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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 4P5D | Ki = 1.5 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
2 | 4KXM | Ki = 3.3 uM | 6IA | C15 H24 N5 O7 P | CC(C)CCNc1.... |
3 | 4KXL | Ki = 1.2 uM | 6C6 | C15 H22 N5 O7 P | c1nc(c2c(n.... |
4 | 4KXN | Ki = 1.8 uM | 6K6 | C15 H18 N5 O8 P | c1cc(oc1)C.... |
5 | 4P5E | Ki = 2.8 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 4P5D | Ki = 1.5 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
2 | 4KXM | Ki = 3.3 uM | 6IA | C15 H24 N5 O7 P | CC(C)CCNc1.... |
3 | 4KXL | Ki = 1.2 uM | 6C6 | C15 H22 N5 O7 P | c1nc(c2c(n.... |
4 | 4KXN | Ki = 1.8 uM | 6K6 | C15 H18 N5 O8 P | c1cc(oc1)C.... |
5 | 4P5E | Ki = 2.8 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6IA | 1 | 1 |
2 | 6K6 | 0.666667 | 0.896104 |
3 | 6C6 | 0.643678 | 0.875 |
4 | 2SA | 0.622222 | 0.851852 |
5 | AMP | 0.578313 | 0.858974 |
6 | A | 0.578313 | 0.858974 |
7 | IMO | 0.55814 | 0.822785 |
8 | 6MD | 0.518519 | 0.759494 |
9 | PGS | 0.51087 | 0.767442 |
10 | ABM | 0.505618 | 0.860759 |
11 | ADP | 0.48913 | 0.8375 |
12 | A2D | 0.488889 | 0.814815 |
13 | PRX | 0.484211 | 0.8625 |
14 | 5AL | 0.479592 | 0.82716 |
15 | M33 | 0.478723 | 0.82716 |
16 | ITT | 0.478723 | 0.8125 |
17 | AU1 | 0.478723 | 0.817073 |
18 | A12 | 0.478261 | 0.829268 |
19 | 71V | 0.478261 | 0.788235 |
20 | BA3 | 0.478261 | 0.814815 |
21 | AP2 | 0.478261 | 0.829268 |
22 | 7RP | 0.477778 | 0.844156 |
23 | HEJ | 0.473684 | 0.8375 |
24 | 50T | 0.473684 | 0.82716 |
25 | ATP | 0.473684 | 0.8375 |
26 | B4P | 0.473118 | 0.814815 |
27 | AP5 | 0.473118 | 0.814815 |
28 | 9ZD | 0.470588 | 0.831325 |
29 | 25A | 0.470588 | 0.8375 |
30 | 9ZA | 0.470588 | 0.831325 |
31 | AQP | 0.46875 | 0.8375 |
32 | APC | 0.46875 | 0.829268 |
33 | 5FA | 0.46875 | 0.8375 |
34 | AN2 | 0.468085 | 0.82716 |
35 | AT4 | 0.468085 | 0.807229 |
36 | SRA | 0.466667 | 0.817073 |
37 | AIR | 0.464286 | 0.797468 |
38 | ADX | 0.463158 | 0.741573 |
39 | CA0 | 0.463158 | 0.795181 |
40 | AHX | 0.461538 | 0.821429 |
41 | N6P | 0.461538 | 0.833333 |
42 | XAH | 0.458716 | 0.835294 |
43 | ACP | 0.458333 | 0.839506 |
44 | 5SV | 0.456311 | 0.843373 |
45 | 8QN | 0.456311 | 0.82716 |
46 | AMZ | 0.454545 | 0.768293 |
47 | ANP | 0.454545 | 0.817073 |
48 | TAT | 0.454545 | 0.807229 |
49 | T99 | 0.454545 | 0.807229 |
50 | ACQ | 0.454545 | 0.839506 |
51 | AR6 | 0.453608 | 0.814815 |
52 | APR | 0.453608 | 0.814815 |
53 | 4AD | 0.451923 | 0.819277 |
