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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 237 families. | |||||
1 | 4RIH | - | 3R2 | C17 H28 N2 O13 P2 | C[C@H]1C[C.... |
2 | 4RII | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
3 | 4RIF | - | 3R2 | C17 H28 N2 O13 P2 | C[C@H]1C[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 187 families. | |||||
1 | 4RIH | - | 3R2 | C17 H28 N2 O13 P2 | C[C@H]1C[C.... |
2 | 4RII | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
3 | 4RIF | - | 3R2 | C17 H28 N2 O13 P2 | C[C@H]1C[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3R2 | 1 | 1 |
2 | TTP | 0.689655 | 0.92 |
3 | T3Q | 0.6875 | 0.935065 |
4 | T3F | 0.6875 | 0.935065 |
5 | 1JB | 0.684211 | 0.96 |
6 | TRH | 0.684211 | 0.96 |
7 | 18T | 0.684211 | 0.96 |
8 | TYD | 0.682353 | 0.92 |
9 | MMF | 0.673469 | 0.935065 |
10 | TDX | 0.666667 | 0.946667 |
11 | 0N2 | 0.663265 | 0.948052 |
12 | T46 | 0.663265 | 0.96 |
13 | DAU | 0.659794 | 0.934211 |
14 | 0FX | 0.656566 | 0.935065 |
15 | FNF | 0.653465 | 0.947368 |
16 | 1YF | 0.653465 | 0.947368 |
17 | DWN | 0.653061 | 0.935065 |
18 | 3YN | 0.653061 | 0.96 |
19 | QDM | 0.643564 | 0.898734 |
20 | JHZ | 0.637255 | 0.935897 |
21 | 4TG | 0.631068 | 0.947368 |
22 | TLO | 0.625 | 0.921053 |
23 | TMP | 0.623529 | 0.906667 |
24 | AKM | 0.621359 | 0.936709 |
25 | QUH | 0.62037 | 0.960526 |
26 | FUH | 0.62037 | 0.960526 |
27 | T5A | 0.529915 | 0.845238 |
28 | TBD | 0.526316 | 0.884615 |
29 | 7SG | 0.519685 | 0.845238 |
30 | TQP | 0.519685 | 0.845238 |
31 | T4K | 0.515625 | 0.857143 |
32 | T5K | 0.515625 | 0.857143 |
33 | DT DT DT | 0.514563 | 0.92 |
34 | 0DN | 0.5 | 0.789474 |
35 | DT DT PST | 0.495413 | 0.873418 |
36 | THM | 0.494118 | 0.826667 |
37 | LLT | 0.494118 | 0.826667 |
38 | DT DT DT DT DT | 0.490741 | 0.921053 |
39 | ATY | 0.475248 | 0.921053 |
40 | UFP | 0.473118 | 0.835443 |
41 | AZD | 0.466019 | 0.839506 |
42 | THP | 0.458333 | 0.893333 |
43 | T3P | 0.456522 | 0.868421 |
44 | DT ME6 DT | 0.454545 | 0.873418 |
45 | 5HU | 0.452632 | 0.894737 |
46 | BRU | 0.452632 | 0.835443 |
47 | TPE | 0.45045 | 0.922078 |
48 | 5IU | 0.447917 | 0.835443 |
49 | FDM | 0.447917 | 0.848101 |
50 | NYM | 0.447917 | 0.883117 |
51 | 4TA | 0.444444 | 0.811765 |
52 | TXS | 0.442105 | 0.75 |
53 | D3T | 0.435644 | 0.894737 |
54 | ATM | 0.435644 | 0.82716 |
55 | BVP | 0.435644 | 0.87013 |
56 | DUT | 0.435644 | 0.88 |
57 | T3S | 0.43299 | 0.772152 |
