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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 5 families. | |||||
1 | 1RX0 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1UDY | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
2 | 3MDE | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
3 | 3MDD | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
4 | 4L1F | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
5 | 2R0N | - | TGC | C25 H40 N7 O19 P3 S2 | CC(C)(CO[P.... |
6 | 1SIQ | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
7 | 5AHS | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
8 | 5AF7 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 1EGD | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
10 | 3PFD | - | FDA | C27 H35 N9 O15 P2 | Cc1cc2c(cc.... |
11 | 3GQT | - | UFO | C11 H17 N3 | CN1CCN(c2c.... |
12 | 3GNC | - | QQQ | C10 H12 N2 O3 S | CC(C)n1c2c.... |
13 | 1JQI | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
14 | 1BUC | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
15 | 6AF6 | - | PRO GLY | n/a | n/a |
16 | 5ZW2 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
17 | 5ZW7 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
18 | 5ZW8 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
19 | 1UKW | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
20 | 3MPJ | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
21 | 3MPI | - | GRA | C26 H42 N7 O19 P3 S | CC(C)(CO[P.... |
22 | 1RX0 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2MC | 1 | 1 |
2 | ACO | 0.893443 | 0.945652 |
3 | OXK | 0.887097 | 0.934783 |
4 | 3KK | 0.879032 | 0.956044 |
5 | CAO | 0.861789 | 0.904255 |
6 | COS | 0.861789 | 0.913979 |
7 | KFV | 0.860465 | 0.878788 |
8 | BCO | 0.851562 | 0.934783 |
9 | MLC | 0.851562 | 0.934783 |
10 | 1VU | 0.850394 | 0.945652 |
11 | CO6 | 0.850394 | 0.956044 |
12 | CAA | 0.844961 | 0.945055 |
13 | SOP | 0.84252 | 0.934783 |
14 | MC4 | 0.838462 | 0.967742 |
15 | 3HC | 0.837209 | 0.945055 |
16 | IVC | 0.837209 | 0.945055 |
17 | 1HE | 0.837209 | 0.914894 |
18 | FYN | 0.834646 | 0.934066 |
19 | COO | 0.830769 | 0.956044 |
20 | MCA | 0.830769 | 0.945652 |
21 | COK | 0.828125 | 0.913979 |
22 | YXS | 0.824427 | 0.87 |
23 | YXR | 0.824427 | 0.87 |
24 | SCA | 0.824427 | 0.934783 |
25 | COA | 0.822581 | 0.934066 |
26 | 0T1 | 0.822581 | 0.913043 |
27 | CMC | 0.821705 | 0.913979 |
28 | DCA | 0.821138 | 0.913043 |
29 | IRC | 0.818182 | 0.945055 |
30 | BYC | 0.818182 | 0.934783 |
31 | HGG | 0.818182 | 0.934783 |
32 | COW | 0.818182 | 0.924731 |
33 | 1GZ | 0.818182 | 0.945652 |
34 | 30N | 0.81746 | 0.858586 |
35 | BCA | 0.81203 | 0.924731 |
36 | FAQ | 0.81203 | 0.934783 |
37 | A1S | 0.80916 | 0.913979 |
38 | ETB | 0.806452 | 0.88172 |
39 | HXC | 0.80597 | 0.935484 |
40 | GRA | 0.80597 | 0.934783 |
41 | AMX | 0.80315 | 0.923077 |
42 | TGC | 0.8 | 0.924731 |
43 | 2CP | 0.796992 | 0.924731 |
44 | SCO | 0.796875 | 0.913043 |
45 | CMX | 0.796875 | 0.913043 |
46 | 1CZ | 0.794118 | 0.924731 |
47 | CO8 | 0.794118 | 0.935484 |
