Receptor
PDB id Resolution Class Description Source Keywords
3CBF 1.67 Å EC: 2.6.1.39 CRYSTAL STRUCTURE OF LYSN, ALPHA-AMINOADIPATE AMINOTRANSFERASE, FROM THERMUS THERMOPHILUS HB27 THERMUS THERMOPHILUS ALPHA-AMINOADIPATE AMINOTRANSFERASE THERMUS THERMOPHILUS SUBSTRATE SPECIFITY
Ref.: MECHANISM FOR MULTIPLE-SUBSTRATES RECOGNITION OF ALPHA-AMINOADIPATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS PROTEINS 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
N5F A:500;
B:501;
Valid;
Valid;
none;
none;
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392.298 C14 H21 N2 O9 P Cc1c(...
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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 (3)
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....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: N5F; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 N5F 1 1
2 PDG 0.84058 0.983871
3 PGU 0.84058 0.983871
4 PY6 0.816901 0.924242
5 ORX 0.805556 0.968254
6 PE1 0.794521 0.968254
7 PY5 0.785714 0.923077
8 QLP 0.777778 0.924242
9 PL4 0.773333 0.968254
10 7XF 0.763889 0.952381
11 LPI 0.753425 0.882353
12 PPD 0.746479 0.951613
13 PLS 0.732394 0.920635
14 C6P 0.722222 0.920635
15 0PR 0.6625 0.90625
16 2BO 0.662162 0.875
17 TLP 0.662162 0.875
18 2BK 0.662162 0.875
19 PP3 0.657534 0.875
20 PDA 0.657534 0.875
21 PDD 0.657534 0.875
22 76U 0.653846 0.9375
23 AQ3 0.635294 0.865672
24 ILP 0.628205 0.876923
25 KAM 0.626506 0.9375
26 EA5 0.604938 0.938462
27 IN5 0.594595 0.84375
28 PLG 0.594595 0.920635
29 IK2 0.564103 0.878788
30 PLA 0.5625 0.893939
31 PMG 0.560976 0.924242
32 P1T 0.551282 0.878788
33 CBA 0.548781 0.835821
34 5PA 0.5375 0.907692
35 33P 0.525 0.830769
36 PPE 0.511905 0.968254
37 PSZ 0.511628 0.774648
38 PXP 0.507042 0.761905
39 HEY 0.5 0.923077
40 DN9 0.494505 0.871429
41 3LM 0.494253 0.814286
42 PL2 0.488372 0.838235
43 DCS 0.488372 0.74026
44 PMH 0.481928 0.679487
45 PMP 0.479452 0.825397
46 PXG 0.477778 0.833333
47 RW2 0.477778 0.852941
48 GT1 0.472973 0.686567
49 7TS 0.45977 0.6875
50 CKT 0.452381 0.846154
51 PL6 0.448276 0.8125
52 PL8 0.44086 0.833333
53 9YM 0.43956 0.808824
54 7B9 0.431579 0.869565
55 1D0 0.418367 0.826087
56 Z98 0.411111 0.833333
57 PLR 0.410959 0.671875
58 PLP 2KZ 0.409091 0.80303
59 F0G 0.406977 0.738462
60 CAN PLP 0.404255 0.880597
61 P0P 0.402597 0.714286
62 KOU 0.402299 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: N5F; Similar ligands found: 3
No: Ligand Similarity coefficient
1 LEU PLP 0.8932
2 SEP PLP 0.8916
3 PPG 0.8873
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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