58 | DUD | 0.424242 | 0.88 |
59 | ABT | 0.401786 | 0.819277 |
This union binding pocket(no: 1) in the query (biounit: 4rif.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6BT4 | KPM | None |
2 | 1U4L | H1S | None |
3 | 4X7R | UDP | 1.31926 |
4 | 4X7R | 3YW | 1.31926 |
5 | 4X7R | NTO | 1.31926 |
6 | 2VT3 | ATP | 1.39535 |
7 | 2QK4 | ATP | 1.58311 |
8 | 4D52 | GIV | 1.5873 |
9 | 4D52 | GXL | 1.5873 |
10 | 3UB7 | ACM | 1.65746 |
11 | 4O48 | ASP | 1.80723 |
12 | 1TZD | ADP | 1.81818 |
13 | 5OLK | DTP | 1.86047 |
14 | 5H2U | 1N1 | 1.87266 |
15 | 1KYZ | SAH | 1.91781 |
16 | 5ZCT | ANP | 1.96078 |
17 | 4HE2 | AMP | 2.07101 |
18 | 3NOJ | PYR | 2.10084 |
19 | 3THR | C2F | 2.11082 |
20 | 3SIX | GDP | 2.12121 |
21 | 4GN8 | ASO | 2.34114 |
22 | 5LPB | ADP | 2.36486 |
23 | 6F3G | CJN | 2.37288 |
24 | 2Z48 | A2G | 2.37467 |
25 | 2Z49 | AMG | 2.37467 |
26 | 3CV2 | OXL | 2.37467 |
27 | 3BER | AMP | 2.40964 |
28 | 3COB | ADP | 2.43902 |
29 | 4YG6 | GAL NAG | 2.45399 |
30 | 3UN3 | G16 | 2.50627 |
31 | 5NM7 | GLY | 2.63158 |
32 | 3CV3 | UDP | 2.63852 |
33 | 5ZI9 | FLC | 2.69231 |
34 | 2Y7P | SAL | 2.75229 |
35 | 3NB0 | G6P | 2.90237 |
36 | 1D4D | SIN | 2.90237 |
37 | 6CUZ | FEV | 2.90237 |
38 | 1GOJ | ADP | 3.09859 |
39 | 2WME | NAP | 3.16623 |
40 | 3BEO | UDP | 3.2 |
41 | 1SQL | GUN | 3.42466 |
42 | 5V2J | UDP | 3.43008 |
43 | 5V2J | 7WV | 3.43008 |
44 | 2R68 | SUP | 3.43008 |
45 | 3U7Q | HCA | 3.43008 |
46 | 4ZLA | BES | 3.43008 |
47 | 3OKP | GDD | 3.43008 |
48 | 1XVB | BHL | 3.52941 |
49 | 4U00 | ADP | 3.68852 |
50 | 4CQM | NAP | 3.68852 |
51 | 4C2G | ALA ALA ALA ALA | 3.69393 |
52 | 5WBF | LAC | 3.7037 |
53 | 4CS9 | AMP | 3.7037 |
54 | 6G33 | 5ID | 3.83481 |
55 | 6H45 | QEI | 3.95778 |
56 | 1T9D | PYD | 3.95778 |
57 | 5N53 | 8NB | 4.10256 |
58 | 2F7A | BEZ | 4.31034 |
59 | 6HKE | LMR | 4.40252 |
60 | 6HKE | MLT | 4.40252 |
61 | 1P7T | PYR | 4.48549 |
62 | 2DTJ | THR | 4.49438 |
63 | 1DMH | MCT | 4.50161 |
64 | 6EJI | UD2 | 4.55764 |
65 | 3HBN | UDP | 4.60993 |
66 | 2J5V | PCA | 4.63215 |
67 | 3FSY | SCA | 4.81928 |
68 | 3FCI | 3FI | 4.93274 |
69 | 2VCH | UDP | 5.01319 |
70 | 4PQG | UDP | 5.01319 |
71 | 4A59 | AMP | 5.01319 |
72 | 4LEB | THR THR THR THR THR THR THR | 5.01319 |
73 | 1U1I | NAD | 5.01319 |
74 | 1XMY | ROL | 5.01319 |
75 | 5M45 | AMP | 5.01319 |
76 | 1FWV | SGA MAG FUC | 5.22388 |
77 | 5MUL | BDP | 5.27704 |
78 | 6D28 | NEC | 5.49451 |
79 | 6BK3 | UDP | 5.5409 |
80 | 5Z21 | OXM | 5.5409 |
81 | 2YRX | AMP | 5.5409 |
