Receptor
PDB id Resolution Class Description Source Keywords
1RTW 2.35 Å NON-ENZYME: TRANSCRIPT_TRANSLATE X-RAY STRUCTURE OF PF1337, A TENA HOMOLOGUE FROM PYROCOCCUS NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TA PYROCOCCUS FURIOSUS PF1337 TENA THIAMIN STRUCTURAL GENOMICS PSI PROTEIN STRINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGFUNCTION
Ref.: THE 2.35 A STRUCTURE OF THE TENA HOMOLOG FROM PYROC FURIOSUS SUPPORTS AN ENZYMATIC FUNCTION IN THIAMINE METABOLISM. ACTA CRYSTALLOGR.,SECT.D V. 61 589 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MP5 A:1213;
Valid;
none;
submit data
219.135 C6 H10 N3 O4 P Cc1nc...
PO4 B:2214;
C:3214;
D:4214;
Invalid;
Invalid;
Invalid;
none;
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
1RTW 2.35 Å NON-ENZYME: TRANSCRIPT_TRANSLATE X-RAY STRUCTURE OF PF1337, A TENA HOMOLOGUE FROM PYROCOCCUS NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TA PYROCOCCUS FURIOSUS PF1337 TENA THIAMIN STRUCTURAL GENOMICS PSI PROTEIN STRINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGFUNCTION
Ref.: THE 2.35 A STRUCTURE OF THE TENA HOMOLOG FROM PYROC FURIOSUS SUPPORTS AN ENZYMATIC FUNCTION IN THIAMINE METABOLISM. ACTA CRYSTALLOGR.,SECT.D V. 61 589 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1RTW - MP5 C6 H10 N3 O4 P Cc1ncc(c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1RTW - MP5 C6 H10 N3 O4 P Cc1ncc(c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1RTW - MP5 C6 H10 N3 O4 P Cc1ncc(c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MP5; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 MP5 1 1
2 HMH 0.511111 0.686275
3 TPS 0.449275 0.705882
4 PMP 0.438596 0.728814
5 TPU 0.430556 0.7
6 PLR 0.425926 0.678571
7 DPX 0.424658 0.705882
8 TPW 0.424658 0.723077
9 G8G 0.418919 0.661972
10 TZD 0.413333 0.631579
11 FQP 0.409836 0.872727
12 TPP 0.407895 0.676056
13 PYI 0.407895 0.712121
14 PLP 0.403509 0.666667
15 8FL 0.402597 0.64
16 8EO 0.402597 0.64
17 8EL 0.402597 0.64
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RTW; Ligand: MP5; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1rtw.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2F2G HMH 42.7273
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