48 | 2NE | 0.794118 | 0.914894 |
49 | 2KQ | 0.791045 | 0.935484 |
50 | 3CP | 0.791045 | 0.913979 |
51 | COF | 0.791045 | 0.894737 |
52 | FAM | 0.790698 | 0.893617 |
53 | FCX | 0.790698 | 0.884211 |
54 | CS8 | 0.789855 | 0.925532 |
55 | ST9 | 0.788321 | 0.935484 |
56 | UCC | 0.788321 | 0.935484 |
57 | MFK | 0.788321 | 0.935484 |
58 | MYA | 0.788321 | 0.935484 |
59 | 5F9 | 0.788321 | 0.935484 |
60 | DCC | 0.788321 | 0.935484 |
61 | 4CA | 0.785185 | 0.904255 |
62 | HAX | 0.784615 | 0.893617 |
63 | WCA | 0.776978 | 0.935484 |
64 | SCD | 0.774436 | 0.913043 |
65 | J5H | 0.77305 | 0.934783 |
66 | YZS | 0.772727 | 0.87 |
67 | CA6 | 0.772727 | 0.851485 |
68 | MCD | 0.772727 | 0.913979 |
69 | KGP | 0.772727 | 0.87 |
70 | 4KX | 0.771429 | 0.967391 |
71 | HDC | 0.771429 | 0.935484 |
72 | KGJ | 0.768657 | 0.858586 |
73 | CIC | 0.768116 | 0.913979 |
74 | NMX | 0.766917 | 0.848485 |
75 | MRR | 0.765957 | 0.935484 |
76 | MRS | 0.765957 | 0.935484 |
77 | 0FQ | 0.76259 | 0.913979 |
78 | 4CO | 0.76259 | 0.904255 |
79 | CAJ | 0.761194 | 0.913979 |
80 | DAK | 0.760563 | 0.925532 |
81 | YNC | 0.760563 | 0.945652 |
82 | NHW | 0.758865 | 0.914894 |
83 | NHM | 0.758865 | 0.914894 |
84 | UOQ | 0.758865 | 0.914894 |
85 | 0ET | 0.757143 | 0.914894 |
86 | 01A | 0.757143 | 0.876289 |
87 | 8Z2 | 0.755245 | 0.946237 |
88 | KGA | 0.751825 | 0.85 |
89 | 1CV | 0.751773 | 0.934783 |
90 | SO5 | 0.75 | 0.861386 |
91 | LCV | 0.75 | 0.861386 |
92 | YE1 | 0.75 | 0.903226 |
93 | HFQ | 0.741259 | 0.894737 |
94 | CA8 | 0.73913 | 0.851485 |
95 | F8G | 0.736486 | 0.957447 |
96 | 1HA | 0.734694 | 0.914894 |
97 | 7L1 | 0.729323 | 0.945652 |
98 | NHQ | 0.721088 | 0.923913 |
99 | S0N | 0.71831 | 0.893617 |
100 | CCQ | 0.71831 | 0.915789 |
101 | 01K | 0.718121 | 0.934783 |
102 | CA3 | 0.703947 | 0.913979 |
103 | COT | 0.701987 | 0.913979 |
104 | CO7 | 0.687943 | 0.956044 |
105 | UCA | 0.687898 | 0.935484 |
106 | COD | 0.679389 | 0.923077 |
107 | 93P | 0.677215 | 0.904255 |
108 | CA5 | 0.670886 | 0.876289 |
109 | N9V | 0.648649 | 0.904255 |
110 | 93M | 0.646341 | 0.904255 |
111 | 4BN | 0.637427 | 0.957447 |
112 | 5TW | 0.637427 | 0.957447 |
113 | OXT | 0.616279 | 0.896907 |
114 | HMG | 0.615894 | 0.903226 |
115 | JBT | 0.610169 | 0.878788 |
116 | COA FLC | 0.609929 | 0.902174 |
117 | PLM COA | 0.597403 | 0.904255 |
118 | COA PLM | 0.597403 | 0.904255 |
119 | BSJ | 0.577143 | 0.885417 |
120 | PAP | 0.553719 | 0.758242 |
121 | ASP ASP ASP ILE CMC NH2 | 0.541176 | 0.873684 |
122 | 191 | 0.515924 | 0.888889 |
123 | PPS | 0.515873 | 0.707071 |
124 | RFC | 0.515152 | 0.935484 |
125 | SFC | 0.515152 | 0.935484 |
126 | A3P | 0.504132 | 0.747253 |
127 | ACE SER ASP ALY THR NH2 COA | 0.497297 | 0.893617 |
128 | 0WD | 0.486486 | 0.795699 |
129 | PTJ | 0.456522 | 0.815217 |
130 | 3OD | 0.446043 | 0.771739 |
131 | A22 | 0.444444 | 0.76087 |
132 | 3AM | 0.442623 | 0.736264 |
133 | A2D | 0.44 | 0.75 |
134 | PAJ | 0.437956 | 0.826087 |
135 | HQG | 0.437037 | 0.76087 |
136 | AGS | 0.435115 | 0.774194 |
137 | SAP | 0.435115 | 0.774194 |
138 | PUA | 0.433121 | 0.787234 |
