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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 275 families. | |||||
1 | 2WLE | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
2 | 2WLG | - | SOP | C24 H40 N7 O17 P3 S | CC(=O)CSCC.... |
3 | 2WLF | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 2WLE | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
2 | 2WLG | - | SOP | C24 H40 N7 O17 P3 S | CC(=O)CSCC.... |
3 | 2WLF | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SOP | 1 | 1 |
2 | CMC | 0.92562 | 0.977273 |
3 | CAO | 0.891667 | 0.944444 |
4 | COF | 0.888889 | 0.955556 |
5 | ACO | 0.877049 | 0.966292 |
6 | COS | 0.876033 | 0.955056 |
7 | 4CO | 0.869231 | 0.966292 |
8 | A1S | 0.865079 | 0.977273 |
9 | 01A | 0.862595 | 0.934783 |
10 | 0FQ | 0.854962 | 0.977273 |
11 | 2CP | 0.851562 | 0.988636 |
12 | UOQ | 0.849624 | 0.977528 |
13 | NHM | 0.849624 | 0.977528 |
14 | NHW | 0.849624 | 0.977528 |
15 | FYN | 0.848 | 0.977012 |
16 | 3KK | 0.848 | 0.977273 |
17 | 3CP | 0.844961 | 0.977273 |
18 | CAA | 0.84375 | 0.965909 |
19 | HFQ | 0.843284 | 0.955556 |
20 | 2MC | 0.84252 | 0.934783 |
21 | OXK | 0.84127 | 0.955056 |
22 | COK | 0.84127 | 0.955056 |
23 | 4CA | 0.838462 | 0.966292 |
24 | MC4 | 0.837209 | 0.924731 |
25 | COA | 0.836066 | 0.977012 |
26 | 0T1 | 0.836066 | 0.954545 |
27 | DCA | 0.834711 | 0.954545 |
28 | 1VU | 0.834646 | 0.966292 |
29 | CO6 | 0.834646 | 0.977273 |
30 | 30N | 0.830645 | 0.894737 |
31 | 3HC | 0.821705 | 0.965909 |
32 | 1HE | 0.821705 | 0.955556 |
33 | IVC | 0.821705 | 0.965909 |
34 | MLC | 0.821705 | 0.955056 |
35 | BCO | 0.821705 | 0.955056 |
36 | ETB | 0.819672 | 0.921348 |
37 | CIC | 0.819549 | 0.977273 |
38 | FAM | 0.81746 | 0.933333 |
39 | COW | 0.816794 | 0.944444 |
40 | KFV | 0.816794 | 0.895833 |
41 | AMX | 0.816 | 0.965517 |
42 | COO | 0.815385 | 0.955056 |
43 | MCA | 0.815385 | 0.966292 |
44 | TGC | 0.81203 | 0.966292 |
45 | BCA | 0.810606 | 0.944444 |
46 | SCO | 0.809524 | 0.954545 |
47 | CMX | 0.809524 | 0.954545 |
48 | SCA | 0.80916 | 0.955056 |
49 | YXR | 0.80916 | 0.886598 |
50 | YXS | 0.80916 | 0.886598 |
51 | 0ET | 0.807407 | 0.977528 |
52 | 2NE | 0.80597 | 0.934066 |
53 | NHQ | 0.805755 | 0.988506 |
54 | FCX | 0.80315 | 0.923077 |
55 | 1GZ | 0.80303 | 0.944444 |
56 | BYC | 0.80303 | 0.955056 |
57 | HGG | 0.80303 | 0.955056 |
58 | IRC | 0.80303 | 0.965909 |
59 | 2KQ | 0.80303 | 0.955556 |
60 | CS8 | 0.801471 | 0.966667 |
61 | 01K | 0.801418 | 1 |
62 | MCD | 0.79845 | 0.955056 |
63 | FAQ | 0.796992 | 0.955056 |
64 | HAX | 0.796875 | 0.933333 |
65 | COT | 0.795775 | 0.977273 |
66 | GRA | 0.791045 | 0.955056 |
67 | HXC | 0.791045 | 0.955556 |
68 | SCD | 0.78626 | 0.954545 |
69 | CA6 | 0.784615 | 0.90625 |
70 | YZS | 0.784615 | 0.886598 |
71 | KGP | 0.784615 | 0.886598 |
72 | KGJ | 0.780303 | 0.894737 |
73 | CO8 | 0.779412 | 0.955556 |
74 | 1CZ | 0.779412 | 0.944444 |
75 | NMX | 0.778626 | 0.884211 |
76 | 5F9 | 0.773723 | 0.955556 |
77 | UCC | 0.773723 | 0.955556 |
78 | ST9 | 0.773723 | 0.955556 |
79 | DCC | 0.773723 | 0.955556 |
80 | MYA | 0.773723 | 0.955556 |
81 | MFK | 0.773723 | 0.955556 |
82 | CAJ | 0.772727 | 0.955056 |
83 | KGA | 0.762963 | 0.885417 |
84 | 1CV | 0.76259 | 0.955056 |
85 | WCA | 0.76259 | 0.934066 |
86 | YE1 | 0.761194 | 0.94382 |
