Receptor
PDB id Resolution Class Description Source Keywords
1zvw 2.3 Å EC: 2.4.2.18 THE CRYSTAL STRUCTURE OF TRPD (RV2192C) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH PRPP AND MAGNESIUM MYCOBACTERIUM TUBERCULOSIS ANTHRANILATE PHOSPHORIBOSYL TRANSFERASE STRUCTURAL GENOMICSPROTEIN STRUCTURE INITIATIVE MYCOBACTERIUM TUBERCULOSIS STPROTEOMICS PROJECT TB STRUCTURAL GENOMICS CONSORTIUM TBSGTRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF TRPD, A METABOLIC ENZYME E FOR LUNG COLONIZATION BY MYCOBACTERIUM TUBERCULOSIS COMPLEX WITH ITS SUBSTRATE PHOSPHORIBOSYLPYROPHOSPH J.MOL.BIOL. V. 355 784 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BAM A:5001;
 Invalid;
 none;
 submit data
121.16 C7 H9 N2 c1ccc...
MG A:4001;
A:6001;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
PRP A:3966;
 Valid;
 none;
 submit data
390.07 C5 H13 O14 P3 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZVW 2.3 Å EC: 2.4.2.18 THE CRYSTAL STRUCTURE OF TRPD (RV2192C) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH PRPP AND MAGNESIUM MYCOBACTERIUM TUBERCULOSIS ANTHRANILATE PHOSPHORIBOSYL TRANSFERASE STRUCTURAL GENOMICSPROTEIN STRUCTURE INITIATIVE MYCOBACTERIUM TUBERCULOSIS STPROTEOMICS PROJECT TB STRUCTURAL GENOMICS CONSORTIUM TBSGTRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF TRPD, A METABOLIC ENZYME E FOR LUNG COLONIZATION BY MYCOBACTERIUM TUBERCULOSIS COMPLEX WITH ITS SUBSTRATE PHOSPHORIBOSYLPYROPHOSPH J.MOL.BIOL. V. 355 784 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ZVW - PRP C5 H13 O14 P3 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ZVW - PRP C5 H13 O14 P3 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ZVW - PRP C5 H13 O14 P3 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRP; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 RI2 0.695652 0.975
3 PPC 0.615385 0.930233
4 G16 0.588235 0.883721
5 A6P 0.5 0.880952
6 M6D 0.5 0.880952
7 BG6 0.5 0.880952
8 BGP 0.5 0.880952
9 HSX 0.5 0.975
10 M6P 0.5 0.880952
11 G6P 0.5 0.880952
12 AHG 0.5 0.904762
13 RP5 0.5 0.975
14 ABF 0.5 0.975
15 GRF 0.45098 0.745098
16 FDQ 0.425926 0.883721
17 RF5 0.415094 0.863636
18 50A 0.415094 0.863636
19 R1P 0.411765 0.951219
20 GLP 0.410714 0.74
21 4R1 0.410714 0.74
Similar Ligands (3D)
Ligand no: 1; Ligand: PRP; Similar ligands found: 8
No: Ligand Similarity coefficient
1 PCP 0.9849
2 1RB 0.8784
3 7RP 0.8765
4 7RA 0.8712
5 AAM 0.8705
6 P2P 0.8678
7 RMB 0.8657
8 RBZ 0.8635
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZVW; Ligand: PRP; 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: 1zvw.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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