Receptor
PDB id Resolution Class Description Source Keywords
5CSS 2.17 Å EC: 5.3.1.1 CRYSTAL STRUCTURE OF TRIOSEPHOSPHATE ISOMERASE FROM THERMOPL ACIDOPHILUM WITH GLYCEROL 3-PHOSPHATE THERMOPLASMA ACIDOPHILUM (STRAIN ATCC DSM 1728 / JCM 9062 / NBRC 15155 / AMRC-C165) TRIOSEPHOSPHATE ISOMERASE THERMOPLASMA ACIDOPHILUM TIM TPGLYCEROL 3-PHOSPHATE ISOMERASE
Ref.: STRUCTURE AND STABILITY OF THE DIMERIC TRIOSEPHOSPH ISOMERASE FROM THE THERMOPHILIC ARCHAEON THERMOPLAS ACIDOPHILUM. PLOS ONE V. 10 45331 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G3P C:301;
B:301;
D:301;
A:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
172.074 C3 H9 O6 P C([C@...
CL B:302;
D:302;
A:302;
C:302;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CSS 2.17 Å EC: 5.3.1.1 CRYSTAL STRUCTURE OF TRIOSEPHOSPHATE ISOMERASE FROM THERMOPL ACIDOPHILUM WITH GLYCEROL 3-PHOSPHATE THERMOPLASMA ACIDOPHILUM (STRAIN ATCC DSM 1728 / JCM 9062 / NBRC 15155 / AMRC-C165) TRIOSEPHOSPHATE ISOMERASE THERMOPLASMA ACIDOPHILUM TIM TPGLYCEROL 3-PHOSPHATE ISOMERASE
Ref.: STRUCTURE AND STABILITY OF THE DIMERIC TRIOSEPHOSPH ISOMERASE FROM THE THERMOPHILIC ARCHAEON THERMOPLAS ACIDOPHILUM. PLOS ONE V. 10 45331 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 5CSS - G3P C3 H9 O6 P C([C@H](CO....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5CSS - G3P C3 H9 O6 P C([C@H](CO....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5CSS - G3P C3 H9 O6 P C([C@H](CO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G3P; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 G3P 1 1
2 1GP 1 1
3 GP9 0.551724 0.90625
4 GPE 0.514286 0.731707
5 M2P 0.5 0.882353
6 GOS 0.5 0.882353
7 LX1 0.484848 0.828571
8 A5P 0.484848 0.911765
9 DX5 0.484848 0.911765
10 LXP 0.484848 0.911765
11 HG3 0.482759 0.90625
12 S6P 0.470588 0.939394
13 DXP 0.457143 0.828571
14 G3H 0.4375 0.848485
15 3PG 0.4375 0.852941
16 D5X 0.432432 0.805556
17 CH5 0.425 0.6
18 EFS 0.423077 0.69697
19 M6R 0.421053 0.756098
20 AGP 0.421053 0.756098
21 GSE 0.414634 0.714286
22 E4P 0.411765 0.878788
23 R52 0.405405 0.828571
24 DG6 0.405405 0.885714
25 TX4 0.405405 0.630435
26 R5P 0.405405 0.828571
27 FQ8 0.4 0.885714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CSS; Ligand: G3P; 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: 5css.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CSS; Ligand: G3P; 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: 5css.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5CSS; Ligand: G3P; 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: 5css.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5CSS; Ligand: G3P; 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: 5css.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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