54 | SAP | 0.44898 | 0.797619 |
55 | AGS | 0.44898 | 0.797619 |
56 | ADV | 0.44898 | 0.807229 |
57 | AD9 | 0.44898 | 0.817073 |
58 | RBY | 0.44898 | 0.807229 |
59 | TXA | 0.448598 | 0.807229 |
60 | PTJ | 0.448598 | 0.865854 |
61 | ARU | 0.447619 | 0.833333 |
62 | YLP | 0.447368 | 0.837209 |
63 | DAL AMP | 0.446602 | 0.804878 |
64 | NIA | 0.444444 | 0.715909 |
65 | 6YZ | 0.441176 | 0.839506 |
66 | SRP | 0.441176 | 0.851852 |
67 | AAM | 0.44086 | 0.858974 |
68 | RMB | 0.44086 | 0.818182 |
69 | LAD | 0.439252 | 0.855422 |
70 | C2R | 0.438202 | 0.759036 |
71 | AMO | 0.438095 | 0.829268 |
72 | PAJ | 0.438095 | 0.855422 |
73 | TT8 | 0.436893 | 0.72619 |
74 | YLB | 0.435897 | 0.858824 |
75 | 1ZZ | 0.435185 | 0.813953 |
76 | ME8 | 0.435185 | 0.857143 |
77 | FYA | 0.435185 | 0.85 |
78 | NB8 | 0.435185 | 0.8 |
79 | RBZ | 0.434783 | 0.820513 |
80 | ADP PO3 | 0.434343 | 0.8125 |
81 | ARG AMP | 0.433628 | 0.825581 |
82 | A22 | 0.432692 | 0.82716 |
83 | MAP | 0.432692 | 0.797619 |
84 | ATF | 0.431373 | 0.807229 |
85 | 5AS | 0.427083 | 0.73913 |
86 | WAQ | 0.425926 | 0.809524 |
87 | GAP | 0.425743 | 0.817073 |
88 | JLN | 0.425532 | 0.768293 |
89 | FAI | 0.425532 | 0.768293 |
90 | P2P | 0.425532 | 0.822785 |
91 | 7RA | 0.425532 | 0.848101 |
92 | ADQ | 0.424528 | 0.817073 |
93 | A1R | 0.424528 | 0.853659 |
94 | LMS | 0.423913 | 0.722222 |
95 | 1RB | 0.423913 | 0.805195 |
96 | YLC | 0.423729 | 0.857143 |
97 | 3US | 0.422764 | 0.793103 |
98 | SON | 0.42268 | 0.829268 |
99 | 48N | 0.422414 | 0.8 |
100 | AYB | 0.421488 | 0.848837 |
101 | 7MD | 0.421053 | 0.835294 |
102 | DLL | 0.420561 | 0.804878 |
103 | TSB | 0.419048 | 0.717391 |
104 | MTP | 0.418605 | 0.690476 |
105 | MYR AMP | 0.418182 | 0.793103 |
106 | A5A | 0.417476 | 0.725275 |
107 | ADP ALF | 0.417476 | 0.755814 |
108 | ALF ADP | 0.417476 | 0.755814 |
109 | IOT | 0.416667 | 0.827586 |
110 | OAD | 0.416667 | 0.817073 |
111 | PMO | 0.416667 | 0.797468 |
112 | 9X8 | 0.416667 | 0.797619 |
113 | LEU LMS | 0.416667 | 0.771739 |
114 | OOB | 0.415094 | 0.804878 |
115 | VO4 ADP | 0.413462 | 0.804878 |
116 | ADP VO4 | 0.413462 | 0.804878 |
117 | AP0 | 0.411765 | 0.8 |
118 | 7MC | 0.411765 | 0.837209 |
119 | A3R | 0.411215 | 0.853659 |
120 | LSS | 0.411215 | 0.78022 |
121 | B5M | 0.410714 | 0.797619 |
122 | VMS | 0.409524 | 0.747253 |
123 | 54H | 0.409524 | 0.747253 |
124 | 52H | 0.409524 | 0.73913 |
125 | 3OD | 0.409091 | 0.817073 |
126 | BIS | 0.409091 | 0.809524 |
127 | 1PR | 0.409091 | 0.776471 |
128 | GA7 | 0.408696 | 0.875 |
129 | NVA LMS | 0.407407 | 0.752688 |
130 | 00A | 0.407407 | 0.767442 |
131 | 36A | 0.40678 | 0.704545 |
132 | F2R | 0.406504 | 0.837209 |
133 | 25L | 0.405405 | 0.82716 |
134 | 5GP | 0.40404 | 0.785714 |
135 | G | 0.40404 | 0.785714 |
136 | ADP BMA | 0.40367 | 0.795181 |
137 | 3UK | 0.40367 | 0.795181 |
138 | 3DH | 0.402174 | 0.728395 |
139 | A3P | 0.402062 | 0.835443 |
140 | A2P | 0.402062 | 0.822785 |
141 | 9SN | 0.401786 | 0.758621 |
142 | YLA | 0.401639 | 0.816092 |
143 | A A | 0.4 | 0.8375 |
144 | PR8 | 0.4 | 0.845238 |
145 | B5V | 0.4 | 0.785714 |
This union binding pocket(no: 1) in the query (biounit: 4kxl.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4RJD | TFP | None |
2 | 2VWA | PTY | None |
3 | 1S2D | ADE | None |
4 | 4ZGM | 32M | None |
5 | 1KJ1 | MAN | None |
6 | 3RV5 | DXC | None |
7 | 5N8V | KZZ | None |
8 | 1WUW | TSU | None |
9 | 4NTO | 1PW | 1.31579 |
10 | 3L8G | GMB | 1.31579 |
11 | 6EK3 | OUL | 1.35747 |
12 | 2CIX | CEJ | 1.97368 |
13 | 3GLC | R5P | 1.97368 |
14 | 5OSW | DIU | 1.97368 |
15 | 1U6R | IOM | 2.63158 |
16 | 4I90 | CHT | 2.63158 |
17 | 4OB6 | S2T | 2.63158 |
18 | 3K0T | BGC | 2.7972 |
19 | 5YRL | GLC GLC | 2.8169 |
20 | 5YRJ | BGC GLC | 2.8169 |
21 | 5YRM | BGC GLC | 2.8169 |
22 | 5DQY | BEZ | 2.85714 |
23 | 1NU4 | MLA | 3.09278 |
24 | 4JEJ | 1GP | 3.28947 |
25 | 3O7J | 2AL | 3.28947 |
26 | 5YSI | NCA | 3.28947 |
27 | 1C9K | 5GP | 3.28947 |
28 | 1M2Z | BOG | 3.94737 |
29 | 5UGW | GSH | 3.94737 |
30 | 5XLA | SIA | 3.94737 |
31 | 3KC1 | 2T6 | 3.94737 |
32 | 1GXS | BEZ | 3.94737 |
33 | 5A3Y | VAL LYS | 3.94737 |
34 | 3HQP | FDP | 3.94737 |
35 | 5CXX | FER | 3.94737 |
36 | 2B56 | U5P | 3.94737 |
37 | 2BVE | PH5 | 4.20168 |
38 | 6F9G | PUT | 4.36137 |
39 | 4JLS | 3ZE | 4.60526 |
40 | 6E1Q | CFA | 4.60526 |
41 | 2PNC | CLU | 4.60526 |
42 | 2Q37 | 3AL | 4.60526 |
43 | 2EB5 | OXL | 4.60526 |
44 | 1BO4 | COA | 4.60526 |
45 | 4CUB | GAL NAG | 4.60526 |
46 | 3EXS | 5RP | 4.60526 |
47 | 5VLQ | ANP | 4.60526 |
48 | 4SGA | ACE PRO ALA PRO PHE | 4.60526 |
49 | 4G86 | BNT | 5.26316 |
50 | 3B9Z | CO2 | 5.26316 |
51 | 5TED | SKM | 5.26316 |
52 | 3E70 | GDP | 5.26316 |
53 | 5N26 | CPT | 5.26316 |
54 | 3GD8 | GOL | 5.26316 |
55 | 1SW0 | PGA | 5.26316 |
56 | 5LB3 | ADP | 5.26316 |
57 | 3ITJ | CIT | 5.26316 |
58 | 2IYG | FMN | 5.64516 |
59 | 4OHB | 5HM | 5.92105 |
60 | 3E7S | AT2 | 5.92105 |
61 | 3QH2 | 3NM | 5.92105 |
62 | 5J32 | IPM | 5.92105 |
63 | 1CT9 | GLN | 5.92105 |
64 | 1L7N | ALF | 5.92105 |
65 | 5YJS | SAL | 5.92105 |
66 | 5H3A | D16 | 5.92105 |
67 | 3LN9 | FLC | 6.47482 |
68 | 5LX9 | OLB | 6.57895 |
69 | 4ZQX | ATP | 6.57895 |
70 | 4GYS | MLI | 6.57895 |
71 | 5WBF | LAC | 6.57895 |
72 | 5AWV | GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN | 6.57895 |
73 | 4A8T | PAO | 6.57895 |
74 | 5TQZ | GLC | 6.66667 |
75 | 3KO0 | TFP | 6.93069 |
76 | 4MZU | TDR | 7.23684 |
77 | 5W6Y | TRP | 7.23684 |
78 | 3R75 | PYR | 7.23684 |
79 | 1T36 | ORN | 7.23684 |
80 | 5W7B | MYR | 7.80142 |
81 | 1WLJ | U5P | 7.89474 |
82 | 4MRP | GSH | 7.89474 |
83 | 1VCO | GLN | 7.89474 |
84 | 3QX9 | ATP | 7.97101 |
85 | 3N7S | 3N7 | 8.33333 |
86 | 1GVF | PGH | 8.55263 |
87 | 5ENZ | UDP | 8.55263 |
88 | 3RZ3 | U94 | 9.21053 |
89 | 2Y69 | CHD | 9.27835 |
90 | 2UW1 | GVM | 9.86842 |
91 | 2GN2 | C5P | 9.86842 |
92 | 1ZGS | XMM | 9.86842 |
93 | 1TRD | PGH | 9.86842 |
94 | 5URY | PAM | 10.274 |
95 | 3TL1 | JRO | 10.5263 |
96 | 5NCB | JZ3 | 10.5263 |
97 | 5Z84 | CHD | 10.5882 |
98 | 5ZCO | CHD | 10.5882 |
99 | 5W97 | CHD | 10.5882 |
100 | 3O01 | DXC | 11.1842 |
101 | 4WBD | CIT | 11.1842 |
102 | 2GBB | CIT | 11.1842 |
103 | 4RF7 | ARG | 11.1842 |
104 | 2YVE | MBT | 11.3514 |
105 | 5C1M | CLR | 11.8421 |
106 | 1PVC | ILE SER GLU VAL | 12.5 |
107 | 5M36 | 9SZ | 12.5 |
108 | 6F5W | KG1 | 12.5 |
109 | 1MJT | ITU | 13.1579 |
110 | 4JEM | C5P | 13.8158 |
111 | 2Q8M | AMP | 13.8158 |
112 | 5AJU | RP5 | 14.4737 |
113 | 4HE2 | AMP | 14.4737 |
114 | 1W0H | AMP | 14.4737 |
115 | 2FJK | 13P | 14.4737 |
116 | 4BI7 | PGA | 15.1316 |
117 | 1ZED | PNP | 17.1053 |
118 | 2F64 | 12Q | 17.7632 |
119 | 4XDA | ADP | 19.0789 |
120 | 4OGQ | 2WD | 19.7368 |
121 | 6H45 | QEI | 19.7368 |
122 | 1F8Y | 5MD | 39.4904 |
This union binding pocket(no: 3) in the query (biounit: 4kxl.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2HPL | ASP ASP LEU TYR GLY | None |
2 | 1XZ3 | ICF | None |
3 | 3CTL | S6P | None |
4 | 3M0J | OAF | 1.97368 |
5 | 1SQL | GUN | 2.05479 |
6 | 3AKI | AH8 | 3.28947 |
7 | 1QDS | PGA | 3.94737 |
8 | 3MBI | HSX | 3.94737 |
9 | 4Z28 | BTN | 4.47761 |
10 | 2YP9 | SIA CMO | 5.26316 |
11 | 1C3X | 8IG | 5.26316 |
12 | 1LYX | PGA | 5.92105 |
13 | 4B9E | FAH | 5.92105 |
14 | 2JCB | ADP | 6.57895 |
15 | 5NGZ | 2BG | 6.59898 |
16 | 4BHL | ARG | 7.89474 |
17 | 1V1A | ADP | 9.21053 |
18 | 2O66 | FLC | 17.037 |
This union binding pocket(no: 4) in the query (biounit: 4kxl.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |