | 0.92 |
57 | AT4 | 0.458333 | 0.896104 |
58 | SRA | 0.456522 | 0.858974 |
59 | TT8 | 0.456311 | 0.7625 |
60 | 8LE | 0.455446 | 0.884615 |
61 | NB8 | 0.453704 | 0.935065 |
62 | ADX | 0.453608 | 0.819277 |
63 | M33 | 0.453608 | 0.894737 |
64 | XAH | 0.45045 | 0.853659 |
65 | ACP | 0.44898 | 0.933333 |
66 | 50T | 0.44898 | 0.894737 |
67 | 8QN | 0.447619 | 0.92 |
68 | FAI | 0.446809 | 0.88 |
69 | 6YZ | 0.446602 | 0.933333 |
70 | ANP | 0.445545 | 0.907895 |
71 | GAP | 0.445545 | 0.883117 |
72 | ACQ | 0.445545 | 0.933333 |
73 | APR | 0.444444 | 0.932432 |
74 | AR6 | 0.444444 | 0.932432 |
75 | WAQ | 0.444444 | 0.897436 |
76 | PRX | 0.444444 | 0.835443 |
77 | PAJ | 0.443396 | 0.875 |
78 | DSZ | 0.443396 | 0.835294 |
79 | ADP MG | 0.443299 | 0.88 |
80 | SON | 0.443299 | 0.946667 |
81 | ADP BEF | 0.443299 | 0.88 |
82 | ADV | 0.44 | 0.921053 |
83 | AD9 | 0.44 | 0.907895 |
84 | RBY | 0.44 | 0.921053 |
85 | AGS | 0.44 | 0.884615 |
86 | JNT | 0.439252 | 0.907895 |
87 | DLL | 0.439252 | 0.92 |
88 | A22 | 0.438095 | 0.92 |
89 | DAL AMP | 0.438095 | 0.894737 |
90 | AIR | 0.436782 | 0.84 |
91 | 7RP | 0.43617 | 0.890411 |
92 | NIA | 0.434783 | 0.771084 |
93 | OOB | 0.433962 | 0.92 |
94 | IOT | 0.433333 | 0.86747 |
95 | LAD | 0.431193 | 0.898734 |
96 | PR8 | 0.431193 | 0.8875 |
97 | B5V | 0.431193 | 0.896104 |
98 | 1RB | 0.430108 | 0.849315 |
99 | G 6MZ C | 0.43 | 0.842105 |
100 | HQG | 0.428571 | 0.945946 |
101 | ME8 | 0.427273 | 0.876543 |
102 | FYA | 0.427273 | 0.894737 |
103 | ARU | 0.425926 | 0.829268 |
104 | 00A | 0.425926 | 0.873418 |
105 | ATP MG | 0.425743 | 0.88 |
106 | APC MG | 0.425743 | 0.857143 |
107 | ADP PO3 | 0.425743 | 0.88 |
108 | MAP | 0.424528 | 0.884615 |
109 | 25L | 0.423423 | 0.92 |
110 | ATF | 0.423077 | 0.896104 |
111 | ANP MG | 0.423077 | 0.87013 |
112 | 3UK | 0.422018 | 0.907895 |
113 | OAD | 0.422018 | 0.933333 |
114 | BEF ADP | 0.421569 | 0.857143 |
115 | OZV | 0.420561 | 0.906667 |
116 | J4G | 0.418182 | 0.96 |
117 | 7RA | 0.416667 | 0.893333 |
118 | RMB | 0.416667 | 0.837838 |
119 | ADQ | 0.416667 | 0.907895 |
120 | P2P | 0.416667 | 0.866667 |
121 | AAM | 0.416667 | 0.905405 |
122 | FA5 | 0.415929 | 0.946667 |
123 | 48N | 0.415254 | 0.910256 |
124 | 1ZZ | 0.414414 | 0.831325 |
125 | 3OD | 0.414414 | 0.933333 |
126 | JB6 | 0.414414 | 0.85 |
127 | ARG AMP | 0.413793 | 0.865854 |
128 | TSB | 0.411215 | 0.790698 |
129 | RBZ | 0.410526 | 0.815789 |
130 | 5GP | 0.41 | 0.871795 |
131 | G | 0.41 | 0.871795 |
132 | A5A | 0.409524 | 0.77907 |
133 | ALF ADP | 0.409524 | 0.814815 |
134 | VO4 ADP | 0.409524 | 0.883117 |
135 | 9X8 | 0.409091 | 0.884615 |
136 | A2P | 0.408163 | 0.891892 |
137 | 5SV | 0.407407 | 0.795181 |
138 | 9SN | 0.40708 | 0.8625 |
139 | RVP | 0.406593 | 0.815789 |
140 | 5X8 | 0.405941 | 0.802632 |
141 | SSA | 0.40566 | 0.813953 |
142 | GSU | 0.405405 | 0.813953 |
143 | IMP | 0.40404 | 0.894737 |
144 | A3R | 0.40367 | 0.897436 |
145 | A1R | 0.40367 | 0.897436 |
146 | NSS | 0.40367 | 0.813953 |
147 | B5Y | 0.403509 | 0.884615 |
148 | B5M | 0.403509 | 0.884615 |
149 | YLP | 0.403361 | 0.855422 |
150 | VMS | 0.401869 | 0.761364 |
151 | 52H | 0.401869 | 0.752809 |
152 | GUO | 0.401869 | 0.857143 |
153 | 54H | 0.401869 | 0.761364 |
154 | BIS | 0.401786 | 0.873418 |
155 | 1PR | 0.401786 | 0.8375 |
156 | F2R | 0.4 | 0.901235 |
157 | 36A | 0.4 | 0.717647 |
158 | 6AD | 0.4 | 0.851852 |
159 | 93A | 0.4 | 0.821429 |
160 | LMS | 0.4 | 0.776471 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RPL | 0.8653 |
This union binding pocket(no: 1) in the query (biounit: 2ptr.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2ptr.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2ptr.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2ptr.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |