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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 3PW1 | - | FAQ | C29 H42 N7 O17 P3 S | CC(C)(CO[P.... |
2 | 3PVR | - | BYC | C28 H40 N7 O17 P3 S | CC(C)(CO[P.... |
3 | 3PVT | - | 3HC | C25 H42 N7 O18 P3 S | CC(CC(=O)S.... |
4 | 3PVY | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3PW1 | - | FAQ | C29 H42 N7 O17 P3 S | CC(C)(CO[P.... |
2 | 3PVR | - | BYC | C28 H40 N7 O17 P3 S | CC(C)(CO[P.... |
3 | 3PVT | - | 3HC | C25 H42 N7 O18 P3 S | CC(CC(=O)S.... |
4 | 3PVY | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FAQ | 1 | 1 |
2 | 1VU | 0.860465 | 0.966292 |
3 | BCO | 0.847328 | 0.977273 |
4 | 1HE | 0.847328 | 0.955556 |
5 | 3HC | 0.847328 | 0.988506 |
6 | IVC | 0.847328 | 0.988506 |
7 | MLC | 0.847328 | 0.977273 |
8 | ACO | 0.84375 | 0.966292 |
9 | BYC | 0.842105 | 1 |
10 | CAA | 0.840909 | 0.988506 |
11 | SCA | 0.834586 | 0.977273 |
12 | 3KK | 0.830769 | 0.977273 |
13 | HGG | 0.828358 | 0.977273 |
14 | CAO | 0.828125 | 0.944444 |
15 | COS | 0.828125 | 0.955056 |
16 | OXK | 0.824427 | 0.977273 |
17 | CO6 | 0.818182 | 0.977273 |
18 | HXC | 0.816176 | 0.955556 |
19 | GRA | 0.816176 | 0.977273 |
20 | COW | 0.814815 | 0.988636 |
21 | 2MC | 0.81203 | 0.934783 |
22 | TGC | 0.810219 | 0.966292 |
23 | CO8 | 0.804348 | 0.955556 |
24 | DCA | 0.80315 | 0.932584 |
25 | FYN | 0.80303 | 0.977012 |
26 | MCA | 0.8 | 0.966292 |
27 | COO | 0.8 | 0.977273 |
28 | UCC | 0.798561 | 0.955556 |
29 | MFK | 0.798561 | 0.955556 |
30 | 5F9 | 0.798561 | 0.955556 |
31 | MYA | 0.798561 | 0.955556 |
32 | DCC | 0.798561 | 0.955556 |
33 | ST9 | 0.798561 | 0.955556 |
34 | COK | 0.796992 | 0.955056 |
35 | SOP | 0.796992 | 0.955056 |
36 | YXR | 0.794118 | 0.886598 |
37 | YXS | 0.794118 | 0.886598 |
38 | MC4 | 0.794118 | 0.924731 |
39 | 2NE | 0.791367 | 0.977528 |
40 | CMC | 0.791045 | 0.955056 |
41 | COA | 0.790698 | 0.977012 |
42 | 0T1 | 0.790698 | 0.954545 |
43 | IRC | 0.788321 | 0.988506 |
44 | 1GZ | 0.788321 | 0.966292 |
45 | KFV | 0.788321 | 0.895833 |
46 | CS8 | 0.787234 | 0.945055 |
47 | 30N | 0.78626 | 0.894737 |
48 | 0FQ | 0.785714 | 0.977273 |
49 | BCA | 0.782609 | 0.988636 |
50 | HDC | 0.78169 | 0.955556 |
51 | A1S | 0.779412 | 0.955056 |
52 | ETB | 0.775194 | 0.9 |
53 | AMX | 0.772727 | 0.965517 |
54 | YNC | 0.770833 | 0.966292 |
55 | 4CA | 0.769784 | 0.966292 |
56 | 2CP | 0.768116 | 0.944444 |
57 | CMX | 0.766917 | 0.954545 |
58 | SCO | 0.766917 | 0.954545 |
59 | 1CZ | 0.765957 | 0.966292 |
60 | COF | 0.76259 | 0.934066 |
61 | 3CP | 0.76259 | 0.955056 |
62 | 2KQ | 0.76259 | 0.955556 |
63 | FCX | 0.761194 | 0.923077 |
64 | FAM | 0.761194 | 0.933333 |
65 | J5H | 0.758621 | 1 |
66 | KGP | 0.757353 | 0.886598 |
67 | YZS | 0.757353 | 0.886598 |
68 | HAX | 0.755556 | 0.933333 |
69 | CA8 | 0.75 | 0.90625 |
70 | WCA | 0.75 | 0.977528 |
71 | YE1 | 0.748201 | 0.965909 |
72 | SCD | 0.746377 | 0.954545 |
73 | CAJ | 0.746377 | 0.933333 |
74 | 1HA | 0.744966 | 0.977528 |
75 | 4KX | 0.744828 | 0.966667 |
76 | CA6 | 0.744526 | 0.867347 |
77 | MCD | 0.744526 | 0.933333 |
78 | CIC | 0.741259 | 0.955056 |
79 | MRS | 0.739726 | 0.955556 |
80 | MRR | 0.739726 | 0.955556 |
81 | NMX | 0.73913 | 0.884211 |
82 | 4CO | 0.736111 | 0.966292 |
83 | LCV | 0.735714 | 0.877551 |
84 | SO5 | 0.735714 | 0.877551 |
85 | DAK | 0.734694 | 0.966667 |
86 | 01A | 0.731034 | 0.934783 |
87 | 0ET | 0.731034 | 0.934066 |
88 | 8Z2 | 0.72973 | 0.945055 |
89 | CCQ | 0.729167 | 0.934783 |
90 | KGJ | 0.728571 | 0.875 |
91 | 1CV | 0.726027 | 0.977273 |
92 | KGA | 0.725352 | 0.865979 |
93 | COT | 0.723684 | 0.977273 |
94 | NHW | 0.721088 | 0.934066 |
95 | UOQ | 0.721088 | 0.934066 |
96 | NHM | 0.721088 | 0.934066 |
97 | 93P | 0.719745 | 0.966292 |
98 | S0N | 0.717241 | 0.955056 |
99 | HFQ | 0.716216 | 0.955556 |
100 | NHQ | 0.708609 | 0.965909 |
101 | 93M | 0.708075 | 0.966292 |
102 | CA3 | 0.703226 | 0.977273 |
103 | F8G | 0.701299 | 0.935484 |
104 | UCA | 0.698113 | 0.977528 |
105 | 01K | 0.694805 | 0.955056 |
106 | RMW | 0.691824 | 0.977528 |
107 | 7L1 | 0.690647 | 0.966292 |
108 | CA5 | 0.68125 | 0.934783 |
109 | CO7 | 0.664384 | 0.977273 |
110 | COD | 0.642336 | 0.965517 |
111 | BUA COA | 0.641892 | 0.94382 |
112 | N9V | 0.627451 | 0.923077 |
113 | 6NA COA | 0.620915 | 0.923077 |
114 | OXT | 0.617143 | 0.935484 |
115 | HMG | 0.616883 | 0.94382 |
116 | 4BN | 0.610169 | 0.935484 |
117 | 5TW | 0.610169 | 0.935484 |
118 | DAO COA | 0.608974 | 0.923077 |
119 | DKA COA | 0.608974 | 0.923077 |
120 | X90 COA | 0.608974 | 0.923077 |
121 | PLM COA | 0.608974 | 0.923077 |
122 | MYR COA | 0.608974 | 0.923077 |
123 | EO3 COA | 0.608974 | 0.923077 |
124 | DCR COA | 0.608974 | 0.923077 |
125 | JBT | 0.593407 | 0.915789 |
126 | COA FLC | 0.589041 | 0.943182 |
127 | BSJ | 0.561111 | 0.945055 |
128 | ASP ASP ASP ILE NH2 CMC | 0.534483 | 0.912088 |
129 | PAP | 0.531746 | 0.793103 |
130 | RFC | 0.508876 | 0.977528 |
131 | SFC | 0.508876 | 0.977528 |
132 | MET VAL ASN ALA CMC | 0.497326 | 0.912088 |
133 | PPS | 0.496183 | 0.736842 |
134 | ACE SER ASP ALY THR NH2 COA | 0.484211 | 0.912088 |
135 | A3P | 0.484127 | 0.781609 |
136 | 0WD | 0.470588 | 0.791209 |
137 | ACE MET LEU GLY PRO NH2 COA | 0.457711 | 0.912088 |
138 | 5AD NJS | 0.453039 | 0.934783 |
139 | DLL | 0.439716 | 0.795455 |
140 | FYA | 0.430556 | 0.816092 |
141 | PTJ | 0.430556 | 0.852273 |
142 | 3AM | 0.425197 | 0.770115 |
143 | FA5 | 0.421769 | 0.818182 |
144 | 3OD | 0.42069 | 0.806818 |
145 | PUA | 0.419753 | 0.822222 |
146 | A22 | 0.41844 | 0.816092 |
147 | OOB | 0.415493 | 0.795455 |
148 | PAJ | 0.412587 | 0.863636 |
149 | A2D | 0.412214 | 0.804598 |
150 | A2R | 0.411348 | 0.795455 |
151 | HQG | 0.411348 | 0.795455 |
152 | UBG | 0.410112 | 0.846154 |
153 | 8LE | 0.410072 | 0.829545 |
154 | 9BG | 0.408805 | 0.791209 |
155 | AGS | 0.408759 | 0.808989 |
156 | ATR | 0.408759 | 0.781609 |
157 | OAD | 0.406897 | 0.806818 |
158 | ADP | 0.402985 | 0.804598 |
159 | APR | 0.40146 | 0.784091 |
160 | 2A5 | 0.40146 | 0.827586 |
161 | AR6 | 0.40146 | 0.784091 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3pvt.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3pvt.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |