Receptor
PDB id Resolution Class Description Source Keywords
4azj 1.5 Å EC: 2.6.1.52 STRUCTURAL BASIS OF L-PHOSPHOSERINE BINDING TO BACILLUS ALCA PHOSPHOSERINE AMINOTRANSFERASE BACILLUS ALCALOPHILUS TRANSFERASE
Ref.: STRUCTURAL BASIS OF L-PHOSPHOSERINE BINDING TO BACI ALCALOPHILUS PHOSPHOSERINE AMINOTRANSFERASE ACTA CRYSTALLOGR.,SECT.D V. 69 804 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SEP PLP B:500;
A:500;
 Valid;
Valid;
 none;
none;
 submit data
412.184 n/a P(=O)...
CL B:1361;
A:1361;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
NA A:1362;
A:1363;
B:1362;
 Invalid;
Part of Protein;
Invalid;
 none;
none;
none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AZJ 1.5 Å EC: 2.6.1.52 STRUCTURAL BASIS OF L-PHOSPHOSERINE BINDING TO BACILLUS ALCA PHOSPHOSERINE AMINOTRANSFERASE BACILLUS ALCALOPHILUS TRANSFERASE
Ref.: STRUCTURAL BASIS OF L-PHOSPHOSERINE BINDING TO BACI ALCALOPHILUS PHOSPHOSERINE AMINOTRANSFERASE ACTA CRYSTALLOGR.,SECT.D V. 69 804 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4AZJ - SEP PLP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4AZJ - SEP PLP n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6CZY - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 4AZJ - SEP PLP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SEP PLP; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 SEP PLP 1 1
2 PLP CYS 0.791045 0.95
3 LEU PLP 0.757143 0.934426
4 GLU PLP 0.736111 0.934426
5 PLP SER 0.720588 0.916667
6 TYR PLP 0.688312 0.95
7 PLP 2TL 0.680556 0.933333
8 PLP BH2 0.671233 0.933333
9 PLP HSA 0.578313 0.846154
10 PLP 0A0 0.564103 0.904762
11 PLP 2ML 0.5625 0.904762
12 PLP PMP 0.521739 0.896552
13 ASP PLP 0.506173 0.864407
14 PLP 2KZ 0.5 0.885246
15 CAN PLP 0.488372 0.876923
16 ACZ PLP 0.446809 0.904762
17 GAB PLP 0.444444 0.870968
18 PLP ALO 0.418605 0.786885
19 SER PLP 0.406977 0.833333
20 PMP 0.405405 0.85
Similar Ligands (3D)
Ligand no: 1; Ligand: SEP PLP; Similar ligands found: 17
No: Ligand Similarity coefficient
1 PL6 0.9447
2 QLP 0.9406
3 PDG 0.9386
4 PGU 0.9241
5 PY6 0.9173
6 PPG 0.9125
7 3LM 0.9117
8 RW2 0.9053
9 PPD 0.8952
10 PY5 0.8935
11 N5F 0.8916
12 7XF 0.8892
13 RMT 0.8888
14 PPE 0.8785
15 KET 0.8718
16 3QP 0.8685
17 P70 0.8620
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AZJ; Ligand: SEP PLP; 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: 4azj.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4AZJ; Ligand: SEP PLP; 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: 4azj.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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