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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 1331 families. | |||||
1 | 5H7K | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5H7K | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDP | 1 | 1 |
2 | GTP | 0.909091 | 1 |
3 | GP3 | 0.881579 | 0.973684 |
4 | GNH | 0.858974 | 0.986667 |
5 | GNP | 0.839506 | 0.973684 |
6 | 9GM | 0.839506 | 0.973684 |
7 | G | 0.828947 | 0.986486 |
8 | 5GP | 0.828947 | 0.986486 |
9 | G1R | 0.82716 | 0.986667 |
10 | GCP | 0.82716 | 0.973684 |
11 | GSP | 0.817073 | 0.948718 |
12 | GAV | 0.797619 | 0.961039 |
13 | GMV | 0.792683 | 0.973684 |
14 | G2P | 0.77381 | 0.961039 |
15 | G2R | 0.770115 | 0.961039 |
16 | GP2 | 0.756098 | 0.961039 |
17 | GDC | 0.747253 | 0.961039 |
18 | GDD | 0.747253 | 0.961039 |
19 | GKE | 0.747253 | 0.961039 |
20 | GPG | 0.741573 | 0.961039 |
21 | GDP BEF | 0.741176 | 0.935065 |
22 | GTP MG | 0.732558 | 0.96 |
23 | G3D | 0.732558 | 0.986486 |
24 | ALF 5GP | 0.729412 | 0.888889 |
25 | Y9Z | 0.728261 | 0.902439 |
26 | G5P | 0.723404 | 0.973684 |
27 | GFB | 0.72043 | 0.961039 |
28 | GTG | 0.72043 | 0.936709 |
29 | GDR | 0.72043 | 0.961039 |
30 | G4P | 0.715909 | 0.986486 |
31 | 6CK | 0.712766 | 0.936709 |
32 | G3A | 0.712766 | 0.973684 |
33 | GDP ALF | 0.7 | 0.888889 |
34 | GDP AF3 | 0.7 | 0.888889 |
35 | YGP | 0.698925 | 0.901235 |
36 | GKD | 0.697917 | 0.961039 |
37 | JB2 | 0.697917 | 0.961039 |
38 | GDX | 0.690722 | 0.973684 |
39 | GPD | 0.690722 | 0.925 |
40 | GMP | 0.684211 | 0.88 |
41 | 0O2 | 0.666667 | 0.986486 |
42 | JB3 | 0.656863 | 0.948718 |
43 | NGD | 0.650485 | 0.961039 |
44 | GDP 7MG | 0.636364 | 0.911392 |
45 | DGI | 0.636364 | 0.923077 |
46 | U2G | 0.634615 | 0.936709 |
47 | GPX | 0.634409 | 0.946667 |
48 | IDP | 0.632184 | 0.972973 |
49 | 2MD | 0.632075 | 0.891566 |
50 | CAG | 0.62963 | 0.880952 |
51 | KB7 | 0.629214 | 0.82716 |
52 | CG2 | 0.622642 | 0.936709 |
53 | FEG | 0.619048 | 0.879518 |
54 | MGD | 0.614679 | 0.891566 |
55 | ZGP | 0.613208 | 0.869048 |
56 | GH3 | 0.612903 | 0.973333 |
57 | 3GP | 0.611765 | 0.946667 |
58 | MD1 | 0.607143 | 0.891566 |
59 | PGD | 0.59292 | 0.925 |
60 | DGT | 0.591398 | 0.923077 |
61 | BGO | 0.588785 | 0.924051 |
62 | TPG | 0.582609 | 0.840909 |
