-->
Receptor
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 TRIC INHIBITOR 19A HOMO SAPIENS HYDROLASE ALLOSTERIC ENZYME CARBOHYDRATE METABOLISM DISEAMUTATION GLUCONEOGENESIS MAGNESIUM METAL-BINDING POLYMO
Ref.: STRUCTURE-BASED DRUG DESIGN OF TRICYCLIC 8H-INDENO[1,2-D][1,3]THIAZOLES AS POTENT FBPASE INH BIOORG.MED.CHEM.LETT. V. 20 1004 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2T6 A:401;
B:401;
C:401;
D:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 1 nM
326.265 C12 H11 N2 O5 P S c1cc(...
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 TRIC INHIBITOR 19A HOMO SAPIENS HYDROLASE ALLOSTERIC ENZYME CARBOHYDRATE METABOLISM DISEAMUTATION GLUCONEOGENESIS MAGNESIUM METAL-BINDING POLYMO
Ref.: STRUCTURE-BASED DRUG DESIGN OF TRICYCLIC 8H-INDENO[1,2-D][1,3]THIAZOLES AS POTENT FBPASE INH 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 11 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 9 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: 2T6; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2T6 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found with APoc: 455
This union binding pocket(no: 1) in the query (biounit: 3kc1.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 3X1Z GNP None
3 1R6N 434 None
4 4DR9 BB2 None
5 1Z83 AP5 1.02041
6 3QKD HI0 1.10497
7 1SR7 MOF 1.1583
8 3IA4 NDP 1.23457
9 2CBZ ATP 1.26582
10 5L7G 6QE 1.31148
11 5MWY YNU 1.31148
12 4P5E N6P 1.31579
13 5G41 AP5 1.34529
14 2P4Y C03 1.44404
15 6C0T EE4 1.48368
16 6CZY PMP 1.48368
17 2WET FAD 1.48368
18 5UQW GDP 1.5873
19 3R96 AMP 1.59574
20 3R96 ACO 1.59574
21 3G5K BB2 1.63934
22 1OIJ AKG 1.66113
23 6FA4 GNP 1.7341
24 6AM8 TRP 1.78042
25 6AMI TRP 1.78042
26 2UW1 GVM 1.78042
27 2RCN GDP 1.78042
28 4JNA FAD 1.78042
29 6AM8 PLT 1.78042
30 1CLU DBG 1.80723
31 2CIG 1DG 1.88679
32 4ITM ATP 1.90476
33 3UWB BB2 1.94805
34 4E2J MOF 2
35 2Q1H AS4 2
36 3GN8 DEX 2.00803
37 2ZCQ B65 2.04778
38 1QF9 C5P 2.06186
39 1QF9 ADP 2.06186
40 1QF9 ALF 2.06186
41 3H4S ADP 2.07715
42 4IEE AGS 2.07715
43 4FRZ ADP 2.07715
44 3COB ADP 2.07715
45 1OXV ANP 2.07715
46 2J5V PCA 2.07715
47 4C2X NHW 2.07715
48 3QDK QDK 2.07715
49 1SC6 NAD 2.07715
50 2ZJ1 ARJ 2.07715
51 2ZJ1 NAD 2.07715
52 3EC1 GDP 2.07715
53 4DP3 NDP 2.07715
54 4DP3 MMV 2.07715
55 5EOU ATP 2.07715
56 4G86 BNT 2.11268
57 3E70 GDP 2.13415
58 5CHR 4NC 2.18978
59 2XTZ GSP 2.25989
60 1ZIN AP5 2.30415
61 3LRE ADP 2.37389
62 3MD0 GDP 2.37389
63 2GKS ADP 2.37389
64 6BYF CIT 2.37389
65 1E4I NFG 2.37389
66 4ZKD GDP 2.37389
67 1J78 VDY 2.37389
68 5WKC TP9 2.37389
69 2Q0D ATP 2.37389
70 1J78 OLA 2.37389
71 1RM0 NAI 2.37389
72 5WKC AUJ 2.37389
73 5A96 GTP 2.40964
74 4NTO 1PW 2.41546
75 2W58 ADP 2.47525
76 1J3I NDP 2.5
77 5BSH PRO 2.52708
78 4D4U FUC NDG GAL FUC 2.53968
79 5EO8 TFU 2.57235
80 3O01 DXC 2.5974
81 2WPX ACO 2.65487
82 1YQT ADP 2.67062
83 4WBD CIT 2.67062
84 2YNC YNC 2.67062
85 4D5G TPP 2.67062
86 4D5G FAD 2.67062
87 2YNE YNE 2.67062
88 2YNE NHW 2.67062
89 2OBM ADP 2.67062
90 4FC7 COA 2.67062
91 4FC7 NAP 2.67062
92 2X7J TPP 2.67062
93 3O5N BR0 2.67857
94 2I0G I0G 2.72374
95 4MKG AP5 2.76498
96 4NU0 AP5 2.76498
97 2NCD ADP 2.85714
98 3B5J 12D 2.88066
99 2YJD YJD 2.91667
100 2AWN ADP 2.96736
101 4KVL PLM 2.96736
102 2D2F ADP 2.96736
103 5CX6 CDP 2.96736
104 5U32 GDP 2.96736
105 2BO4 FLC 2.96736
106 4RJK TPP 2.96736
107 4RJK TDL 2.96736
108 2VWA PTY 2.9703
109 2IOR ADP 2.97872
110 3MMH SME 2.99401
111 4RFM 3P6 3.00752
112 3E3U NVC 3.04569
113 3DFR NDP 3.08642
114 4MGA 27L 3.13725
115 5AOA PPI 3.14685
116 3R1V AZB 3.14961
117 5LX9 OLB 3.16901
118 5AAV GW5 3.1746
119 4TV1 36M 3.18725
120 5O2T GSP 3.20856
121 2VZZ SCA 3.21101
122 1U72 NDP 3.22581
123 1U72 MTX 3.22581
124 2QE4 JJ3 3.22581
125 2VVG ADP 3.2641
126 5TSH ADP 3.2641
127 5TSH ANP 3.2641
128 3ITJ CIT 3.2641
129 2WSA 646 3.2641
130 2WSA MYA 3.2641
131 2MBR EPU 3.2641
132 2MBR FAD 3.2641
133 3AYI HCI 3.2641
134 3AYI FAD 3.2641
135 1MXG ACR 3.2641
136 1IGW PYR 3.2641
137 4X8O AP5 3.27103
138 5MW4 5JU 3.29341
139 4LPS GDP 3.30579
140 3BFV ADP 3.32103
141 3TK1 GDP 3.33333
142 3NOJ PYR 3.36134
143 4BQS ADP 3.40909
144 3HSS MLA 3.41297
145 3B6C SDN 3.4188
146 3W5J GDP 3.43137
147 4LHW GNP 3.44828
148 3A4M ADP 3.46154
149 4H6U ACO 3.5
150 4QM7 GTP 3.50877
151 4PPF FLC 3.56083
152 2OG2 MLI 3.56083
153 1GOJ ADP 3.56083
154 2ZR9 DTP 3.56083
155 4IHQ ADP 3.56083
156 1RE8 BD2 3.56083
157 3KJS NAP 3.56083
158 5AK0 8V1 3.56083
159 1NHZ 486 3.57143
160 5WKR NAR 3.58744
161 3RMK BML 3.61446
162 1RJ9 GCP 3.61842
163 1G6O ADP 3.63636
164 2VBQ BSJ 3.63636
165 5SVV FMN 3.64964
166 1V8K ANP 3.65854
167 1ECM TSA 3.66972
168 1S3G AP5 3.68664
169 5OCG GNP 3.7037
170 5OCG 9R5 3.7037
171 3ZLM ANP 3.7234
172 1R0X ATP 3.84615
173 2C42 PYR 3.85757
174 2C42 TPP 3.85757
175 3DC4 ADP 3.85757
176 3RC3 ANP 3.85757
177 2C78 PUL 3.85757
178 2NNJ 225 3.85757
179 3LXI CAM 3.85757
180 4LSJ LSJ 3.87597
181 1G6H ADP 3.89105
182 1M2Z BOG 3.89105
183 1M2Z DEX 3.89105
184 1X1R GDP 3.93258
185 4KXL 6C6 3.94737
186 1S8F GDP 3.9548
187 1V0C KNC 3.9604
188 1V0C ACO 3.9604
189 3B9Q MLI 3.97351
190 3GJ3 GDP 4.0724
191 3GJ0 GDP 4.0724
192 5WDR GNP 4.09357
193 2Q4V ACO 4.11765
194 5ZXD ATP 4.1543
195 3TDC 0EU 4.1543
196 4J6C STR 4.1543
197 1H82 GZZ 4.1543
198 3QF7 ANP 4.1543
199 2CJW GDP 4.16667
200 2GDJ ANP 4.16667
201 3Q72 GNP 4.21687
202 5UWO GNP 4.21941
203 5UWQ GNP 4.21941
204 5UWU GNP 4.21941
205 5UWP GNP 4.21941
206 5UWI GNP 4.21941
207 5DHF GNP 4.21941
208 5DIF GNP 4.21941
209 5DI9 GNP 4.21941
210 5UWS GNP 4.21941
211 5UWJ GNP 4.21941
212 5UWT GNP 4.21941
213 5UWH GNP 4.21941
214 1JJ7 ADP 4.23077
215 5EW0 3C7 4.2735
216 1RRC ADP 4.31894
217 4KOT CE3 4.32099
218 2RGX AP5 4.36893
219 1S7N COA 4.3956
220 3TL1 JRO 4.40252
221 2C31 ADP 4.45104
222 2C31 TZD 4.45104
223 1FDJ 2FP 4.45104
224 4B6C B5U 4.45104
225 5LTJ ADP 4.45104
226 5O74 GDP 4.56853
227 5UGW GSH 4.57143
228 4HAT GNP 4.62963
229 3CH5 GDP 4.62963
230 2NUN ADP 4.64396
231 2ZW5 COA 4.65116
232 1WM1 PTB 4.73186
233 4URX FK1 4.74777
234 6D55 GNP 4.74777
235 6D5M GNP 4.74777
236 6D56 GNP 4.74777
237 6BVM GNP 4.74777
238 6D5H GNP 4.74777
239 6BVJ GNP 4.74777
240 6D5E GNP 4.74777
241 6BVK GNP 4.74777
242 6D5J GNP 4.74777
243 6D59 GNP 4.74777
244 6D5L GNP 4.74777
245 6D5V GNP 4.74777
246 6BVI GNP 4.74777
247 6D5G GNP 4.74777
248 6BVL GNP 4.74777
249 5A4W QCT 4.74777
250 5UIV ADP 4.74777
251 1YRB GDP 4.74777
252 1NVV GNP 4.74777
253 2WOJ ADP ALF 4.74777
254 3ZS9 ADP ALF 4.74777
255 1BO4 COA 4.7619
256 6BR8 PGV 4.7619
257 4XU6 TDA 4.7619
258 5M37 9SZ 4.78261
259 5M36 9SZ 4.80349
260 2F3R G5P 4.83092
261 3ZJ0 ACO 4.85437
262 3MBI HSX 4.87805
263 5NM7 GLY 4.88722
264 5B48 TDN 4.91803
265 5B47 PYR 4.93421
266 2CDN ADP 4.97512
267 2OQ2 A3P 4.98084
268 1JI0 ATP 5
269 3UIE ANP 5
270 5XKT GNP 5
271 4R38 RBF 5
272 3M1I GTP 5.02283
273 3WYF GTP 5.02283
274 3LN9 FLC 5.03597
275 4IGH ORO 5.04451
276 4IGH FMN 5.04451
277 4IGH 1EA 5.04451
278 4DCT GDP 5.04451
279 3IAE D7K 5.04451
280 3CEV ARG 5.04451
281 2B4B COA 5.04451
282 5CK5 GDP 5.06329
283 4CVN ADP 5.10949
284 4CSD MFU 5.14706
285 1F9V ADP 5.18732
286 2AQX ATP 5.19031
287 2BES RES 5.23256
288 4HDQ GNP 5.2795
289 3AQT RCO 5.30612
290 1RL4 BRR 5.31915
291 4M26 AKG 5.34125
292 3HWW AKG 5.34125
293 5XDR ADP 5.34125
294 1E96 GTP 5.41872
295 1AKY AP5 5.45455
296 1KSK URA 5.55556
297 3TTZ 07N 5.55556
298 4PYA 2X3 5.59006
299 1B0U ATP 5.63798
300 1IBR GNP 5.63798
301 5W6Y TRP 5.63798
302 2E2R 2OH 5.63798
303 3EYA TDP 5.63798
304 5I49 2KH 5.66406
305 1WA5 GTP 5.68182
306 1XX6 ADP 5.75916
307 4K81 GTP 5.81395
308 2X7I CIT 5.84416
309 4P6X HCY 5.88235
310 3EWA ANP 5.90062
311 1T5C ADP 5.93472
312 2Y65 ADP 5.93472
313 2VBF TPP 5.93472
314 1D4D FAD 5.93472
315 4KVG GTP 5.93472
316 2FNU PMP UD1 5.93472
317 3RET PYR 5.94059
318 3KO0 TFP 5.94059
319 3RET SAL 5.94059
320 3FB4 AP5 6.01852
321 4RJD TFP 6.06061
322 5N87 N66 6.07029
323 6BA2 7KM 6.1017
324 3DDC GNP 6.13497
325 4U00 ADP 6.14754
326 1BG2 ADP 6.15385
327 4LFL TG6 6.17284
328 1I1D 16G 6.21118
329 1I1D COA 6.21118
330 5NCB JZ3 6.23145
331 5MZI FYK 6.23145
332 2NXW TPP 6.23145
333 1AOE GW3 6.25
334 1AOE NDP 6.25
335 4M7V RAR 6.28571
336 4M7V NAP 6.28571
337 4E03 ADP 6.31068
338 3A3B FMN 6.31579
339 5EXE 5SR 6.34921
340 4L2I NAD 6.46388
341 4L2I FAD 6.46388
342 1ONI BEZ 6.52174
343 5GVR LMR 6.52819
344 2XT3 ADP 6.52819
345 2WHX ADP 6.52819
346 5B0I BOG 6.52819
347 1P72 ADP 6.58683
348 1GXU 2HP 6.59341
349 2UZI GTP 6.73077
350 1SVK ALF GDP 6.82493
351 3EWC MCF 6.82493
352 2ODE ALF GDP 6.82493
353 5URY PAM 6.84932
354 4YDS ATP 7.01754
355 1Y63 ADP 7.06522
356 1LVG ADP 7.07071
357 3CV2 COA 7.12166
358 5MTE BB2 7.12166
359 4BAE RWX 7.12166
360 3P4X ADP 7.26392
361 1T3D CYS 7.26644
362 1BH2 GSP 7.30159
363 4WZ6 ATP 7.4184
364 2Q8G AZX 7.4184
365 5W7B MYR 7.4184
366 4EIL NDP 7.4184
367 5E5U MLI 7.53769
368 4R2I ANP 7.61905
369 3GJX GTP 7.71513
370 1D1G NDP 7.7381
371 4MKF AP5 7.8341
372 3NHB ADP 7.84314
373 5BXQ GDP 7.87402
374 1HSK FAD 7.97546
375 4KFU ACP 8.01887
376 5VJN IR8 8.02139
377 5C9J DAO 8.08081
378 3RWO GDP 8.10811
379 3E8T UQ8 8.18182
380 3ZLR X0B 8.22785
381 6A20 ADP 8.30861
382 4YJ1 ADP 8.30861
383 2NV2 GLN 8.33333
384 5AJU RP5 8.39416
385 4YDD MD1 8.40841
386 4YDD MGD 8.40841
387 2BME GNP 8.60215
388 3GJ8 GDP 8.69565
389 4YMU ATP 9.16667
390 1QPB PYM 9.19881
391 1QPB TPP 9.19881
392 5ZI9 FLC 9.23077
393 5Z2M GTP 9.42029
394 3N7S 3N7 9.49555
395 5MU6 KFK 9.49555
396 5MU6 MYA 9.49555
397 5LOF 70R 9.49555
398 2DTJ THR 9.55056
399 6CS8 F9Y 9.57096
400 6AU6 GDP 9.79228
401 2PFC PLM 9.83607
402 5ZBL AMP 9.85222
403 1U9L ASN ARG PRO ILE LEU SER LEU 10
404 4BFW ZVW 10.0629
405 4AG5 ADP 10.089
406 2OFW ADX 10.0962
407 3ZCB ATP 10.101
408 3KIF GDL 10.3774
409 1ZED PNP 10.3858
410 2PZE ATP 10.4803
411 3WYG GTP 10.5263
412 1USF NAP 10.6742
413 2CUN 3PG 10.6825
414 4LAE NAP 10.7784
415 4LAE 1VM 10.7784
416 4OGQ 2WD 10.8108
417 4OGQ 7PH 10.8108
418 2KIN ADP 11
419 1P0H ACO 11.0063
420 2CHT TSA 11.0236
421 2C5L GTP 11.1111
422 4R29 SAM 11.1607
423 3AB4 THR 11.276
424 4MOP 2H5 12.1662
425 2GQT FAD 12.3134
426 4UYG 73B 12.7389
427 4JLS 3ZE 13.1579
428 1TUK PGM 13.4328
429 5K8P 6R8 13.6499
430 1UKZ ADP 13.7931
431 1YOK P6L 14.0625
432 5UWW GNP 14.2857
433 6F7X MFU 14.4444
434 1T0S BML 14.5455
435 5UPK GNP 14.5833
436 4P83 U5P 14.8352
437 5W97 CHD 15.2174
438 5Z84 CHD 15.2174
439 1MID LAP 15.3846
440 3N9R TD3 16.3205
441 2HF9 GSP 16.3717
442 4B5P ACO 17.5
443 2WCJ M21 17.7305
444 5L3S GNP 18.2432
445 1HTW ADP 18.9873
446 3ZIA ADP 19.0476
447 1GUA GNP 19.7531
448 5GK9 ACO 20
449 3K7S R52 20.1117
450 3CYI ATP 20.9091
451 1TKU 5RP 22.0588
452 6CIT GNP 23.8095
453 2V7Q ADP 24
454 5UWR GNP 29.6296
455 5YV5 ADP 38.8889
Pocket No.: 2; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found with APoc: 306
This union binding pocket(no: 2) in the query (biounit: 3kc1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4YLG GDP None
2 3HGM ATP None
3 1OIX GDP None
4 1OIV GDP None
5 3NKV GNP None
6 1UPT GTP None
7 1MR3 G3D None
8 2PEZ DAT 1.11732
9 2PEZ GGZ 1.11732
10 3RAB GNP 1.18694
11 3ZQ6 ADP ALF 1.23457
12 3UMV FAD 1.48368
13 4F07 FAD 1.57895
14 1ZD9 GDP 1.59574
15 4KM2 TOP 1.67598
16 4KM2 ATR 1.67598
17 1R2Q GNP 1.76471
18 4JB1 FAD 1.78042
19 4JB1 NAP 1.78042
20 5BU2 AMP 1.78042
21 3S2U UD1 1.78042
22 4ZG4 VO4 ADP 1.78042
23 1O3Y GTP 1.80723
24 1R4A GNP 1.81818
25 3F8K COA 1.875
26 2IL4 COA 1.94175
27 4LX0 BEF GDP 2.07715
28 5H68 AGS 2.07715
29 1IHU ADP 2.07715
30 4ZGS NAD 2.07715
31 5JCZ GDP 2.07715
32 3KDU NKS 2.16606
33 5J60 FAD 2.1875
34 1DL5 SAH 2.2082
35 2IXE ATP 2.21402
36 6BSX GDP 2.24719
37 6BSX E7S 2.24719
38 2WLG SOP 2.32558
39 3NRR NAP 2.37389
40 3NRR D16 2.37389
41 5V2J UDP 2.37389
42 5V2J 7WV 2.37389
43 3WXL ADP 2.37389
44 1TQ4 GDP 2.37389
45 6H3O FAD 2.37389
46 3OV6 MK0 2.37389
47 1RM0 D6P 2.37389
48 4U7W NDP 2.37389
49 4UTG ANP 2.37389
50 1I8T FAD 2.37389
51 2WTX VDO 2.37389
52 1RPN NDP 2.38806
53 5DRB 5FJ 2.4055
54 4OR7 NAP 2.42424
55 2BL9 NDP 2.52101
56 2BL9 CP6 2.52101
57 1L2T ATP 2.55319
58 4ITU 1HS 2.60223
59 2WPW ACO 2.65487
60 2FNA ADP 2.67062
61 3SXN COA 2.67062
62 2QRK AMP 2.67062
63 4CNK FAD 2.67062
64 4LC1 GDP 2.67062
65 1WQ1 GDP 2.69461
66 4C4P GNP 2.80374
67 1TQP ATP 2.83688
68 5EE5 GTP 2.92398
69 1YVD GNP 2.95858
70 1GPE FAD 2.96736
71 4B1V ATP 2.96736
72 4B1V LAB 2.96736
73 6FAA ADP 2.96736
74 2D0O ADP 2.96736
75 1Z2A GDP 2.97619
76 5NUE NAD 3.01205
77 2QG6 NMN 3.01508
78 3EEL 53T 3.0837
79 2PWY SAH 3.10078
80 2W9S NDP 3.10559
81 4TL6 ANP 3.16206
82 1U3G THF 3.1746
83 2ZTS ADP 3.18725
84 1BZY IMU 3.22581
85 3ITJ FAD 3.2641
86 4P8K 38C 3.2641
87 4P8K FAD 3.2641
88 1J0D 5PA 3.2641
89 1WDT GTP 3.2641
90 5ERG SAM 3.2641
91 1ZOA 140 3.2641
92 3D9F N6C 3.2641
93 3D9F FAD 3.2641
94 3HU3 AGS 3.2641
95 6EAC ANP 3.2641
96 4NE2 ADP 3.29341
97 4NE2 SH2 3.29341
98 1Z0J GTP 3.38983
99 4BQS K2Q 3.40909
100 2A5F GTP 3.42857
101 1EK0 GNP 3.52941
102 5ZB0 ADP 3.53535
103 5ZB0 TYD 3.53535
104 5A0R ACE GLU VAL ASN PRO 3.53535
105 4WOP CTP 3.55556
106 5TIV A3P 3.55731
107 1PVN MZP 3.56083
108 3KJS DQ1 3.56083
109 2Q2Y ADP 3.56083
110 2Q2Y MKR 3.56083
111 2HIM ASP 3.56083
112 4AVB ACO 3.6036
113 3GJ5 GDP 3.61991
114 3PCR GTP 3.7037
115 3RG9 NDP 3.75
116 3RG9 WRA 3.75
117 1BOB ACO 3.75
118 2DRC MTX 3.77358
119 4PSW COA 3.78549
120 4UXH T5A 3.80435
121 2D1K ATP 3.84615
122 2XYA 7L4 3.84615
123 1ZCB GDP 3.85757
124 3TNF GNP 3.85757
125 3OND ADN 3.85757
126 3OND NAD 3.85757
127 3SFV GDP 3.85757
128 1OS1 PYR 3.85757
129 1OS1 ATP 3.85757
130 1I9G SAM 3.92857
131 1Z0A GDP 4.02299
132 3QWI CUE 4.07407
133 5L3R GCP 4.09556
134 5X40 ACP 4.10959
135 5KMS NAD 4.1543
136 6F3M NAD 4.1543
137 1G0N NDP 4.1543
138 1G0N PHH 4.1543
139 1XKV ATP 4.1543
140 5KMS FAD 4.1543
141 4NSQ COA 4.1543
142 4TMK T5A 4.22535
143 1XCL SAH 4.25532
144 2XTN GTP 4.2735
145 2CVQ NDP 4.28135
146 1MJH ATP 4.32099
147 2W2X GSP 4.32432
148 2QQ0 ADP 4.34783
149 2QQ0 TMP 4.34783
150 2QQ0 ANP 4.34783
151 3IIJ ADP 4.44444
152 5ESO ISC 4.45104
153 5ESO TDP 4.45104
154 4AUT FAD 4.45104
155 1UJ2 ADP 4.45104
156 1UJ2 C5P 4.45104
157 4YC7 GNP 4.45104
158 5A89 FMN 4.48718
159 5A89 ADP 4.48718
160 4R57 ACO 4.54545
161 1NN5 2DT 4.65116
162 1NN5 ANP 4.65116
163 3WR7 COA 4.70588
164 4XTR ATP 4.74777
165 4XVU ATP 4.74777
166 2BIF SIN 4.74777
167 1U8Z GDP 4.7619
168 4UNR QZE 4.7619
169 5B47 TPP 4.93421
170 1TAD ALF 4.93827
171 1TAD GDP 4.93827
172 5AZC PGT 5
173 2VCH UDP 5.04451
174 4OHY ANP 5.04451
175 3O9Z NAD 5.12821
176 2FXV 5GP 5.15464
177 5IRR GSP 5.19481
178 5SZH GNP 5.22876
179 5J1J ANP 5.26316
180 2YAK OSV 5.26316
181 4HDO GNP 5.2795
182 1ZC3 GNP 5.30973
183 1NJF AGS 5.34125
184 5F2T PLM 5.34125
185 1FNN ADP 5.34125
186 1SVM ATP 5.34125
187 5HCN GCP 5.36398
188 2B3D FAD 5.39216
189 1YZN GNP 5.40541
190 2ZEJ GDP 5.43478
191 1D2N ANP 5.51471
192 5WS9 ATP 5.63798
193 3CR3 ADP 5.78512
194 1VG8 GNP 5.7971
195 2FZH DH1 5.82524
196 4XOI GTP 5.92593
197 1LVK MNT BEF 5.93472
198 5LXT GDP 5.93472
199 3RYC GTP 5.93472
200 3RYC GDP 5.93472
201 1ZUI SKM 5.95238
202 2J59 GTP 5.95238
203 2WOE AR6 6.02007
204 6B8B ADP 6.0241
205 2O4C NAD 6.05263
206 1F2U ATP 6.08108
207 4QC6 30N 6.14525
208 3BC1 GNP 6.15385
209 6EDV COA 6.18557
210 5FHD ADP ALF 6.23145
211 1Q19 SSC 6.23145
212 5IRN ADP 6.23145
213 4KVX ACO 6.41026
214 4HI0 GDP 6.41509
215 2CE7 ADP 6.52819
216 3IHG FAD 6.52819
217 2V2V V12 6.64207
218 1FQK GDP 6.80272
219 4OI4 ATP 6.95652
220 1Y3A GDP 6.99088
221 2F9L GDP 7.03518
222 1GAR U89 7.07547
223 5K04 COA 7.12166
224 3IX9 NDP 7.12166
225 2YOH WMJ 7.14286
226 4XJC TTP 7.34463
227 1Z0K GTP 7.55814
228 5NTP 98E 7.56302
229 1JG3 ADN 7.65957
230 1UVC STE 7.69231
231 1ZPD DPX 7.71513
232 4D9M 0JO 7.71513
233 2Q0L FAD 7.71704
234 5BYK A3P 7.72201
235 5BYK OAQ 7.72201
236 1JJV ATP 7.76699
237 3OU2 SAH 7.79817
238 1GHE ACO 7.9096
239 1CS4 GSP 8.01187
240 5TVJ 7LF 8.01187
241 5TVJ COA 8.01187
242 1QO8 FAD 8.01187
243 5G3Y ADP 8.40708
244 1E2K TMC 8.45921
245 4Q1A UDP 8.57143
246 4Q1A 2XZ 8.57143
247 6B4K ANP 8.60534
248 2B4D COA 8.77193
249 4WZA ACP 8.90208
250 4WZA ADP 8.90208
251 2XAU ADP 8.90208
252 5VHC BEF ADP 8.90208
253 4YV5 SVR 9.01639
254 3GJ7 GDP 9.18367
255 1G3M PCQ 9.18367
256 1G3M A3P 9.18367
257 3QKT ANP 9.19881
258 3QBT GNP 9.28571
259 2HV8 GTP 9.375
260 5V22 SAH 9.42761
261 3RLF ANP 9.49555
262 1QNF HDF 9.49555
263 1QNF FAD 9.49555
264 1GOT GDP 9.58904
265 4TWP AXI 9.5941
266 5FVJ ACO 9.63855
267 5HP8 PYR 9.67742
268 5KBE IPH 10.0437
269 1R18 SAH 10.1322
270 3MB5 SAM 10.1961
271 1X6V ADP 10.3858
272 2VB6 ADP BEF 10.3858
273 3KTA AP5 10.4046
274 1XEX ATP 10.4651
275 4CYD CMP 11.5556
276 5KDO GDP 11.8694
277 5WC2 ADP 11.8694
278 1UAD GNP 12.1212
279 5J1S ATP 12.1662
280 1M7G ADP 12.4629
281 1M7G ADX 12.4629
282 2VBU CDP 12.5
283 1GP2 GDP 12.6761
284 6CRK GDP 12.6761
285 1K6M AGS 12.7596
286 4XT8 TMQ 12.7907
287 4XT8 NAP 12.7907
288 1DR1 NAP 13.2275
289 1DR1 HBI 13.2275
290 3TMK T5A 13.4259
291 1TU3 GNP 13.9241
292 2D7C GTP 14.2857
293 3CX8 GSP 14.7783
294 1LFD GNP 14.9425
295 1ZEM NAD 15.6489
296 1X8J A3P 16.0237
297 3GAY P6T 16.9139
298 3MJH GTP 17.6471
299 5EYP GDP 17.7515
300 1U7Z PMT 18.1416
301 4LNU GDP 18.9349
302 3KUD GDP 19.7531
303 3GJ4 GDP 21.2121
304 2W83 GTP 23.3766
305 5EIB GTP 26.087
306 1J2J GTP 40
Pocket No.: 3; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found with APoc: 39
This union binding pocket(no: 3) in the query (biounit: 3kc1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4YRD 3IT 0.890208
2 3FUR Z12 1.47059
3 4QTB 38Z 1.48368
4 1V59 FAD 2.37389
5 1J3I WRA 2.5
6 1GQ2 NAP 2.67062
7 2QXL ATP 2.67062
8 3HDY GDU 2.96736
9 3HDY FDA 2.96736
10 3H4T UDP 2.96736
11 3SBD GNP 3.20856
12 4I4B 1CV 3.2641
13 4IOK ADP 3.2641
14 4Z3X MTE 3.35196
15 3ELW GP3 3.66667
16 3ELW SAM 3.66667
17 2JLR ANP 3.85757
18 3MQG ACO 4.1543
19 4YRY NAD 4.45104
20 3ZY6 GFB 4.45104
21 1QY1 PRZ 4.5977
22 5THY SAH 4.69136
23 3FVQ ATP 4.74777
24 3TAY MN0 4.90798
25 2Z6C FMN 5.42636
26 3RK1 ATP 5.48523
27 4ZOH MCN 5.63798
28 1G27 BB1 5.95238
29 1YAG ATP 6.4
30 4NTD FAD 6.52819
31 2YI0 YI0 6.55022
32 1GJW GLC 6.82493
33 3I54 CMP 6.82731
34 2R42 FPS 8.01187
35 5DXV NAP 10.2564
36 4PFO ADP 10.3858
37 1FQJ GDP 14.2857
38 5ITZ GDP 25.1968
39 5ITZ GTP 25.1968
Pocket No.: 4; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found with APoc: 21
This union binding pocket(no: 4) in the query (biounit: 3kc1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3S1S SAH 1.48368
2 1KDO C 1.76211
3 1NAA 6FA 1.78042
4 2YG3 FAD 1.78042
5 6F97 FAD 1.78042
6 3TWO NDP 2.37389
7 3HQP OXL 2.67062
8 5CKS GAL 2.96736
9 5MLR NAP 3.56083
10 5MLR GRQ 3.56083
11 3ICT FAD 4.1543
12 4YRY FAD 4.45104
13 3GDH SAH 5.80913
14 5LXT 7AK 5.93472
15 3CIP ATP 6.25
16 1OFZ FUC 6.82493
17 1OFZ FUL 6.82493
18 5WLB GNP 8.82353
19 5MVR ADP 9.87654
20 3WCZ NAP 11.6883
21 2C9O ADP 14.5401
APoc FAQ
Feedback