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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 1 families. | |||||
1 | 2IVF | - | MD1 | C20 H26 N10 O13 P2 S2 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2IVF | - | MD1 | C20 H26 N10 O13 P2 S2 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MD1 | 1 | 1 |
2 | GP3 | 0.612613 | 0.892857 |
3 | GDP | 0.607143 | 0.891566 |
4 | G1R | 0.6 | 0.880952 |
5 | GTP | 0.591304 | 0.891566 |
6 | GNH | 0.587719 | 0.880952 |
7 | GSP | 0.581197 | 0.894118 |
8 | GMV | 0.577586 | 0.870588 |
9 | GCP | 0.57265 | 0.892857 |
10 | 2MD | 0.571429 | 0.97619 |
11 | G2R | 0.570248 | 0.882353 |
12 | GNP | 0.567797 | 0.870588 |
13 | 9GM | 0.567797 | 0.870588 |
14 | 5GP | 0.5625 | 0.879518 |
15 | G | 0.5625 | 0.879518 |
16 | Y9Z | 0.56 | 0.833333 |
17 | MGD | 0.547445 | 0.97619 |
18 | GTG | 0.543307 | 0.862069 |
19 | CAG | 0.536232 | 0.815217 |
20 | GDC | 0.535433 | 0.882353 |
21 | GKE | 0.535433 | 0.882353 |
22 | GDD | 0.535433 | 0.882353 |
23 | GAV | 0.532787 | 0.904762 |
24 | GFB | 0.53125 | 0.882353 |
25 | GDR | 0.53125 | 0.882353 |
26 | G3A | 0.527132 | 0.892857 |
27 | 6CK | 0.527132 | 0.862069 |
28 | GDX | 0.526718 | 0.892857 |
29 | GP2 | 0.525424 | 0.882353 |
30 | G5P | 0.523077 | 0.892857 |
31 | GKD | 0.519084 | 0.882353 |
32 | JB2 | 0.519084 | 0.882353 |
33 | G2P | 0.516393 | 0.882353 |
34 | GPG | 0.515873 | 0.882353 |
35 | YGP | 0.515625 | 0.895349 |
36 | GPD | 0.515152 | 0.873563 |
37 | NGD | 0.514706 | 0.882353 |
38 | ALF 5GP | 0.512397 | 0.8 |
39 | GDP AF3 | 0.512 | 0.8 |
40 | JB3 | 0.507353 | 0.872093 |
41 | GDP ALF | 0.5 | 0.8 |
42 | ALF GDP | 0.5 | 0.8 |
43 | PGD | 0.5 | 0.940476 |
44 | FEG | 0.492754 | 0.833333 |
45 | ZGP | 0.489209 | 0.865169 |
46 | DBG | 0.482993 | 0.872093 |
47 | G3D | 0.48 | 0.879518 |
48 | GDP 7MG | 0.477612 | 0.83908 |
49 | U2G | 0.471429 | 0.905882 |
50 | PGD O | 0.469799 | 0.931818 |
51 | CG2 | 0.464789 | 0.905882 |
52 | TPG | 0.463087 | 0.879121 |
53 | G G | 0.462687 | 0.870588 |
54 | G4P | 0.460938 | 0.879518 |
55 | 0O2 | 0.458015 | 0.879518 |
56 | FE9 | 0.452703 | 0.833333 |
57 | GMP | 0.451327 | 0.785714 |
58 | G4M | 0.443038 | 0.815217 |
59 | GH3 | 0.430769 | 0.891566 |
60 | BGO | 0.430556 | 0.850575 |
61 | 3GP | 0.429752 | 0.845238 |
62 | G1R G1R | 0.424837 | 0.850575 |
63 | GPX | 0.424242 | 0.845238 |
64 | A G | 0.418919 | 0.858824 |
65 | DGI | 0.417323 | 0.848837 |
66 | U A G G | 0.416107 | 0.858824 |
67 | DGT | 0.415385 | 0.848837 |
68 | IDP | 0.412698 | 0.86747 |
69 | GGM | 0.412162 | 0.831461 |
70 | GCP G | 0.411765 | 0.823529 |
71 | R5I | 0.410853 | 0.845238 |
72 | R7I | 0.410853 | 0.845238 |
73 | G A A A | 0.409396 | 0.848837 |
74 | G1G | 0.407895 | 0.852273 |
75 | P2G | 0.4 | 0.790698 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MGD | 1 | 1 |
2 | PGD O | 0.706349 | 0.954023 |
3 | 2MD | 0.694215 | 1 |
4 | G1R | 0.636364 | 0.880952 |
5 | GP3 | 0.635514 | 0.892857 |
6 | GNH | 0.623853 | 0.880952 |
7 | GSP | 0.616071 | 0.894118 |
8 | GDP | 0.614679 | 0.891566 |
9 | GTP | 0.612613 | 0.891566 |
10 | PGD | 0.606061 | 0.963855 |
11 | GCP | 0.59292 | 0.870588 |
12 | G2R | 0.589744 | 0.860465 |
13 | 9GM | 0.587719 | 0.870588 |
14 | GNP | 0.587719 | 0.870588 |
15 | GMV | 0.584071 | 0.870588 |
16 | Y9Z | 0.578512 | 0.813187 |
17 | G | 0.568807 | 0.879518 |
18 | 5GP | 0.568807 | 0.879518 |
19 | GFB | 0.560976 | 0.882353 |
20 | GDR | 0.560976 | 0.882353 |
21 | G3A | 0.556452 | 0.892857 |
22 | GDD | 0.552846 | 0.882353 |
23 | GKE | 0.552846 | 0.882353 |
24 | GDC | 0.552846 | 0.882353 |
25 | G5P | 0.552 | 0.892857 |
26 | GAV | 0.550847 | 0.904762 |
27 | GTG | 0.548387 | 0.862069 |
28 | GKD | 0.547619 | 0.882353 |
29 | MD1 | 0.547445 | 0.97619 |
30 | 6CK | 0.544 | 0.862069 |
31 | GP2 | 0.54386 | 0.860465 |
32 | NGD | 0.541985 | 0.882353 |
33 | MTE | 0.541284 | 0.855422 |
34 | JB2 | 0.535433 | 0.882353 |
35 | G2P | 0.533898 | 0.860465 |
36 | GPG | 0.532787 | 0.882353 |
37 | YGP | 0.532258 | 0.895349 |
38 | GDX | 0.53125 | 0.892857 |
39 | GPD | 0.53125 | 0.852273 |
40 | JB3 | 0.522727 | 0.872093 |
41 | FEG | 0.518797 | 0.813187 |
42 | ALF 5GP | 0.516949 | 0.8 |
43 | ZGP | 0.514925 | 0.844444 |
44 | CAG | 0.507246 | 0.815217 |
45 | GDP AF3 | 0.504065 | 0.8 |
46 | GDP ALF | 0.504065 | 0.8 |
47 | ALF GDP | 0.504065 | 0.8 |
48 | PTE | 0.503937 | 0.827586 |
49 | G G | 0.5 | 0.870588 |
50 | U2G | 0.496296 | 0.905882 |
51 | G3D | 0.495868 | 0.879518 |
52 | 0O2 | 0.484127 | 0.879518 |
53 | CG2 | 0.478261 | 0.905882 |
54 | TPG | 0.475862 | 0.879121 |
55 | G4P | 0.475806 | 0.879518 |
56 | GDP 7MG | 0.469697 | 0.83908 |
57 | GMP | 0.46789 | 0.785714 |
58 | DBG | 0.465753 | 0.872093 |
59 | 3GP | 0.456897 | 0.845238 |
60 | FE9 | 0.455172 | 0.852632 |
61 | G1R G1R | 0.445946 | 0.850575 |
62 | G1G | 0.438356 | 0.852273 |
63 | G4M | 0.435897 | 0.815217 |
64 | GCP G | 0.435115 | 0.823529 |
65 | GH3 | 0.433071 | 0.869048 |
66 | G A A A | 0.430556 | 0.848837 |
67 | A G | 0.430556 | 0.858824 |
68 | U A G G | 0.427586 | 0.858824 |
69 | R5I | 0.424 | 0.845238 |
70 | R7I | 0.424 | 0.845238 |
71 | DGT | 0.417323 | 0.827586 |
72 | GPX | 0.415385 | 0.845238 |
73 | 2GP | 0.408333 | 0.857143 |
74 | DGI | 0.408 | 0.827586 |
75 | IDP | 0.403226 | 0.86747 |
76 | AKW | 0.402778 | 0.863636 |
77 | BGO | 0.402778 | 0.850575 |
78 | P2G | 0.401639 | 0.790698 |
79 | G U | 0.4 | 0.872093 |
This union binding pocket(no: 1) in the query (biounit: 2ivf.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3JQA | DX4 | 2.80374 |
2 | 5OFW | 9TW | 3.27103 |
3 | 5N53 | 8NB | 3.58974 |
4 | 4RL4 | PPV | 3.77358 |
5 | 4IJ6 | SEP | 3.79147 |
6 | 5AWM | ANP | 3.97727 |
7 | 6BSW | UDP | 4.20561 |
8 | 3LCC | SAH | 4.68085 |
9 | 4ISS | TAR | 5.11364 |
10 | 5AHO | TLA | 5.14019 |
11 | 5C9P | FUC | 5.14019 |
12 | 6ACS | CIT | 5.60748 |
13 | 1RJW | ETF | 5.60748 |
14 | 4WXJ | GLU | 5.94796 |
15 | 4FK7 | P34 | 6.11354 |
16 | 2AOT | SAH | 6.16438 |
17 | 4PYA | 2X3 | 6.21118 |
18 | 3B6R | CRN | 6.29921 |
19 | 4RDN | 6MD | 6.58683 |
20 | 3EGI | ADP | 6.79612 |
21 | 5X13 | HC4 | 7.44681 |
22 | 2AJH | MET | 7.47664 |
23 | 2RC8 | DSN | 7.48299 |
24 | 5BSH | PRO | 7.94224 |
25 | 2VO4 | 4NM | 8.21918 |
26 | 1YZG | GDP | 8.37989 |
27 | 3AB4 | LYS | 8.42697 |
28 | 3N5C | GDP | 8.64198 |
29 | 2RCA | GLY | 8.8785 |
30 | 4OVZ | P85 | 9.17722 |
31 | 4OW0 | S88 | 9.17722 |
32 | 1HSL | HIS | 9.2437 |
33 | 3N29 | GOL | 9.34579 |
34 | 1G8K | MGD | 10.5263 |
35 | 4IF4 | BEF | 10.5769 |
36 | 3QH2 | 3NM | 10.8597 |
37 | 3FGZ | BEF | 10.9375 |
38 | 1L5Y | BEF | 10.9677 |
39 | 5AB1 | BCD TA5 HP6 MAN | 12.1495 |
40 | 5CIC | 51R | 12.963 |
41 | 2V3V | MGD | 13.278 |
42 | 1MFI | FHC | 14.0351 |
43 | 3BU1 | HSM | 14.1892 |
44 | 2E7Z | MGD | 14.3054 |
45 | 5Y4R | C2E | 14.4828 |
46 | 1VKF | CIT | 15.4255 |
47 | 3ML1 | MGD | 15.4613 |
48 | 1LNX | URI | 16.0494 |
49 | 1DMR | PGD | 16.2819 |
50 | 1DCP | HBI | 16.3462 |
51 | 2IV2 | 2MD | 16.3636 |
52 | 2IV2 | MGD | 16.3636 |
53 | 1H0H | 2MD | 20.5607 |
54 | 1H0H | MGD | 20.5607 |
55 | 1TMO | 2MD | 24.9698 |
56 | 1EU1 | MGD | 25.7009 |
57 | 1KQF | MGD | 29.932 |
58 | 6CZ7 | MGD | 35.8974 |
59 | 2NYA | MGD | 38.8889 |
60 | 1O9U | ADZ | 38.8889 |
61 | 2VPY | MGD | 42.5641 |
This union binding pocket(no: 2) in the query (biounit: 2ivf.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1KPG | SAH | 2.78746 |
2 | 3JQ7 | DX2 | 2.80374 |
3 | 1KPH | SAH | 2.80374 |
4 | 2FMD | MAN MAN | 2.91667 |
5 | 1PL6 | NAD | 3.27103 |
6 | 5WP5 | SAH | 3.40909 |
7 | 6D6Y | SAH | 3.40909 |
8 | 3VC1 | SAH | 3.52564 |
9 | 5N53 | 8NB | 3.58974 |
10 | 1SQS | TLA | 3.71901 |
11 | 4CNK | MEU | 3.73832 |
12 | 5OJ7 | AR6 | 3.84615 |
13 | 1DJL | NAP | 3.86473 |
14 | 2Q28 | ADP | 4.20561 |
15 | 1T9D | PYD | 4.20561 |
16 | 5KVA | SAM | 4.20561 |
17 | 1D4O | NAP | 4.34783 |
18 | 4BTV | RB3 | 4.36047 |
19 | 3KVY | URA | 4.6729 |
20 | 3DRW | AMP | 4.6729 |
21 | 4IWN | GEK | 4.6729 |
22 | 4PNE | SAH | 4.6729 |
23 | 1L3I | SAH | 4.6875 |
24 | 2GMM | MAN MAN | 4.7619 |
25 | 1UKG | MMA | 4.7619 |
26 | 3G89 | SAM | 4.81928 |
27 | 2BD0 | BIO | 4.91803 |
28 | 2XVM | SAH | 5.02513 |
29 | 5MGZ | SAH | 5.08475 |
30 | 5CLO | NS8 | 5.08475 |
31 | 5LA1 | XYP | 5.09165 |
32 | 2J0W | ASP | 5.11364 |
33 | 1XDS | SAM | 5.11364 |
34 | 3QPB | URA | 5.14019 |
35 | 5AHO | TLA | 5.14019 |
36 | 3GWZ | SAH | 5.14905 |
37 | 3GXO | SAH | 5.14905 |
38 | 1M2K | APR | 5.22088 |
39 | 3GFB | NAD | 5.42857 |
40 | 5XLS | URA | 5.51724 |
41 | 3VSE | SAH | 5.52764 |
42 | 1T3D | CYS | 5.53633 |
43 | 2VT3 | ATP | 5.5814 |
44 | 2JFQ | DGL | 5.59441 |
45 | 1RJW | ETF | 5.60748 |
46 | 5W7K | SAH | 5.60748 |
47 | 5XNC | MTA | 5.60748 |
48 | 2FK8 | SAM | 5.60748 |
49 | 3OFK | SAH | 5.60748 |
50 | 4AZW | SAM | 5.60748 |
51 | 6ECT | SAM | 5.60748 |
52 | 3GRU | AMP | 5.76271 |
53 | 4D79 | ATP | 5.7971 |
54 | 5WS9 | AMP | 5.96591 |
55 | 4KRI | SAH | 6.00462 |
56 | 5F8F | SFG | 6.07477 |
57 | 5DNK | SAH | 6.07477 |
58 | 5GM1 | SAH | 6.07477 |
59 | 1T5C | ADP | 6.07477 |
60 | 4TQK | NAG | 6.07477 |
61 | 5M58 | SAH | 6.08696 |
62 | 5W7M | SAH | 6.08974 |
63 | 3DUV | KDO | 6.10687 |
64 | 2AOT | SAH | 6.16438 |
65 | 5KOK | SAH | 6.54206 |
66 | 4JCA | CIT | 6.58683 |
67 | 6F7X | MFU | 6.66667 |
68 | 3EGI | ADP | 6.79612 |
69 | 3TKY | SAH | 6.81818 |
70 | 3UEC | ALA ARG TPO LYS | 6.84932 |
71 | 2JDU | MFU | 6.95652 |
72 | 1L1E | SAH | 6.96864 |
73 | 5E9W | SAH | 7.05128 |
74 | 3ZG6 | APR | 7.09459 |
75 | 1LSS | NAD | 7.14286 |
76 | 3U31 | NAD | 7.24138 |
77 | 5JGL | SAM | 7.26644 |
78 | 4OR7 | 25U | 7.27273 |
79 | 2W9S | TOP | 7.45342 |
80 | 2JHP | SAH | 7.47664 |
81 | 2EG5 | SAH | 7.52688 |
82 | 5BSH | PRO | 7.94224 |
83 | 5BW4 | SAM | 7.94393 |
84 | 4OBW | SAM | 8.17121 |
85 | 3LST | SAH | 8.33333 |
86 | 4KIB | SAH | 8.40336 |
87 | 4G05 | JZ3 | 8.41121 |
88 | 6ECW | SAH | 8.41121 |
89 | 6ECU | SAH | 8.41121 |
90 | 4CSD | MFU | 8.45588 |
91 | 1XTP | SAI | 8.66142 |
92 | 3BXO | SAM | 8.78661 |
93 | 4X1Z | FUC GAL NDG | 8.8785 |
94 | 1OBB | NAD | 8.8785 |
95 | 1CZA | G6P | 9.34579 |
96 | 4RDL | FUC GAL NDG FUC | 9.41558 |
97 | 4JWH | SAH | 9.58466 |
98 | 3F5A | SIA GAL NAG | 9.7561 |
99 | 3H2B | SAH | 9.85222 |
100 | 1JHG | TRP | 9.90099 |
101 | 4KXQ | APR | 10 |
102 | 3T7S | SAM | 10.0746 |
103 | 1MJT | ITU | 10.2804 |
104 | 4A59 | AMP | 10.2804 |
105 | 6FLZ | MMA | 10.4167 |
106 | 1G8K | MGD | 10.5263 |
107 | 4IF4 | BEF | 10.5769 |
108 | 3FGZ | BEF | 10.9375 |
109 | 1L5Y | BEF | 10.9677 |
110 | 5ZI9 | FLC | 11.6822 |
111 | 4RDH | AMP | 11.6822 |
112 | 4RDI | ATP | 11.6822 |
113 | 4CQM | NAP | 11.6822 |
114 | 6A4R | ASP | 11.6981 |
115 | 1UAY | ADN | 11.9835 |
116 | 4II2 | ATP | 12.0482 |
117 | 3FUU | ADN | 12.1771 |
118 | 2P0D | I3P | 12.4031 |
119 | 1KHT | AMP | 12.5 |
120 | 3GD8 | GOL | 12.5561 |
121 | 4QTU | SAM | 12.5926 |
122 | 2NXE | SAM | 12.6168 |
123 | 4DVR | 0LY | 12.7358 |
124 | 2V3V | MGD | 13.278 |
125 | 5E8J | SAH | 13.6364 |
126 | 4JWF | SAH | 13.8249 |
127 | 1VBO | MAN MAN MAN | 14.0187 |
128 | 1VBO | MAN | 14.0187 |
129 | 1MFI | FHC | 14.0351 |
130 | 2E7Z | MGD | 14.3054 |
131 | 2BQP | GLC | 14.5299 |
132 | 1NVT | NAP | 14.6341 |
133 | 5MPT | SAH | 15.4206 |
134 | 3ML1 | MGD | 15.4613 |
135 | 3ZZL | TRP | 15.7143 |
136 | 4DMG | SAM | 15.8879 |
137 | 1KYQ | NAD | 16.0584 |
138 | 1DMR | PGD | 16.2819 |
139 | 2IV2 | MGD | 16.3636 |
140 | 2IV2 | 2MD | 16.3636 |
141 | 1LES | GLC FRU | 17.1271 |
142 | 3ZW0 | FUC | 17.2414 |
143 | 6GKV | SAH | 17.2897 |
144 | 2OOR | TXP | 17.8161 |
145 | 4YJK | URA | 17.8571 |
146 | 5NNT | DPV | 18.9189 |
147 | 1MVQ | MMA | 19.9153 |
148 | 1H0H | MGD | 20.5607 |
149 | 1H0H | 2MD | 20.5607 |
150 | 5ABX | MGP | 21.9512 |
151 | 6F5Z | SAH | 24.5902 |
152 | 1TMO | 2MD | 24.9698 |
153 | 1OFS | SUC | 25 |
154 | 1EU1 | MGD | 25.7009 |
155 | 4AKB | GAL | 28.5714 |
156 | 1KQF | MGD | 29.932 |
157 | 1JAC | AMG | 30 |
158 | 6CZ7 | MGD | 35.8974 |
159 | 2NYA | MGD | 38.8889 |
160 | 2FKA | BEF | 40 |
161 | 1UGY | GLA BGC | 40 |
162 | 2VPY | MGD | 42.5641 |