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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1006;
A:1003;
A:1002;
A:1010;
A:1007;
A:1008;
A:1009;
A:1005;
A:1004;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
TDP DX5 A:1011;
Valid;
none;
submit data n/a n/a n/a n/a
CA A:1001;
Part of Protein;
none;
submit data
40.078 Ca [Ca+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 (6)
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 3MOS - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
4 4KXY - 1U0 C15 H23 N3 O9 P2 S Cc1c(sc(c1....
5 4KXU - S6P TDP n/a n/a
6 4KXX - 1Y7 TDP n/a n/a
70% Homology Family (6)
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 3MOS - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
4 4KXY - 1U0 C15 H23 N3 O9 P2 S Cc1c(sc(c1....
5 4KXU - S6P TDP n/a n/a
6 4KXX - 1Y7 TDP n/a n/a
50% Homology Family (6)
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 3MOS - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
4 4KXY - 1U0 C15 H23 N3 O9 P2 S Cc1c(sc(c1....
5 4KXU - S6P TDP n/a n/a
6 4KXX - 1Y7 TDP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TDP DX5; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KXV; Ligand: TDP DX5; Similar sites found with APoc: 55
This union binding pocket(no: 1) in the query (biounit: 4kxv.bio1) has 69 residues
No: Leader PDB Ligand Sequence Similarity
1 6DEN TP9 1.0989
2 6DEN G8A 1.0989
3 6DEN FAD 1.0989
4 4BC5 5FX 1.11524
5 3FSJ D7K 1.13636
6 4WBD CIT 1.2939
7 3EYA TDP 1.45719
8 5A1S FLC 1.78571
9 2Z49 AMG 1.85185
10 2Z48 A2G 1.85185
11 2Z48 NGA 1.85185
12 2D24 XYS XYS 1.88383
13 3HWW AKG 2.15827
14 3B8I OXL 2.78746
15 6F90 MVL 3.13972
16 4USI AKG 3.24675
17 2QZ4 ADP 3.43511
18 5HRA DAS 3.82979
19 5B47 TPP 3.94737
20 1Q19 SSC 3.97614
21 2YIC TPP 4.08163
22 4RJK TPP 4.20315
23 4WQQ MAN 4.25532
24 3W6X HZP 4.36681
25 4AVV CD 4.41176
26 4MN7 SME 4.69799
27 2Q28 TPP 5.14184
28 2VHL GLP 5.30303
29 2VBF TPP 5.4386
30 4ZGR NGA GAL 5.66802
31 5LV1 78T 5.71429
32 1YBH P22 5.76271
33 1VKJ A3P 5.96491
34 3AHC TPP 5.96546
35 1T9D P22 6.12245
36 5WKC TP9 6.12245
37 2GGX NPJ 6.25
38 6BT4 KPM 6.43564
39 3AI7 TPP 7.53532
40 2UZ1 TPP 7.9929
41 2VK4 TPP 8.70337
42 4YEE 4CQ 8.88889
43 1QPB TPP 9.23623
44 1QPB PYM 9.23623
45 5JVB 2PO 11.4286
46 4PTZ FMN 12.0419
47 1QS0 TDP 13.0178
48 1RP7 TZD 13.9717
49 3DVA TPW 16
50 1W85 TDP 16.0494
51 1OLS TDP 24.8538
52 1UMD TDP COI 27.7778
53 2O1S TDP 31.8841
54 2OZL TPP 32.2581
55 3EXH TPP 37.9939
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