Receptor
PDB id Resolution Class Description Source Keywords
1V7C 2 Å EC: 4.2.3.1 CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM THERMUS THERMOPHILUS HB8 IN COMPLEX WITH A SUBSTRATE ANALOGUE THERMUS THERMOPHILUS PLP-DEPENDENT ENZYME RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS LYASE
Ref.: CRYSTAL STRUCTURES OF THREONINE SYNTHASE FROM THERMUS THERMOPHILUS HB8: CONFORMATIONAL CHANGE, SUBSTRATE RECOGNITION, AND MECHANISM. J.BIOL.CHEM. V. 278 46035 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEY A:1400;
B:2400;
C:3400;
D:4400;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
426.253 C13 H20 N2 O10 P2 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V7C 2 Å EC: 4.2.3.1 CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM THERMUS THERMOPHILUS HB8 IN COMPLEX WITH A SUBSTRATE ANALOGUE THERMUS THERMOPHILUS PLP-DEPENDENT ENZYME RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS LYASE
Ref.: CRYSTAL STRUCTURES OF THREONINE SYNTHASE FROM THERMUS THERMOPHILUS HB8: CONFORMATIONAL CHANGE, SUBSTRATE RECOGNITION, AND MECHANISM. J.BIOL.CHEM. V. 278 46035 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3AEX - AN7 C11 H12 N O8 P Cc1c(c(c(c....
2 1V7C - HEY C13 H20 N2 O10 P2 Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3AEX - AN7 C11 H12 N O8 P Cc1c(c(c(c....
2 1V7C - HEY C13 H20 N2 O10 P2 Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3AEX - AN7 C11 H12 N O8 P Cc1c(c(c(c....
2 1V7C - HEY C13 H20 N2 O10 P2 Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HEY; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 HEY 1 1
2 3LM 0.743243 0.882353
3 P1T 0.643836 0.923077
4 PLG 0.581081 0.90625
5 2BK 0.564103 0.861538
6 2BO 0.564103 0.861538
7 TLP 0.564103 0.861538
8 PP3 0.558442 0.861538
9 PDD 0.558442 0.861538
10 PDA 0.558442 0.861538
11 IK2 0.551282 0.838235
12 PLS 0.544304 0.876923
13 5PA 0.544304 0.865672
14 PLP 2KZ 0.5375 0.875
15 C6P 0.5375 0.876923
16 PPD 0.5375 0.90625
17 PY5 0.530864 0.880597
18 PLA 0.530864 0.852941
19 LPI 0.53012 0.842857
20 QLP 0.53012 0.882353
21 IN5 0.519481 0.830769
22 PDG 0.518072 0.9375
23 CBA 0.518072 0.823529
24 7XF 0.518072 0.907692
25 PGU 0.518072 0.9375
26 ILP 0.518072 0.863636
27 RW2 0.517241 0.895522
28 33P 0.5125 0.818182
29 PMG 0.511905 0.882353
30 PL2 0.511905 0.774648
31 PMP 0.507042 0.8125
32 76U 0.505882 0.893939
33 PY6 0.505882 0.855072
34 PSZ 0.5 0.763889
35 ORX 0.5 0.893939
36 N5F 0.5 0.923077
37 PL4 0.5 0.893939
38 EA5 0.5 0.895522
39 PE1 0.494253 0.893939
40 PXP 0.492958 0.75
41 KAM 0.488889 0.893939
42 PMH 0.487805 0.670886
43 PXG 0.483146 0.820895
44 GT1 0.479452 0.676471
45 7TS 0.465116 0.74359
46 PPG 0.461538 0.865672
47 DCS 0.45977 0.708861
48 AQ3 0.452632 0.826087
49 PL8 0.445652 0.847222
50 9YM 0.444444 0.771429
51 7B9 0.43617 0.884058
52 RMT 0.425532 0.782609
53 1D0 0.42268 0.788732
54 AN7 0.414634 0.734375
55 PZP 0.413333 0.707692
56 FOO 0.409639 0.769231
57 FEV 0.406977 0.761194
58 EVM 0.402299 0.75
59 PLP 0.4 0.703125
60 4LM 0.4 0.772727
61 0JO 0.4 0.761194
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V7C; Ligand: HEY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1v7c.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1V7C; Ligand: HEY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1v7c.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1V7C; Ligand: HEY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1v7c.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1V7C; Ligand: HEY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1v7c.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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