Receptor
PDB id Resolution Class Description Source Keywords
6ha3 1.08 Å EC: 2.2.1.1 HUMAN TRANSKETOLASE VARIANT E160Q IN COVALENT COMPLEX WITH D KETOSE D-FRUCTOSE-6-PHOSPHATE HOMO SAPIENS THIAMIN DIPHOSPHATE TPP THDP ENZYME CATALYSIS SUGAR METTRANSFERASE
Ref.: LOW-BARRIER HYDROGEN BONDS IN ENZYME COOPERATIVITY. NATURE V. 573 609 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:715;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
EDO A:706;
A:714;
A:712;
A:713;
A:709;
A:704;
A:702;
A:710;
A:703;
A:707;
A:711;
A:705;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
T6F A:701;
 Valid;
 none;
 submit data
685.45 C18 H32 N4 O16 P3 S Cc1c(...
NA A:708;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
MG A:716;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KXV 0.97 Å EC: 2.2.1.1 HUMAN TRANSKETOLASE IN COVALENT COMPLEX WITH DONOR KETOSE D- 5-PHOSPHATE, CRYSTAL 1 HOMO SAPIENS THIAMIN DIPHOSPHATE ENZYME CATALYSIS PENTOSE PHOSPHATE PATTRANSFERASE
Ref.: SUB-ANGSTROM-RESOLUTION CRYSTALLOGRAPHY REVEALS PHY DISTORTIONS THAT ENHANCE REACTIVITY OF A COVALENT E INTERMEDIATE. NAT CHEM V. 5 762 2013
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4KXW - TDP DX5 n/a n/a
2 4KXV - TDP DX5 n/a n/a
3 6RJB - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
4 3MOS - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
5 6HA3 - T6F C18 H32 N4 O16 P3 S Cc1c(sc([n....
6 6HAD - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
7 4KXY - 1U0 C15 H23 N3 O9 P2 S Cc1c(sc(c1....
8 4KXU - S6P TDP n/a n/a
9 4KXX - 1Y7 TDP n/a n/a
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4KXW - TDP DX5 n/a n/a
2 4KXV - TDP DX5 n/a n/a
3 6RJB - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
4 3MOS - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
5 6HA3 - T6F C18 H32 N4 O16 P3 S Cc1c(sc([n....
6 6HAD - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
7 4KXY - 1U0 C15 H23 N3 O9 P2 S Cc1c(sc(c1....
8 4KXU - S6P TDP n/a n/a
9 4KXX - 1Y7 TDP n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4KXW - TDP DX5 n/a n/a
2 4KXV - TDP DX5 n/a n/a
3 6RJB - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
4 3MOS - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
5 6HA3 - T6F C18 H32 N4 O16 P3 S Cc1c(sc([n....
6 6HAD - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
7 4KXY - 1U0 C15 H23 N3 O9 P2 S Cc1c(sc(c1....
8 4KXU - S6P TDP n/a n/a
9 4KXX - 1Y7 TDP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: T6F; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 T6F 1 1
2 T5X 0.875 1
3 1Y7 TDP 0.666667 0.974359
4 AUJ 0.653465 0.949367
5 TDL 0.640777 0.95
6 TDK 0.634615 0.949367
7 TDP DX5 0.630631 0.974359
8 D7K 0.59292 0.9375
9 TDW 0.582524 0.923077
10 THV 0.580952 0.911392
11 WWF 0.575472 0.9125
12 O2T 0.574074 0.9375
13 HTL 0.567308 0.911392
14 TD6 0.544643 0.901235
15 THY 0.541284 0.9
16 TD9 0.535088 0.901235
17 TD8 0.535088 0.901235
18 TOG 0.513274 0.901235
19 THW 0.508772 0.911392
20 8PA 0.508197 0.9
21 5SR 0.477477 0.875
22 TPP 0.476636 0.897436
23 1U0 0.447368 0.871795
24 V4E 0.446429 0.897436
25 PYI 0.436364 0.797468
26 TPW 0.435185 0.807692
27 S1T 0.433628 0.820513
28 R1T 0.433628 0.820513
29 S6P TDP 0.433071 0.869048
30 8ML 0.433071 0.869048
31 8EO 0.40708 0.831325
32 TDP 0.403509 0.884615
Similar Ligands (3D)
Ligand no: 1; Ligand: T6F; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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