87 | LCV | 0.761194 | 0.877551 |
88 | SO5 | 0.761194 | 0.877551 |
89 | J5H | 0.758865 | 0.955056 |
90 | 4KX | 0.757143 | 0.923913 |
91 | HDC | 0.757143 | 0.955556 |
92 | MRR | 0.751773 | 0.955556 |
93 | MRS | 0.751773 | 0.955556 |
94 | CA8 | 0.75 | 0.867347 |
95 | CA3 | 0.748299 | 0.977273 |
96 | CA5 | 0.746667 | 0.934783 |
97 | DAK | 0.746479 | 0.945055 |
98 | YNC | 0.746479 | 0.944444 |
99 | 8Z2 | 0.741259 | 0.945055 |
100 | S0N | 0.741007 | 0.933333 |
101 | 1HA | 0.732877 | 0.934066 |
102 | 93M | 0.717949 | 0.966292 |
103 | CCQ | 0.716312 | 0.956044 |
104 | 7L1 | 0.714286 | 0.966292 |
105 | F8G | 0.711409 | 0.914894 |
106 | 93P | 0.707792 | 0.966292 |
107 | COD | 0.676923 | 0.965517 |
108 | UCA | 0.675159 | 0.955556 |
109 | CO7 | 0.673759 | 0.955056 |
110 | N9V | 0.646259 | 0.902174 |
111 | OXT | 0.633136 | 0.914894 |
112 | COA FLC | 0.618705 | 0.943182 |
113 | 4BN | 0.616279 | 0.914894 |
114 | 5TW | 0.616279 | 0.914894 |
115 | ASP ASP ASP ILE CMC NH2 | 0.604938 | 0.933333 |
116 | JBT | 0.59887 | 0.895833 |
117 | BSJ | 0.593023 | 0.945055 |
118 | HMG | 0.592105 | 0.922222 |
119 | COA PLM | 0.584416 | 0.923077 |
120 | PLM COA | 0.584416 | 0.923077 |
121 | PAP | 0.563025 | 0.793103 |
122 | ACE SER ASP ALY THR NH2 COA | 0.553672 | 0.955056 |
123 | A3P | 0.512605 | 0.781609 |
124 | PPS | 0.512 | 0.736842 |
125 | 191 | 0.503185 | 0.867347 |
126 | SFC | 0.50303 | 0.955556 |
127 | RFC | 0.50303 | 0.955556 |
128 | 0WD | 0.493151 | 0.771739 |
129 | PTJ | 0.452555 | 0.852273 |
130 | 3AM | 0.45 | 0.770115 |
131 | 3OD | 0.442029 | 0.806818 |
132 | A22 | 0.440298 | 0.795455 |
133 | PUA | 0.43871 | 0.802198 |
134 | A2D | 0.435484 | 0.784091 |
135 | PAJ | 0.433824 | 0.863636 |
136 | HQG | 0.432836 | 0.795455 |
137 | ATR | 0.430769 | 0.781609 |
138 | SAP | 0.430769 | 0.788889 |
139 | AGS | 0.430769 | 0.788889 |
140 | 9BG | 0.427632 | 0.771739 |
141 | OAD | 0.427536 | 0.806818 |
142 | ADP | 0.425197 | 0.804598 |
143 | A2R | 0.422222 | 0.795455 |
144 | 8LE | 0.421053 | 0.829545 |
145 | BA3 | 0.417323 | 0.784091 |
146 | 9X8 | 0.417266 | 0.788889 |
147 | NA7 | 0.417266 | 0.83908 |
148 | ATP | 0.415385 | 0.804598 |
149 | HEJ | 0.415385 | 0.804598 |
150 | AP5 | 0.414062 | 0.784091 |
151 | B4P | 0.414062 | 0.784091 |
152 | YLB | 0.413333 | 0.88764 |
153 | AQP | 0.412214 | 0.804598 |
154 | APR | 0.412214 | 0.784091 |
155 | 2A5 | 0.412214 | 0.827586 |
156 | 5FA | 0.412214 | 0.804598 |
157 | AR6 | 0.412214 | 0.784091 |
158 | YLP | 0.412162 | 0.88764 |
159 | 48N | 0.412162 | 0.811111 |
160 | TXA | 0.411348 | 0.797753 |
161 | ME8 | 0.411348 | 0.844444 |
162 | AN2 | 0.410853 | 0.795455 |
163 | 8LQ | 0.408759 | 0.818182 |
164 | M33 | 0.407692 | 0.795455 |
165 | NPW | 0.405229 | 0.804348 |
166 | SRP | 0.404412 | 0.818182 |
167 | ANP | 0.402985 | 0.786517 |
168 | ADQ | 0.402878 | 0.786517 |
169 | 1ZZ | 0.401408 | 0.844444 |
170 | FYA | 0.401408 | 0.795455 |
171 | APU | 0.401316 | 0.769231 |
172 | F2R | 0.4 | 0.846154 |
173 | 5AL | 0.4 | 0.795455 |
174 | 00A | 0.4 | 0.741935 |
175 | NJP | 0.4 | 0.788889 |
176 | AT4 | 0.4 | 0.797753 |
This union binding pocket(no: 1) in the query (biounit: 2wlg.bio1) has 51 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2wlg.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |