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 1 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 1 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 1 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
Ligand no: 1; Ligand: N5F; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 N5F 1 1
2 PGU 0.84058 0.983871
3 PDG 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 2BO 0.662162 0.875
16 TLP 0.662162 0.875
17 2BK 0.662162 0.875
18 PP3 0.657534 0.875
19 PDD 0.657534 0.875
20 PDA 0.657534 0.875
21 76U 0.653846 0.9375
22 AQ3 0.635294 0.865672
23 ILP 0.628205 0.876923
24 KAM 0.626506 0.9375
25 EA5 0.604938 0.938462
26 PLG 0.594595 0.920635
27 IN5 0.594595 0.84375
28 IK2 0.564103 0.878788
29 PLA 0.5625 0.893939
30 PMG 0.560976 0.924242
31 P1T 0.551282 0.878788
32 CBA 0.548781 0.835821
33 5PA 0.5375 0.907692
34 33P 0.525 0.830769
35 PPE 0.511905 0.968254
36 PSZ 0.511628 0.774648
37 PXP 0.507042 0.761905
38 HEY 0.5 0.923077
39 3LM 0.494253 0.814286
40 PL2 0.488372 0.838235
41 DCS 0.488372 0.74026
42 PMH 0.481928 0.679487
43 PMP 0.479452 0.825397
44 RW2 0.477778 0.852941
45 PXG 0.477778 0.833333
46 GT1 0.472973 0.686567
47 7TS 0.45977 0.6875
48 PL6 0.448276 0.8125
49 PL8 0.44086 0.833333
50 9YM 0.43956 0.808824
51 7B9 0.431579 0.869565
52 1D0 0.418367 0.826087
53 Z98 0.411111 0.833333
54 PLR 0.410959 0.671875
55 PLP 2KZ 0.409091 0.80303
56 F0G 0.406977 0.738462
57 LLP 0.404255 0.876923
58 CAN PLP 0.404255 0.880597
59 P0P 0.402597 0.714286
60 KOU 0.402299 0.8
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: 9
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 2HOX P1T 9.36768
3 3CQ5 PMP 18.6398
4 2X5F PLP 25.6927
5 4R5Z PMP 31.0627
6 1XI9 PLP 35.0126
7 4FL0 PLP 35.5164
8 2X5D PLP 37.7834
9 4JE5 PMP 47.8589
Pocket No.: 2; Query (leader) PDB : 2ZYJ; Ligand: PGU; 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: 2zyj.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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