63 | DBG | 0.582609 | 0.948718 |
64 | KBD | 0.581633 | 0.82716 |
65 | QBQ | 0.576087 | 0.986486 |
66 | 2GP | 0.574713 | 0.96 |
67 | FE9 | 0.570175 | 0.776596 |
68 | KBJ | 0.558824 | 0.797619 |
69 | MGP | 0.553191 | 0.961039 |
70 | G4M | 0.548387 | 0.880952 |
71 | 6G0 | 0.547368 | 0.961039 |
72 | I2C FE2 CMO CMO | 0.543103 | 0.808989 |
73 | G1R G1R | 0.542373 | 0.924051 |
74 | P2G | 0.527473 | 0.883117 |
75 | PGD O | 0.525 | 0.850575 |
76 | ADP | 0.522222 | 0.92 |
77 | R5I | 0.520833 | 0.946667 |
78 | R7I | 0.520833 | 0.946667 |
79 | GGM | 0.517544 | 0.901235 |
80 | DG | 0.516484 | 0.910256 |
81 | DGP | 0.516484 | 0.910256 |
82 | P1G | 0.516129 | 0.871795 |
83 | CZF | 0.515789 | 0.933333 |
84 | G1G | 0.508475 | 0.925 |
85 | IMP | 0.505495 | 0.959459 |
86 | AKW | 0.504425 | 0.890244 |
87 | G C | 0.504348 | 0.9 |
88 | GPC | 0.491525 | 0.879518 |
89 | G7M | 0.483871 | 0.948052 |
90 | 6AD | 0.479592 | 0.841463 |
91 | ATP | 0.473684 | 0.92 |
92 | HEJ | 0.473684 | 0.92 |
93 | G2Q | 0.471154 | 0.961039 |
94 | AQP | 0.46875 | 0.92 |
95 | 5FA | 0.46875 | 0.92 |
96 | GTA | 0.468468 | 0.936709 |
97 | 7DD | 0.468085 | 0.906667 |
98 | SGP | 0.463158 | 0.82716 |
99 | 01G | 0.462963 | 0.902439 |
100 | HFD | 0.459184 | 0.873418 |
101 | JSQ | 0.459184 | 0.873418 |
102 | B4P | 0.457447 | 0.894737 |
103 | AP5 | 0.457447 | 0.894737 |
104 | A2D | 0.456522 | 0.894737 |
105 | 6YZ | 0.455446 | 0.896104 |
106 | ACQ | 0.454545 | 0.896104 |
107 | ANP | 0.454545 | 0.896104 |
108 | 5GP 5GP | 0.454545 | 0.883117 |
109 | AT4 | 0.452632 | 0.884615 |
110 | APC G U | 0.451613 | 0.886076 |
111 | PRT | 0.449541 | 0.959459 |
112 | ITT | 0.447917 | 0.868421 |
113 | BA3 | 0.446809 | 0.894737 |
114 | C2E | 0.444444 | 0.921053 |
115 | 35G | 0.444444 | 0.933333 |
116 | PCG | 0.444444 | 0.933333 |
117 | MGO | 0.441176 | 0.864198 |
118 | AN2 | 0.4375 | 0.907895 |
119 | NO7 | 0.436893 | 0.860759 |
120 | M33 | 0.43299 | 0.883117 |
121 | UCG | 0.429688 | 0.911392 |
122 | ACP | 0.428571 | 0.896104 |
123 | MGQ | 0.424528 | 0.935897 |
124 | APR | 0.424242 | 0.894737 |
125 | 7DT | 0.424242 | 0.906667 |
126 | AR6 | 0.424242 | 0.894737 |
127 | M7G A2M G | 0.422819 | 0.808989 |
128 | 93A | 0.42268 | 0.833333 |
129 | A4P | 0.420168 | 0.869048 |
130 | G8D | 0.42 | 0.875 |
131 | AD9 | 0.42 | 0.896104 |
132 | AGS | 0.42 | 0.873418 |
133 | CA0 | 0.418367 | 0.896104 |
134 | ATF | 0.417476 | 0.884615 |
135 | NYZ | 0.415842 | 0.935897 |
136 | GZ0 | 0.415254 | 0.948718 |
137 | AGO | 0.414634 | 0.888889 |
138 | KG4 | 0.414141 | 0.896104 |
139 | NIA | 0.413043 | 0.82716 |
140 | MGV | 0.412844 | 0.890244 |
141 | TAT | 0.411765 | 0.884615 |
142 | T99 | 0.411765 | 0.884615 |
143 | ADQ | 0.411215 | 0.871795 |
144 | A1R | 0.411215 | 0.839506 |
145 | RGT | 0.410714 | 0.909091 |
146 | CGP | 0.409836 | 0.86747 |
147 | HQG | 0.409524 | 0.907895 |
148 | C1Z | 0.409091 | 0.986486 |
149 | AMP | 0.408602 | 0.893333 |
150 | A | 0.408602 | 0.893333 |
151 | UP5 | 0.40678 | 0.873418 |
152 | C2R | 0.406593 | 0.906667 |
153 | AMZ | 0.406593 | 0.918919 |
154 | JBT | 0.405882 | 0.778947 |
155 | A22 | 0.40566 | 0.907895 |
156 | 25L | 0.405405 | 0.907895 |
157 | ADX | 0.40404 | 0.809524 |
158 | 8OD | 0.401961 | 0.946667 |
159 | 50T | 0.4 | 0.883117 |
160 | 4TC | 0.4 | 0.851852 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP MG | 0.9864 |
2 | GDP MG | 0.9797 |
3 | DAT | 0.9680 |
4 | ALF GDP | 0.9549 |
5 | A12 | 0.9524 |
6 | BEF GDP | 0.9486 |
7 | AU1 | 0.9476 |
8 | CUU | 0.9442 |
9 | SON | 0.9417 |
10 | TYD | 0.9414 |
11 | M7G | 0.9411 |
12 | ADP ALF | 0.9391 |
13 | ADP BEF | 0.9391 |
14 | ADP AF3 | 0.9391 |
15 | BEF ADP | 0.9383 |
16 | GAP | 0.9328 |
17 | O02 | 0.9303 |
18 | G5A | 0.9285 |
19 | AP2 | 0.9265 |
20 | 5AL | 0.9252 |
21 | 8GD | 0.9250 |
22 | M7M | 0.9212 |
23 | AV2 | 0.9211 |
24 | DAL AMP | 0.9209 |
25 | PRX | 0.9194 |
26 | UDP | 0.9193 |
27 | 8LE | 0.9188 |
28 | SRP | 0.9155 |
29 | SAM | 0.9145 |
30 | A5A | 0.9126 |
31 | GJV | 0.9116 |
32 | NWZ | 0.9106 |
33 | CDP | 0.9093 |
34 | MGT | 0.9090 |
35 | YYY | 0.9086 |
36 | 5CA | 0.9069 |
37 | XMP | 0.9066 |
38 | EO7 | 0.9060 |
39 | SSA | 0.9052 |
40 | DSH | 0.9051 |
41 | 71V | 0.9041 |
42 | 2A5 | 0.8973 |
43 | TBD | 0.8937 |
44 | CDP MG | 0.8931 |
45 | SAH | 0.8927 |
46 | IMU | 0.8919 |
47 | 6RE | 0.8917 |
48 | J7C | 0.8916 |
49 | 7D3 | 0.8915 |
50 | 8LH | 0.8914 |
51 | DUD | 0.8888 |
52 | NX8 | 0.8885 |
53 | 6CG | 0.8882 |
54 | ABM | 0.8881 |
55 | 8X1 | 0.8861 |
56 | FMP | 0.8855 |
57 | LMS | 0.8847 |
58 | 8GM | 0.8842 |
59 | DTP | 0.8842 |
60 | D4D | 0.8817 |
61 | C8M | 0.8813 |
62 | EEM | 0.8812 |
63 | SFG | 0.8795 |
64 | 8OP | 0.8780 |
65 | ADP PO3 | 0.8775 |
66 | D5M | 0.8773 |
67 | IRP | 0.8767 |
68 | PAP | 0.8765 |
69 | HDV | 0.8759 |
70 | ATR | 0.8755 |
71 | APC | 0.8746 |
72 | N5O | 0.8734 |
73 | A3N | 0.8728 |
74 | AS | 0.8705 |
75 | ATY | 0.8684 |
76 | 54H | 0.8676 |
77 | TSB | 0.8674 |
78 | ME8 | 0.8672 |
79 | HF7 | 0.8667 |
80 | 6MA | 0.8654 |
81 | SAI | 0.8651 |
82 | DUN | 0.8649 |
83 | LSS | 0.8640 |
84 | 5FU | 0.8638 |
85 | P5A | 0.8634 |
86 | 8QN | 0.8633 |
87 | DZ4 | 0.8609 |
88 | CNU | 0.8603 |
89 | NVA LMS | 0.8600 |
90 | FNU | 0.8593 |
91 | TKW | 0.8580 |
92 | MOD | 0.8567 |
93 | MSP | 0.8549 |
This union binding pocket(no: 1) in the query (biounit: 5h7k.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1YZQ | GNP | 2.35294 |
2 | 2FFQ | GSP | 2.92398 |
3 | 1VG8 | GNP | 3.38164 |
4 | 1VG8 | GNP | 3.38164 |
5 | 1VG8 | GNP | 3.38164 |
6 | 1VG8 | GNP | 3.38164 |
7 | 1SVK | ALF GDP | 3.39943 |
8 | 6MHE | GDP | 3.42857 |
9 | 1Y3A | GDP | 3.64742 |
10 | 1Y3A | GDP | 3.64742 |
11 | 1Y3A | GDP | 3.64742 |
12 | 1Y3A | GDP | 3.64742 |
13 | 1TAD | GDP | 3.7037 |
14 | 1TAD | ALF | 3.7037 |
15 | 1VG1 | GDP | 3.78378 |
16 | 1BH2 | GSP | 3.80952 |
17 | 1O3Y | GTP | 4.21687 |
18 | 1O3Y | GTP | 4.21687 |
19 | 1CS4 | GSP | 4.24528 |
20 | 1ZD9 | GDP | 4.25532 |
21 | 1RE0 | GDP | 4.26829 |
22 | 1ZJ6 | G3D | 4.27807 |
23 | 1ZJ6 | G3D | 4.27807 |
24 | 1ZJ6 | G3D | 4.27807 |
25 | 2A5F | GTP | 4.66321 |
26 | 3AB3 | GDP | 4.87805 |
27 | 3AB3 | GDP | 4.87805 |
28 | 6AU6 | GDP | 5.03979 |
29 | 5Z2M | GTP | 5.07246 |
30 | 1M2O | GNP | 5.28967 |
31 | 1M2O | GNP | 5.28967 |
32 | 1M2O | GNP | 5.28967 |
33 | 1M2O | GNP | 5.28967 |
34 | 2XTZ | GSP | 5.36723 |
35 | 2XTZ | GSP | 5.36723 |
36 | 2XTZ | GSP | 5.36723 |
37 | 1GOT | GDP | 5.47945 |
38 | 3CX8 | GSP | 6.40394 |
39 | 5KDO | GDP | 6.75676 |
40 | 1S9D | GDP | 7.38916 |
41 | 3Q85 | GNP | 7.69231 |
42 | 3Q85 | GNP | 7.69231 |
43 | 6IZW | GSP | 7.88177 |
44 | 3MD0 | GDP | 7.88732 |
45 | 1Z06 | GNP | 7.93651 |
46 | 5M04 | GDP | 8.06045 |
47 | 3T1O | GDP | 8.08081 |
48 | 3T1O | GDP | 8.08081 |
49 | 5GOE | GDP | 8.31234 |
50 | 4DCT | GDP | 8.56423 |
51 | 1Z0A | GDP | 8.62069 |
52 | 1Z0A | GDP | 8.62069 |