82 | 5ZXD | ATP | 5.5409 |
83 | 1TD2 | PXL | 5.57491 |
84 | 4BIX | ADP | 5.7047 |
85 | 5WXK | TYD | 5.71429 |
86 | 1TZJ | A3B | 5.91716 |
87 | 1SBR | VIB | 6 |
88 | 2ACV | UDP | 6.0686 |
89 | 5Z20 | OXM | 6.08696 |
90 | 5LY1 | PPI | 6.33245 |
91 | 5NTD | BES | 6.33245 |
92 | 1RM0 | D6P | 6.33245 |
93 | 5EFQ | ADP | 6.34328 |
94 | 4NZ6 | DGL | 6.38978 |
95 | 3LTW | HLZ | 6.42857 |
96 | 1VM6 | NAD | 6.57895 |
97 | 4REL | KMP | 6.59631 |
98 | 2P3V | SRT | 6.64062 |
99 | 3EPO | MP5 | 6.86275 |
100 | 4XSU | UDP | 7.12401 |
101 | 4XSU | GLC | 7.12401 |
102 | 1RZU | ADP | 7.12401 |
103 | 4X1T | UDP | 7.38786 |
104 | 4L9Z | OXL | 7.38786 |
105 | 1M7G | AV2 | 8.05687 |
106 | 1NX0 | ALA LYS ALA ILE ALA | 8.09249 |
107 | 4XFR | CIT | 8.43091 |
108 | 2OWZ | CIT | 8.43373 |
109 | 2QZS | 250 | 8.44327 |
110 | 2QZS | GLC | 8.44327 |
111 | 2QZS | ADP | 8.44327 |
112 | 3VPD | ANP | 8.54093 |
113 | 1XDS | SAM | 9.09091 |
114 | 3DLS | ADP | 9.23483 |
115 | 2J1E | NDG GAL | 9.33333 |
116 | 1PBK | RAP | 9.48276 |
117 | 5W8X | UDP | 9.68586 |
118 | 5BQ5 | ADP BEF | 10.0529 |
119 | 3HBF | UDP | 10.2902 |
120 | 3HBF | MYC | 10.2902 |
121 | 5ZYN | SIN | 10.5541 |
122 | 3S2U | UD1 | 10.8179 |
123 | 3KDM | TES | 11.9266 |
124 | 1NLM | UD1 | 12.1372 |
125 | 2CJU | PHX | 12.3894 |
126 | 5E5U | MLI | 12.8788 |
127 | 1JA9 | PYQ | 13.1387 |
128 | 2C1X | UDP | 14.0351 |
129 | 3GUZ | PAF | 14.7727 |
130 | 3IAA | TYD | 15.1442 |
131 | 3RSC | TYD | 15.1807 |
132 | 1QZZ | SAM | 15.8311 |
133 | 2YIP | YIO | 16.6667 |
134 | 2IYA | UDP | 19.7889 |
135 | 5LXM | ADP | 28.9474 |
136 | 2IYF | UDP | 31.1346 |
137 | 3H4T | UDP | 34.3008 |
138 | 3UYK | 0CX | 45.9103 |
139 | 3OTI | TYD | 47.7573 |
140 | 3OTH | TYD | 49.6042 |
141 | 3OTH | CLJ | 49.6042 |
This union binding pocket(no: 2) in the query (biounit: 4rif.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3CYQ | AMU | None |
2 | 4FRZ | ADP | 2.37467 |
3 | 2OG2 | MLI | 3.06407 |
4 | 1M1B | SPV | 3.38983 |
5 | 2AWN | ADP | 3.43008 |
6 | 3HW5 | AMP | 3.44828 |
7 | 3BP1 | GUN | 3.44828 |
8 | 5H4S | RAM | 3.52113 |
9 | 2OEM | 1AE | 3.69393 |
10 | 3H4S | ADP | 3.7037 |
11 | 1T9D | P22 | 3.95778 |
12 | 3FIU | POP | 4.41767 |
13 | 5VRH | PLM | 5.01319 |
14 | 5B0I | BOG | 5.53936 |
15 | 3GWZ | SAH | 5.96206 |
16 | 4TQK | NAG | 6.33245 |
17 | 2OFW | ADX | 8.17308 |
18 | 5ENZ | UDP | 8.17942 |
19 | 5LV1 | 78T | 8.21429 |
20 | 3ZIA | ADP | 9.52381 |
21 | 4U60 | SIA GAL NGA | 11.4286 |