Receptor
PDB id Resolution Class Description Source Keywords
2z1y 1.75 Å EC: 2.6.1.39 CRYSTAL STRUCTURE OF LYSN, ALPHA-AMINOADIPATE AMINOTRANSFERA (COMPLEXED WITH N-(5'-PHOSPHOPYRIDOXYL)-L-LEUCINE), FROM THT HERMOPHILUS HB27 THERMUS THERMOPHILUS ALPHA-AMINOADIPATE AMINOTRANSFERASE THERMUS THERMOPHILUS SSPECIFITY TRANSFERASE
Ref.: MECHANISM OF BROAD SUBSTRATE SPECIFICITY OF ALPHA-AMINOADIPATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LEU PLP B:401;
 Valid;
 none;
 submit data
360.303 n/a P(=O)...
PLP A:1400;
 Invalid;
 none;
 submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZYJ 1.67 Å EC: 2.6.1.39 CRYSTAL STRUCTURE OF LYSN, ALPHA-AMINOADIPATE AMINOTRANSFERA (COMPLEXED WITH N-(5'-PHOSPHOPYRIDOXYL)-L-GLUTAMATE), FROM T HERMOPHILUS HB27 THERMUS THERMOPHILUS ALPHA-AMINOADIPATE AMINOTRANSFERASE THERMUS THERMOPHILUS AMINOTRANSFERASE TRANSFERASE
Ref.: DUAL ROLES OF A CONSERVED PAIR, ARG23 AND SER20, IN RECOGNITION OF MULTIPLE SUBSTRATES IN ALPHA-AMINOAD AMINOTRANSFERASE FROM THERMUS THERMOPHILUS. BIOCHEM.BIOPHYS.RES.COMMUN. V. 388 21 2009
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CBF - N5F C14 H21 N2 O9 P Cc1c(c(c(c....
2 2ZP7 - LEU C6 H13 N O2 CC(C)C[C@@....
3 2ZYJ - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
4 2Z1Y - LEU PLP n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CBF - N5F C14 H21 N2 O9 P Cc1c(c(c(c....
2 2ZP7 - LEU C6 H13 N O2 CC(C)C[C@@....
3 2ZYJ - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
4 2Z1Y - LEU PLP n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3DC1 - AKG C5 H6 O5 C(CC(=O)O)....
2 4GEB - 0LD C20 H20 N5 O7 P Cc1c(c(c(c....
3 2XH1 - BF5 PLP n/a n/a
4 6T8P ic50 = 880 nM MVT C19 H18 F3 N3 O2 S2 CC(C)[C@@H....
5 2R2N - KYN C10 H12 N2 O3 c1ccc(c(c1....
6 2Z1Y - LEU PLP n/a n/a
7 2ZC0 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 6HNU - PLP PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LEU PLP; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU PLP 1 1
2 PLP CYS 0.779412 0.919355
3 SEP PLP 0.757143 0.934426
4 PLP SER 0.735294 0.918033
5 GLU PLP 0.726027 0.904762
6 TYR PLP 0.701299 0.919355
7 PLP 2TL 0.694444 0.903226
8 PLP BH2 0.662162 0.873016
9 PLP 2ML 0.594937 0.967742
10 PLP 0A0 0.556962 0.936508
11 PLP HSA 0.552941 0.820895
12 PLP PMP 0.514286 0.866667
13 ASP PLP 0.5 0.836066
14 PLP 2KZ 0.493827 0.857143
15 CAN PLP 0.482759 0.850746
16 ACZ PLP 0.427083 0.876923
17 GAB PLP 0.423913 0.84375
18 PLP ALO 0.413793 0.761905
19 SER PLP 0.402299 0.777778
20 PMP 0.4 0.822581
Similar Ligands (3D)
Ligand no: 1; Ligand: LEU PLP; Similar ligands found: 30
No: Ligand Similarity coefficient
1 PGU 0.9341
2 PPE 0.9205
3 7XF 0.9201
4 PY6 0.9177
5 PLS 0.9019
6 3LM 0.9017
7 LCS 0.8971
8 N5F 0.8932
9 PL6 0.8923
10 QLP 0.8890
11 PY5 0.8865
12 PPG 0.8851
13 4LM 0.8850
14 TLP 0.8833
15 5PA 0.8804
16 FEJ 0.8802
17 ILP 0.8794
18 HCP 0.8776
19 PPD 0.8763
20 C6P 0.8754
21 PDG 0.8737
22 KOU 0.8733
23 FEV 0.8702
24 PP3 0.8699
25 PDA 0.8693
26 0JO 0.8652
27 3QP 0.8645
28 DCS 0.8643
29 PLP PHE 0.8637
30 P1T 0.8637
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZYJ; Ligand: PGU; Similar sites found with APoc: 20
This union binding pocket(no: 1) in the query (biounit: 2zyj.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3BWN PMP 7.41688
2 3BWN PMP 7.41688
3 3BWN PMP 7.41688
4 2HOX P1T 9.36768
5 2HOX P1T 9.36768
6 3CQ5 PMP 18.6398
7 3CQ5 PMP 18.6398
8 2X5F PLP 25.6927
9 2X5F PLP 25.6927
10 4R5Z PMP 31.0627
11 1XI9 PLP 35.0126
12 1XI9 PLP 35.0126
13 1XI9 PLP 35.0126
14 1XI9 PLP 35.0126
15 1XI9 PLP 35.0126
16 1XI9 PLP 35.0126
17 4FL0 PLP 35.5164
18 4FL0 PLP 35.5164
19 2X5D PLP 37.7834
20 6F77 PLP 37.7834
Pocket No.: 2; Query (leader) PDB : 2ZYJ; Ligand: PGU; Similar sites found with APoc: 22
This union binding pocket(no: 2) in the query (biounit: 2zyj.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 3BWN PMP 7.41688
2 3BWN PMP 7.41688
3 3BWN PMP 7.41688
4 2HOX P1T 9.36768
5 2HOX P1T 9.36768
6 3CQ5 PMP 18.6398
7 3CQ5 PMP 18.6398
8 2X5F PLP 25.6927
9 2X5F PLP 25.6927
10 4R5Z PMP 31.0627
11 1XI9 PLP 35.0126
12 1XI9 PLP 35.0126
13 1XI9 PLP 35.0126
14 1XI9 PLP 35.0126
15 1XI9 PLP 35.0126
16 1XI9 PLP 35.0126
17 4FL0 PLP 35.5164
18 4FL0 PLP 35.5164
19 2X5D PLP 37.7834
20 6F77 PLP 37.7834
21 6F77 PLP 37.7834
22 6F77 PLP 37.7834
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