53 | 1Z0A | GDP | 8.62069 |
54 | 1Z0A | GDP | 8.62069 |
55 | 1Z0A | GDP | 8.62069 |
56 | 1Z0A | GDP | 8.62069 |
57 | 2GJ8 | ALF GDP | 8.72093 |
58 | 2GJ8 | ALF GDP | 8.72093 |
59 | 1FZQ | GDP | 8.83978 |
60 | 6KX2 | GDP | 9.39227 |
61 | 5BXQ | GDP | 10.1852 |
62 | 5BXQ | GDP | 10.1852 |
63 | 5BXQ | GDP | 10.1852 |
64 | 6G14 | G4P | 10.2041 |
65 | 6G14 | G4P | 10.2041 |
66 | 1KSH | GDP | 10.2151 |
67 | 2ODE | ALF GDP | 10.2857 |
68 | 1PUJ | GNP | 10.6383 |
69 | 3RWO | GDP | 10.8108 |
70 | 3RWO | GDP | 10.8108 |
71 | 2FH5 | GTP | 11.3514 |
72 | 2FH5 | GTP | 11.3514 |
73 | 6A8D | GDP | 11.4583 |
74 | 3T12 | GDP ALF | 12.5 |
75 | 2G77 | GDP | 12.6263 |
76 | 6CRK | GDP | 12.6761 |
77 | 1GP2 | GDP | 12.6761 |
78 | 1YZG | GDP | 13.4078 |
79 | 4V0K | GDP | 13.6095 |
80 | 1R4A | GNP | 13.7255 |
81 | 1R4A | GNP | 13.7255 |
82 | 1R4A | GNP | 13.7255 |
83 | 1MKY | GDP | 13.8539 |
84 | 2OM2 | GDP | 13.8889 |
85 | 5O74 | GDP | 13.8889 |
86 | 2OM2 | GDP | 13.8889 |
87 | 5O74 | GDP | 13.8889 |
88 | 5FG3 | GDP | 15.1133 |
89 | 1F6B | GDP | 15.1515 |
90 | 1F6B | GDP | 15.1515 |
91 | 1FQK | GDP | 15.6463 |
92 | 1FQK | GDP | 15.6463 |
93 | 1YRB | GDP | 16.4122 |
94 | 1FQJ | GDP | 16.6667 |
95 | 4M9Q | GNP | 16.7401 |
96 | 4M9Q | GNP | 16.7401 |
97 | 4M9Q | GNP | 16.7401 |
98 | 1D2E | GDP | 18.3879 |
99 | 1D2E | GDP | 18.3879 |
100 | 1D2E | GDP | 18.3879 |
101 | 1D2E | GDP | 18.3879 |
102 | 4NCN | GTP | 18.3879 |
103 | 4NCN | GTP | 18.3879 |
104 | 2WJG | GDP | 18.617 |
105 | 2WJG | GDP | 18.617 |
106 | 1G7S | GDP | 18.6398 |
107 | 4RD0 | GDP | 18.6398 |
108 | 1KK1 | GNP | 18.6398 |
109 | 2QN6 | GDP | 18.8917 |
110 | 3WXM | GTP | 19.6809 |
111 | 3WXM | GTP | 19.6809 |
112 | 3WXM | GTP | 19.6809 |
113 | 3WXM | GTP | 19.6809 |
114 | 1D8T | GDP | 20.8651 |
115 | 2BVN | GNP | 20.8651 |
116 | 2BVN | GNP | 20.8651 |
117 | 1D8T | GDP | 20.8651 |
118 | 1WF3 | GNP | 21.2625 |
119 | 1SKQ | GDP | 22.1662 |
120 | 1SKQ | GDP | 22.1662 |
121 | 2WJH | GDP | 22.8916 |
122 | 6MHF | GDP | 25.8065 |
123 | 5O2T | GSP | 26.6272 |
124 | 1CLU | DBG | 27.7108 |
125 | 2HT6 | GDP | 31.6092 |
126 | 2HT6 | GDP | 31.6092 |
127 | 2C77 | GNP | 34.7607 |
128 | 2C78 | GNP | 35.0126 |
129 | 2HCJ | GDP | 35.1351 |
130 | 4B47 | GDP | 37.4656 |
131 | 5YT0 | GDP | 38.0952 |