Receptor
PDB id Resolution Class Description Source Keywords
1UMD 1.9 Å EC: 1.2.4.4 BRANCHED-CHAIN 2-OXO ACID DEHYDROGENASE (E1) FROM THERMUS THERMOPHILUS HB8 WITH 4-METHYL-2-OXOPENTANOATE AS AN I NTERMEDIATE THERMUS THERMOPHILUS ALPHA(2)BETA(2) TETRAMER STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI OXIDOREDUCTASE
Ref.: LIGAND-INDUCED CONFORMATIONAL CHANGES AND A REACTION INTERMEDIATE IN BRANCHED-CHAIN 2-OXO ACID DEHYDROGENASE (E1) FROM THERMUS THERMOPHILUS HB8, AS REVEALED BY X-RAY CRYSTALLOGRAPHY J.MOL.BIOL. V. 337 1011 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1401;
C:2401;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
TDP COI A:1402;
C:2402;
 Valid;
Valid;
 none;
none;
 submit data
507.421 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UMD 1.9 Å EC: 1.2.4.4 BRANCHED-CHAIN 2-OXO ACID DEHYDROGENASE (E1) FROM THERMUS THERMOPHILUS HB8 WITH 4-METHYL-2-OXOPENTANOATE AS AN I NTERMEDIATE THERMUS THERMOPHILUS ALPHA(2)BETA(2) TETRAMER STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI OXIDOREDUCTASE
Ref.: LIGAND-INDUCED CONFORMATIONAL CHANGES AND A REACTION INTERMEDIATE IN BRANCHED-CHAIN 2-OXO ACID DEHYDROGENASE (E1) FROM THERMUS THERMOPHILUS HB8, AS REVEALED BY X-RAY CRYSTALLOGRAPHY J.MOL.BIOL. V. 337 1011 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1UMD - TDP COI n/a n/a
2 1UMB - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
3 1UMC - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1UMD - TDP COI n/a n/a
2 1UMB - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
3 1UMC - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UMD - TDP COI n/a n/a
2 1UMB - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
3 1UMC - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TDP COI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TDP COI 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TDP COI; Similar ligands found: 20
No: Ligand Similarity coefficient
1 WWF 0.9742
2 THY 0.9717
3 THV 0.9613
4 TD7 0.9483
5 THW 0.9361
6 TD8 0.9206
7 TD6 0.9198
8 THD 0.9178
9 R1T 0.9166
10 TOG 0.9165
11 HTL 0.9145
12 TDM 0.9132
13 5SR 0.8991
14 8N9 0.8990
15 S1T 0.8919
16 1U0 0.8869
17 AUJ 0.8789
18 TZD 0.8728
19 TDN 0.8667
20 QSP 0.8566
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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