139 | OAD | 0.431655 | 0.771739 |
140 | 9BG | 0.431373 | 0.739583 |
141 | ADP | 0.429688 | 0.769231 |
142 | 8LE | 0.425373 | 0.793478 |
143 | ATR | 0.424242 | 0.747253 |
144 | 8LQ | 0.423358 | 0.782609 |
145 | BA3 | 0.421875 | 0.75 |
146 | 9X8 | 0.421429 | 0.774194 |
147 | HEJ | 0.419847 | 0.769231 |
148 | ATP | 0.419847 | 0.769231 |
149 | B4P | 0.418605 | 0.75 |
150 | AP5 | 0.418605 | 0.75 |
151 | ADQ | 0.417266 | 0.752688 |
152 | 5FA | 0.416667 | 0.769231 |
153 | AR6 | 0.416667 | 0.75 |
154 | AQP | 0.416667 | 0.769231 |
155 | APR | 0.416667 | 0.75 |
156 | 48N | 0.416107 | 0.776596 |
157 | A2R | 0.416058 | 0.76087 |
158 | AN2 | 0.415385 | 0.76087 |
159 | M33 | 0.412214 | 0.76087 |
160 | NA7 | 0.411348 | 0.802198 |
161 | SRP | 0.408759 | 0.782609 |
162 | YLB | 0.407895 | 0.849462 |
163 | ANP | 0.407407 | 0.752688 |
164 | YLP | 0.406667 | 0.849462 |
165 | 2A5 | 0.406015 | 0.791209 |
166 | ME8 | 0.405594 | 0.789474 |
167 | FYA | 0.405594 | 0.76087 |
168 | TXA | 0.405594 | 0.763441 |
169 | AT4 | 0.40458 | 0.782609 |
170 | 5AL | 0.404412 | 0.76087 |
171 | F2R | 0.403846 | 0.810526 |
172 | NJP | 0.403846 | 0.755319 |
173 | AD9 | 0.402985 | 0.752688 |
174 | 25L | 0.402778 | 0.76087 |
175 | CA0 | 0.401515 | 0.752688 |
176 | ATF | 0.40146 | 0.744681 |
177 | LAQ | 0.4 | 0.789474 |
178 | OOB | 0.4 | 0.741935 |
179 | 8QN | 0.4 | 0.76087 |
180 | 9ZD | 0.4 | 0.765957 |
181 | 9ZA | 0.4 | 0.765957 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FAD | 1 | 1 |
2 | FAS | 1 | 1 |
3 | FAY | 0.859259 | 0.9875 |
4 | RFL | 0.852941 | 0.963855 |
5 | 6FA | 0.794118 | 0.987654 |
6 | FAE | 0.751773 | 0.987654 |
7 | SFD | 0.651007 | 0.860215 |
8 | FDA | 0.641892 | 0.906977 |
9 | FNK | 0.602564 | 0.876405 |
10 | 62F | 0.572327 | 0.939024 |
11 | F2N | 0.566265 | 0.886364 |
12 | FMN | 0.543307 | 0.876543 |
13 | FA9 | 0.526316 | 0.939759 |
14 | 6YU | 0.516304 | 0.860215 |
15 | P6G FDA | 0.511628 | 0.908046 |
16 | FAD NBT | 0.508876 | 0.83871 |
17 | A2D | 0.504065 | 0.875 |
18 | P5F | 0.491329 | 0.941176 |
19 | FAD CNX | 0.488506 | 0.8125 |
20 | AR6 | 0.488372 | 0.851852 |
21 | APR | 0.488372 | 0.851852 |
22 | SAP | 0.484615 | 0.811765 |
23 | AGS | 0.484615 | 0.811765 |
24 | M33 | 0.484375 | 0.864198 |
25 | BA3 | 0.484127 | 0.875 |
26 | ATP | 0.48062 | 0.851852 |
27 | HEJ | 0.48062 | 0.851852 |
28 | AP5 | 0.480315 | 0.875 |
29 | B4P | 0.480315 | 0.875 |
30 | ADP | 0.480315 | 0.851852 |
31 | ANP | 0.477273 | 0.831325 |
32 | 5FA | 0.476923 | 0.851852 |
33 | AQP | 0.476923 | 0.851852 |
34 | 48N | 0.469388 | 0.902439 |
35 | OAD | 0.467626 | 0.876543 |
36 | 9X8 | 0.467626 | 0.833333 |
37 | FAD NBA | 0.467033 | 0.793814 |
38 | GTA | 0.465753 | 0.892857 |
39 | AT4 | 0.465116 | 0.821429 |
40 | AN2 | 0.465116 | 0.841463 |
41 | HQG | 0.463235 | 0.841463 |
42 | AD9 | 0.462121 | 0.831325 |
43 | 3OD | 0.460993 | 0.876543 |
44 | RBF | 0.460938 | 0.790123 |
45 | FB0 | 0.460606 | 0.835165 |
46 | 139 | 0.460526 | 0.858824 |
47 | AP0 | 0.46 | 0.835294 |
48 | A22 | 0.459854 | 0.864198 |
49 | ACP | 0.458015 | 0.853659 |
