Receptor
PDB id Resolution Class Description Source Keywords
2QVU 1.5 Å EC: 3.1.3.11 PORCINE LIVER FRUCTOSE-1,6-BISPHOSPHATASE COCRYSTALLIZED WIT P2 AND MG2+, I(T)-STATE SUS SCROFA HOMOTETRAMER; SUGAR PHOSPHATASE FOLD HYDROLASE
Ref.: STRUCTURES OF MAMMALIAN AND BACTERIAL FRUCTOSE-1,6-BISPHOSPHATASE REVEAL THE BASIS FOR SY IN AMP/FRUCTOSE 2,6-BISPHOSPHATE INHIBITION J.BIOL.CHEM. V. 282 36121 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FDP A:338;
B:339;
Valid;
Valid;
none;
none;
Kd = 0.36 uM
340.116 C6 H14 O12 P2 C([C@...
MG A:340;
A:341;
B:344;
B:345;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:342;
B:343;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KC1 2.25 Å EC: 3.1.3.11 CRYSTAL STRUCTURE OF HUMAN LIVER FBPASE IN COMPLEX WITH TRICYCLIC INHIBITOR 19A HOMO SAPIENS HYDROLASE ALLOSTERIC ENZYME CARBOHYDRATE METABOLISM DISEASE MUTATION GLUCONEOGENESIS MAGNESIUM METAL- BINDING POLYMORPHISM
Ref.: STRUCTURE-BASED DRUG DESIGN OF TRICYCLIC 8H-INDENO[1,2-D][1,3]THIAZOLES AS POTENT FBPASE INHIBITORS. BIOORG.MED.CHEM.LETT. V. 20 1004 2010
Members (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.6 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
42 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
43 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
44 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.6 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
42 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
43 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
44 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
45 2VT5 - ROK ROK n/a n/a
46 2WBB ic50 = 0.92 uM RO3 C11 H10 Br N3 O3 S2 Cc1ccc(cc1....
47 2Y5L ic50 = 0.33 uM RO8 C10 H7 Br Cl N3 O3 S2 c1cc(cc(c1....
48 2JJK ic50 = 9 nM R15 C21 H26 Cl2 N4 O6 S2 c1cc(cc(c1....
49 2WBD Kd = 0.23 uM RO5 C12 H12 Br N3 O3 S2 CCc1cccc(c....
50 4MJO Kd = 0.6 uM 2C1 C16 H20 Br N5 O5 S2 Cc1cc(sc1C....
51 2Y5K ic50 = 0.22 uM YCU C17 H23 N5 O6 S2 Cc1cc(sc1C....
52 5ET6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
53 4HE1 - F6P C6 H13 O9 P C([C@@H]1[....
54 4HE2 ic50 = 3.65 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.6 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
42 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
43 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
44 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
45 2VT5 - ROK ROK n/a n/a
46 2WBB ic50 = 0.92 uM RO3 C11 H10 Br N3 O3 S2 Cc1ccc(cc1....
47 2Y5L ic50 = 0.33 uM RO8 C10 H7 Br Cl N3 O3 S2 c1cc(cc(c1....
48 2JJK ic50 = 9 nM R15 C21 H26 Cl2 N4 O6 S2 c1cc(cc(c1....
49 2WBD Kd = 0.23 uM RO5 C12 H12 Br N3 O3 S2 CCc1cccc(c....
50 4MJO Kd = 0.6 uM 2C1 C16 H20 Br N5 O5 S2 Cc1cc(sc1C....
51 2Y5K ic50 = 0.22 uM YCU C17 H23 N5 O6 S2 Cc1cc(sc1C....
52 5ET6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
53 4HE1 - F6P C6 H13 O9 P C([C@@H]1[....
54 4HE2 ic50 = 3.65 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
55 2QVR - FDP C6 H14 O12 P2 C([C@@H]1[....
56 2OWZ - F6P C6 H13 O9 P C([C@@H]1[....
57 2OX3 - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FDP; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 FDP 1 1
2 TA6 0.55102 0.954545
3 F6P 0.55102 0.954545
4 SUP 0.516129 0.913043
5 AFP 0.462963 0.954545
6 FBP 0.462963 0.954545
7 F1X 0.407407 0.954545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found: 151
This union binding pocket(no: 1) in the query (biounit: 3kc1.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2A3I C0R 0.003919 0.401 None
2 2CBZ ATP 0.0009603 0.48713 1.26582
3 5G41 AP5 0.02014 0.40802 1.34529
4 5UQW GDP 0.009528 0.40124 1.5873
5 3R96 ACO 0.005885 0.42635 1.59574
6 3R96 AMP 0.005885 0.42635 1.59574
7 3G5K BB2 0.007446 0.40981 1.63934
8 2RCN GDP 0.006533 0.42081 1.78042
9 5IXJ THR 0.01358 0.40271 1.78042
10 4E2J MOF 0.000829 0.41807 2
11 2Q1H AS4 0.005801 0.40367 2
12 3GN8 DEX 0.001877 0.41868 2.00803
13 2ZCQ B65 0.02806 0.4003 2.04778
14 3H4S ADP 0.004147 0.44846 2.07715
15 4IEE AGS 0.002807 0.44358 2.07715
16 2J5V PCA 0.02435 0.41714 2.07715
17 3QDK QDK 0.0148 0.41581 2.07715
18 3EC1 GDP 0.01666 0.40521 2.07715
19 1Q1Y BB2 0.01094 0.4021 2.09424
20 3E70 GDP 0.008883 0.4102 2.13415
21 5CHR 4NC 0.01863 0.4094 2.18978
22 4KZV TRE 0.02207 0.40058 2.23881
23 3LRE ADP 0.003565 0.45535 2.37389
24 1J78 VDY 0.01268 0.41111 2.37389
25 1J78 OLA 0.007992 0.4047 2.37389
26 1VAY AZA 0.02666 0.40051 2.43902
27 4D4U FUC NDG GAL FUC 0.02249 0.40345 2.53968
28 2WPX ACO 0.006912 0.40039 2.65487
29 1YQT ADP 0.0007706 0.48196 2.67062
30 2YNC YNC 0.009155 0.41638 2.67062
31 2OBM ADP 0.01588 0.41182 2.67062
32 3B5J 12D 0.001533 0.46234 2.88066
33 2YJD YJD 0.00786 0.40496 2.91667
34 2VWA PTY 0.01522 0.42015 2.9703
35 2IOR ADP 0.01879 0.4069 2.97872
36 3MMH SME 0.01103 0.40981 2.99401
37 3E3U NVC 0.008758 0.40656 3.04569
38 5DXE EST 0.01128 0.40149 3.06513
39 5DX3 EST 0.0136 0.40146 3.06513
40 4MGA 27L 0.01106 0.42533 3.13725
41 4MG9 27K 0.01727 0.40878 3.13725
42 4MGD 27N 0.008735 0.40661 3.13725
43 3UUA 0CZ 0.008547 0.41517 3.18725
44 3UUD EST 0.009412 0.40512 3.18725
45 2VZZ SCA 0.001835 0.44065 3.21101
46 2VVG ADP 0.003748 0.45429 3.2641
47 5GJC ATP 0.009518 0.41291 3.2641
48 1MXG ACR 0.01794 0.4036 3.2641
49 2MBR FAD 0.03946 0.40201 3.2641
50 2MBR EPU 0.03827 0.40201 3.2641
51 5MW4 5JU 0.01068 0.41219 3.29341
52 3BFV ADP 0.01044 0.41097 3.32103
53 4BQS ADP 0.01688 0.40085 3.40909
54 3B6C SDN 0.01875 0.40695 3.4188
55 4QM7 GTP 0.002822 0.43841 3.50877
56 4PPF FLC 0.0001263 0.547 3.56083
57 1GOJ ADP 0.003675 0.45445 3.56083
58 1RE8 BD2 0.02937 0.4002 3.56083
59 1V8K ANP 0.01721 0.40044 3.65854
60 1ECM TSA 0.004793 0.43208 3.66972
61 3RC3 ANP 0.0109 0.41437 3.85757
62 2NNJ 225 0.01573 0.40646 3.85757
63 3LXI CAM 0.02771 0.40023 3.85757
64 4LSJ LSJ 0.006424 0.40542 3.87597
65 1M2Z DEX 0.00187 0.41862 3.89105
66 3B9Q MLI 0.001571 0.46649 3.97351
67 3GJ0 GDP 0.01089 0.41007 4.0724
68 5WDR GNP 0.006771 0.41087 4.09357
69 3WUR O4B 0.0279 0.40321 4.09357
70 5H56 ADP 0.01413 0.40067 4.10256
71 5H56 TYD 0.01413 0.40067 4.10256
72 1XKV ATP 0.01023 0.40345 4.1543
73 4J6C STR 0.01864 0.40277 4.1543
74 3QF7 ANP 0.006168 0.40252 4.1543
75 5UWP GNP 0.004488 0.42032 4.21941
76 5UWI GNP 0.004185 0.42016 4.21941
77 5UWT GNP 0.004825 0.41742 4.21941
78 1JJ7 ADP 0.0007223 0.48948 4.23077
79 1K7U NAG NAG 0.01073 0.41458 4.30108
80 1K7T NAG GAL 0.02212 0.40163 4.30108
81 4KOT CE3 0.008172 0.42081 4.32099
82 1S7N COA 0.006482 0.40347 4.3956
83 3TL1 JRO 0.004657 0.43781 4.40252
84 2VF7 ADP 0.01004 0.40768 4.45104
85 5UGW GSH 0.003377 0.43675 4.57143
86 4HAT GNP 0.003888 0.4231 4.62963
87 2NUN ADP 0.01786 0.4037 4.64396
88 1NVU GTP 0.009617 0.40408 4.74777
89 1BO4 COA 0.003523 0.43376 4.7619
90 3MBI HSX 0.01853 0.4029 4.87805
91 1JI0 ATP 0.002202 0.45435 5
92 4CVN ADP 0.01992 0.4056 5.10949
93 1F9V ADP 0.006998 0.43294 5.18732
94 2BES RES 0.0005046 0.46883 5.23256
95 4HDQ GNP 0.003248 0.42506 5.2795
96 5XDR ADP 0.01074 0.40631 5.34125
97 5EOB 5QQ 0.03388 0.40256 5.63798
98 1XX6 ADP 0.01641 0.41296 5.75916
99 4P6X HCY 0.001591 0.42985 5.88235
100 3EWA ANP 0.01648 0.40134 5.90062
101 2DUR MAN MAN 0.01328 0.41978 5.92885
102 2VBF TPP 0.00862 0.41037 5.93472
103 1D4D FAD 0.02826 0.401 5.93472
104 3RET SAL 0.004518 0.4198 5.94059
105 3RET PYR 0.004518 0.4198 5.94059
106 3DDC GNP 0.01155 0.40054 6.13497
107 1I1D 16G 0.01001 0.40996 6.21118
108 1I1D COA 0.00842 0.40199 6.21118
109 4BV6 FAD 0.02185 0.40461 6.23145
110 4L2I NAD 0.02267 0.40641 6.46388
111 4L2I FAD 0.01695 0.40399 6.46388
112 5GVR LMR 0.0003829 0.50053 6.52819
113 2XT3 ADP 0.003832 0.45053 6.52819
114 4CFS HQD 0.01325 0.40199 6.62021
115 4YDS ATP 0.006684 0.42982 7.01754
116 1LVG ADP 0.004846 0.43693 7.07071
117 5IXG OTP 0.02617 0.40343 7.10059
118 3CV2 COA 0.01278 0.42409 7.12166
119 4WZ6 ATP 0.002015 0.46023 7.4184
120 5E5U MLI 0.005553 0.4553 7.53769
121 4R2I ANP 0.0006424 0.48152 7.61905
122 3GJX GTP 0.003684 0.42263 7.71513
123 1JJV ATP 0.01363 0.41599 7.76699
124 4MKF AP5 0.01606 0.40908 7.8341
125 3NHB ADP 0.00209 0.4598 7.84314
126 3E8T UQ8 0.0198 0.41535 8.18182
127 2XAU ADP 0.01164 0.40086 8.90208
128 4YMU ATP 0.002845 0.44329 9.16667
129 3N7S 3N7 0.01086 0.42563 9.49555
130 2DTJ THR 0.01471 0.40375 9.55056
131 1U9L ASN ARG PRO ILE LEU SER LEU 0.0138 0.40638 10
132 5KBE IPH 0.01269 0.41562 10.0437
133 4AG5 ADP 0.004111 0.4432 10.089
134 3ZCB ATP 0.004908 0.41814 10.101
135 2PZE ATP 0.0005548 0.49157 10.4803
136 2CUN 3PG 0.007298 0.42029 10.6825
137 1N4W FAD 0.02926 0.40028 10.6825
138 2CHT TSA 0.01823 0.40758 11.0236
139 4R29 SAM 0.01109 0.40969 11.1607
140 3AB4 THR 0.01005 0.41612 11.276
141 2GQT FAD 0.03332 0.40361 12.3134
142 4UYG 73B 0.02825 0.4005 12.7389
143 5K8P 6R8 0.01332 0.41005 13.6499
144 5TME UDP 0.01101 0.40986 13.6499
145 3N9R TD3 0.02099 0.40021 16.3205
146 2WCJ M21 0.002031 0.42903 17.7305
147 5EYP GDP 0.01008 0.40598 17.7515
148 4LNU GDP 0.009302 0.40009 18.9349
149 5GK9 ACO 0.01178 0.40156 20
150 3K7S R52 0.00758 0.41769 20.1117
151 3CYI ATP 0.0133 0.41794 20.9091
Pocket No.: 2; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3kc1.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3kc1.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3kc1.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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