Receptor
PDB id Resolution Class Description Source Keywords
1KGZ 2.4 Å EC: 2.4.2.18 CRYSTAL STRUCTURE ANALYSIS OF THE ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE FROM ERWINIA CAROTOVORA (CURRENT N AME, PECTOBACTERIUM CAROTOVORUM) PECTOBACTERIUM CAROTOVORUM TYPE 3 PRT FOLD NUCLEOTIDE BINDING FOLD TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE FROM THE ENTEROBACTERIUM PECTOBACTERIUM CAROTOVORUM FEBS LETT. V. 523 239 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:500;
A:501;
B:500;
B:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
PRP A:600;
B:700;
Valid;
Valid;
none;
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
1KGZ 2.4 Å EC: 2.4.2.18 CRYSTAL STRUCTURE ANALYSIS OF THE ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE FROM ERWINIA CAROTOVORA (CURRENT N AME, PECTOBACTERIUM CAROTOVORUM) PECTOBACTERIUM CAROTOVORUM TYPE 3 PRT FOLD NUCLEOTIDE BINDING FOLD TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE FROM THE ENTEROBACTERIUM PECTOBACTERIUM CAROTOVORUM FEBS LETT. V. 523 239 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1KGZ - 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 1KGZ - 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 1KGZ - PRP C5 H13 O14 P3 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 PPC 0.615385 0.930233
3 G16 0.588235 0.883721
4 M6P 0.5 0.880952
5 HSX 0.5 0.975
6 M6D 0.5 0.880952
7 T6P 0.5 0.804348
8 BGP 0.5 0.880952
9 G6P 0.5 0.880952
10 AHG 0.5 0.904762
11 RP5 0.5 0.975
12 ABF 0.5 0.975
13 A6P 0.5 0.880952
14 BG6 0.5 0.880952
15 GRF 0.45098 0.745098
16 P3M 0.426471 0.804348
17 FDQ 0.425926 0.883721
18 RF5 0.415094 0.863636
19 50A 0.415094 0.863636
20 R1P 0.411765 0.951219
21 GLP 0.410714 0.74
22 4R1 0.410714 0.74
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KGZ; Ligand: PRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1kgz.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1KGZ; Ligand: PRP; Similar sites found: 29
This union binding pocket(no: 2) in the query (biounit: 1kgz.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FEC FAD 0.02177 0.42177 1.44928
2 2YVF NAD 0.03264 0.42141 1.44928
3 2YVF FAD 0.0318 0.42141 1.44928
4 4BAS GNP 0.04733 0.4033 1.50754
5 3WCS MAN NAG 0.01722 0.40085 1.5748
6 4MCC 21X 0.009924 0.41778 2.03252
7 2HXW FLC 0.01464 0.40436 2.1097
8 1I8T FAD 0.02598 0.41182 2.31884
9 1N4W FAD 0.03545 0.4083 2.31884
10 2UYQ SAM 0.009227 0.41606 2.58065
11 5G3U ITW 0.02313 0.41879 2.6087
12 5TE1 7A2 0.00996 0.40804 2.89855
13 4CNG SAH 0.007743 0.42448 3.13725
14 2OG2 MLI 0.009013 0.42445 3.18841
15 3B9Q MLI 0.01382 0.41753 3.64238
16 2CZL TLA 0.01556 0.41083 4.77941
17 1PKX XMP 0.01217 0.40891 4.92754
18 2BNF UTP 0.01537 0.40708 5.39419
19 1P9B HDA 0.008557 0.41851 5.50725
20 1PS9 FAD 0.02164 0.41772 5.7971
21 3GDN HBX 0.04844 0.4064 5.7971
22 1XPJ TLA 0.002172 0.43506 6.34921
23 1GET FAD 0.01262 0.44603 6.88889
24 1GET NAP 0.01327 0.44603 6.88889
25 1NVM NAD 0.02442 0.4072 7.53623
26 4YRY FAD 0.03237 0.40953 9.78261
27 4YRY NAD 0.04488 0.40953 9.78261
28 3W6G FLC 0.01698 0.4041 10.6481
29 5C2N NAG 0.01862 0.40182 12.5
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