50 | 8QN | 0.456522 | 0.864198 |
51 | PRX | 0.454545 | 0.831325 |
52 | A1R | 0.453237 | 0.86747 |
53 | A3R | 0.453237 | 0.86747 |
54 | G3A | 0.452055 | 0.902439 |
55 | T5A | 0.45098 | 0.872093 |
56 | G5P | 0.44898 | 0.902439 |
57 | ATF | 0.448529 | 0.821429 |
58 | 50T | 0.44697 | 0.819277 |
59 | OZV | 0.446043 | 0.851852 |
60 | 6YZ | 0.445255 | 0.853659 |
61 | ACQ | 0.444444 | 0.853659 |
62 | CNV FAD | 0.443182 | 0.917647 |
63 | PAJ | 0.442857 | 0.847059 |
64 | ADQ | 0.442857 | 0.853659 |
65 | 8LE | 0.441176 | 0.855422 |
66 | 5AL | 0.441176 | 0.864198 |
67 | CA0 | 0.439394 | 0.853659 |
68 | ADX | 0.439394 | 0.775281 |
69 | 8LQ | 0.438849 | 0.865854 |
70 | A4P | 0.437909 | 0.831461 |
71 | 25L | 0.4375 | 0.864198 |
72 | P33 FDA | 0.436464 | 0.817204 |
73 | KG4 | 0.43609 | 0.853659 |
74 | 5SV | 0.435714 | 0.793103 |
75 | 8LH | 0.434783 | 0.843373 |
76 | OMR | 0.434211 | 0.818182 |
77 | TXE | 0.434211 | 0.890244 |
78 | 45A | 0.434109 | 0.829268 |
79 | ABM | 0.434109 | 0.829268 |
80 | AMP | 0.433071 | 0.82716 |
81 | A | 0.433071 | 0.82716 |
82 | 4AD | 0.432624 | 0.855422 |
83 | ADJ | 0.432258 | 0.818182 |
84 | B5Y | 0.431507 | 0.878049 |
85 | B5M | 0.431507 | 0.878049 |
86 | BIS | 0.430556 | 0.802326 |
87 | SRA | 0.429688 | 0.788235 |
88 | AFH | 0.42953 | 0.825581 |
89 | NXX | 0.427632 | 0.865854 |
90 | UP5 | 0.427632 | 0.878049 |
91 | TXD | 0.427632 | 0.890244 |
92 | 6V0 | 0.427632 | 0.857143 |
93 | DND | 0.427632 | 0.865854 |
94 | DQV | 0.426667 | 0.8875 |
95 | SRP | 0.42446 | 0.843373 |
96 | PR8 | 0.423611 | 0.837209 |
97 | TAT | 0.423358 | 0.821429 |
98 | T99 | 0.423358 | 0.821429 |
99 | AMO | 0.422535 | 0.865854 |
100 | FYA | 0.42069 | 0.864198 |
101 | TXA | 0.42069 | 0.865854 |
102 | PTJ | 0.42069 | 0.835294 |
103 | CNA | 0.420382 | 0.865854 |
104 | 00A | 0.41958 | 0.823529 |
105 | AHX | 0.41958 | 0.835294 |
106 | MAP | 0.41844 | 0.811765 |
107 | NAI | 0.418301 | 0.845238 |
108 | AU1 | 0.41791 | 0.831325 |
109 | AP2 | 0.416667 | 0.843373 |
110 | A12 | 0.416667 | 0.843373 |
111 | 9ZA | 0.415493 | 0.845238 |
112 | 9ZD | 0.415493 | 0.845238 |
113 | 25A | 0.415493 | 0.851852 |
114 | COD | 0.415094 | 0.842697 |
115 | 4TC | 0.412903 | 0.879518 |
116 | APC | 0.411765 | 0.843373 |
117 | ME8 | 0.410959 | 0.806818 |
118 | NB8 | 0.410959 | 0.835294 |
119 | 1ZZ | 0.410959 | 0.806818 |
120 | ADP MG | 0.410448 | 0.82716 |
121 | NAX | 0.409091 | 0.837209 |
122 | 4UW | 0.409091 | 0.825581 |
123 | F2R | 0.408805 | 0.850575 |
124 | RBY | 0.408759 | 0.843373 |
125 | ADV | 0.408759 | 0.843373 |
126 | P1H | 0.405882 | 0.818182 |
127 | OOB | 0.405594 | 0.864198 |
128 | A A | 0.40411 | 0.829268 |
129 | LAD | 0.40411 | 0.825581 |
130 | UPA | 0.403846 | 0.86747 |
131 | 4UU | 0.401316 | 0.833333 |
132 | GA7 | 0.401316 | 0.865854 |
133 | A3D | 0.401235 | 0.876543 |
134 | 80F | 0.401235 | 0.808989 |
135 | XAH | 0.4 | 0.806818 |
136 | DLL | 0.4 | 0.864198 |
This union binding pocket(no: 2) in the query (biounit: 1rx0.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1rx0.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |