-->
Receptor
PDB id Resolution Class Description Source Keywords
1GCK 2.5 Å EC: 2.6.1.1 THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTAN COMPLEXED WITH ASPARTATE THERMUS THERMOPHILUS AMINOTRANSFERASE DUAL-SUBSTRATE ENZYME PYRIDOXAL ENZYME TRANSFERASE
Ref.: SUBSTRATE RECOGNITION MECHANISM OF THERMOPHILIC DUAL-SUBSTRATE ENZYME J.BIOCHEM.(TOKYO) V. 130 89 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP PLP A:414;
B:914;
Valid;
Valid;
none;
none;
submit data
359.207 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GCK 2.5 Å EC: 2.6.1.1 THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTAN COMPLEXED WITH ASPARTATE THERMUS THERMOPHILUS AMINOTRANSFERASE DUAL-SUBSTRATE ENZYME PYRIDOXAL ENZYME TRANSFERASE
Ref.: SUBSTRATE RECOGNITION MECHANISM OF THERMOPHILIC DUAL-SUBSTRATE ENZYME J.BIOCHEM.(TOKYO) V. 130 89 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1GCK - ASP PLP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1GCK - ASP PLP n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GDE - GLU PLP n/a n/a
2 1V2F - HCI C9 H10 O2 c1ccc(cc1)....
3 1U08 - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 1GCK - ASP PLP n/a n/a
5 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP PLP; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP PLP 1 1
2 GLU PLP 0.52439 0.866667
3 PLP 2KZ 0.518987 0.847458
4 PLP CYS 0.518987 0.85
5 PLP 2TL 0.5125 0.833333
6 SEP PLP 0.506173 0.864407
7 PLP BH2 0.506173 0.833333
8 PLP SEP 0.506173 0.864407
9 LEU PLP 0.5 0.836066
10 PLP MET 0.476744 0.772727
11 CAN PLP 0.471264 0.8125
12 PLP SUO 0.457447 0.8
13 PLP 999 0.447059 0.807018
14 ACZ PLP 0.431579 0.809524
15 TZA PLP 0.431579 0.809524
16 GAB PLP 0.428571 0.833333
17 GBC PLP 0.428571 0.833333
18 MET PLP 0.411111 0.770492
19 PMP HSA 0.404255 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GCK; Ligand: ASP PLP; Similar sites found with APoc: 119
This union binding pocket(no: 1) in the query (biounit: 1gck.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1PMO PLR 1.55844
2 2EG5 XTS 1.6129
3 6CZY PMP 1.65746
4 1O69 X04 1.81818
5 4DXJ 0M9 1.9337
6 5CQG 55C 2.01342
7 5TXR PLP 2.07792
8 3BS8 PMP 2.07792
9 5YKT PMP 2.85714
10 4ZM4 PLP 2.85714
11 4AZJ SEP PLP 3.05556
12 6DND PLP 3.11688
13 1VJO PLP 3.11688
14 1DJ9 KAM 3.125
15 2HJ9 AI2 3.16742
16 2FNU PMP UD1 3.2
17 4A91 GLU 3.3557
18 5KGS 6SR 3.37662
19 1C3M MAN MAN 3.40136
20 5U23 TQP 3.40314
21 5Z54 0HZ 3.52423
22 2J5V PCA 3.54223
23 1E5F PLP 3.63636
24 4RQL SNE 3.63636
25 4WXG 2BO 3.63636
26 4BA5 PXG 3.8961
27 4UOX PLP 3.8961
28 4AOA IK2 3.8961
29 5ENZ UDP 3.8961
30 4E3Q PMP 4.15584
31 1FC4 AKB PLP 4.15584
32 3F81 STT 4.37158
33 6ECG PM9 4.41558
34 2FYF PLP 4.41558
35 2XBN PMP 4.41558
36 2TPL HPP 4.41558
37 1DFO PLG 4.67532
38 5W19 9TD 4.93506
39 5GVL GI8 5.45455
40 5GVL PLG 5.45455
41 1F6D UDP 5.58511
42 3VP6 HLD 5.97403
43 3A8U PLP 6.49351
44 4Y24 TD2 6.49351
45 4IYO 0JO 6.75325
46 4IY7 KOU 6.75325
47 4IY7 0JO 6.75325
48 3HKA FIX 6.75325
49 3OYW TDG 7.46269
50 3ZRR PXG 7.8125
51 2Z9V PXM 8.05195
52 6C3C EJ1 8.31169
53 2V2V V12 8.48709
54 6CD1 PLG 8.57143
55 6CD1 PLS 8.57143
56 2HOX P1T 9.09091
57 3B8X G4M 10.1299
58 4UHO PLP 11.1688
59 3WGC PLG 11.4369
60 6EWR PMP 11.9481
61 4ZAH T5K 11.9481
62 2PO3 T4K 11.9481
63 5K8B PDG 12.1588
64 4K2M O1G 12.4675
65 4LNL PLG 13.2132
66 4LNL 2BK 13.2132
67 4LNL 2BO 13.2132
68 6FYQ PLP 13.5065
69 6C92 EQJ 13.5638
70 6C8T EQJ 13.5638
71 6C9B EGV 13.5638
72 4HVK PMP 13.6126
73 3DR4 G4M 14.026
74 1WYV PLP AOA 14.026
75 5X30 7XF 14.2857
76 5X30 4LM 14.2857
77 5X2Z 3LM 14.2857
78 5W70 9YM 15.5844
79 2OGA PGU 15.5844
80 3BWN PMP 15.8442
81 3BWN PMP PHE 15.8442
82 1B9I PXG 15.8442
83 3NUB UD0 15.8774
84 5W71 PLP 16.6234
85 5W71 9YM 16.6234
86 3FRK TQP 16.8901
87 4C6H HE2 17.1821
88 5M3Z PLP 18.4416
89 5M3Z PY6 18.4416
90 5M3Z NLE 18.4416
91 1CL2 PPG 18.961
92 1LW4 PLP 19.3084
93 1LW4 TLP 19.3084
94 4RKC PMP 19.4805
95 2AY3 MPP 20
96 2WK9 PLG 22.5974
97 2WK9 PLP 22.5974
98 1GEX PLP HSA 24.4382
99 4ADC PLP 24.6753
100 1LC8 33P 25.2747
101 3FQ8 PMP 27.013
102 1C7O PPG 27.2727
103 5T4J PLP ABU 29.0411
104 3CQ5 PMP 32.7913
105 3EI9 PL6 36.3426
106 4JE5 PMP 36.3636
107 4JE5 PLP 36.3636
108 1M7Y PPG 36.6234
109 4M2K PLP 36.8831
110 1UU1 PMP HSA 37.6119
111 2ZYJ PGU 38.0353
112 2X5F PLP 38.4416
113 4FL0 PLP 41.2987
114 4R5Z PMP 41.6894
115 4R5Z SIN 41.6894
116 2R2N PMP 43.6364
117 2R2N KYN 43.6364
118 5VEQ PMP 44.6753
119 2X5D PLP 48.5714
Pocket No.: 2; Query (leader) PDB : 1GCK; Ligand: ASP PLP; Similar sites found with APoc: 21
This union binding pocket(no: 2) in the query (biounit: 1gck.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZC9 PMP 1.55844
2 2C29 NAP 1.78042
3 1JS3 PLP 142 1.81818
4 4WVW SLT 2.08333
5 4ZM4 P3B 2.85714
6 5UAO FAD 3.11688
7 1M5B BN1 3.42205
8 4O48 ASP 3.61446
9 3B8I OXL 4.18118
10 4ZSY RW2 5.19481
11 1VGV UD1 5.46875
12 1NC2 DOE 5.5814
13 1NC4 DOF 5.5814
14 5U83 ZN8 6.13208
15 5G09 6DF 6.75325
16 1MDZ PLP 8.57143
17 1MDZ DCS 8.57143
18 5ITZ GDP 11.811
19 2Y7P SAL 12.844
20 6C92 EGV 13.5638
21 5WYF ILP 18.7013
APoc FAQ
Feedback