Receptor
PDB id Resolution Class Description Source Keywords
3EI9 1.55 Å EC: 2.6.1.83 CRYSTAL STRUCTURE OF K270N VARIANT OF LL-DIAMINOPIMELATE AMINOTRANSFERASE FROM ARABIDOPSIS THALIANA COMPLEXED WITH LE XTERNAL ALDIMINE FORM ARABIDOPSIS THALIANA AMINOTRANSFERASE LYSINE BIOSYNTHESIS PYRIDOXAL 5-prime PHOSPHATEXTERNAL ALDIMINE LL-DIAMINOPIMELATE CHLOROPLAST PYRIDOXPHOSPHATE TRANSFERASE TRANSIT PEPTIDE
Ref.: MECHANISM OF SUBSTRATE RECOGNITION AND PLP-INDUCED CONFORMATIONAL CHANGES IN LL-DIAMINOPIMELATE AMINOTRANSFERASE FROM ARABIDOPSIS THALIANA. J.MOL.BIOL. V. 384 1314 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:434;
A:435;
A:436;
B:434;
B:435;
B:436;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PL6 A:433;
B:433;
Valid;
Valid;
none;
none;
submit data
376.256 C13 H17 N2 O9 P Cc1c(...
SO4 A:437;
A:438;
B:437;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EI9 1.55 Å EC: 2.6.1.83 CRYSTAL STRUCTURE OF K270N VARIANT OF LL-DIAMINOPIMELATE AMINOTRANSFERASE FROM ARABIDOPSIS THALIANA COMPLEXED WITH LE XTERNAL ALDIMINE FORM ARABIDOPSIS THALIANA AMINOTRANSFERASE LYSINE BIOSYNTHESIS PYRIDOXAL 5-prime PHOSPHATEXTERNAL ALDIMINE LL-DIAMINOPIMELATE CHLOROPLAST PYRIDOXPHOSPHATE TRANSFERASE TRANSIT PEPTIDE
Ref.: MECHANISM OF SUBSTRATE RECOGNITION AND PLP-INDUCED CONFORMATIONAL CHANGES IN LL-DIAMINOPIMELATE AMINOTRANSFERASE FROM ARABIDOPSIS THALIANA. J.MOL.BIOL. V. 384 1314 2008
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Z1Z - MLT C4 H6 O5 C([C@H](C(....
2 3EIB - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 3EI8 - PL5 C15 H22 N3 O9 P Cc1c(c(c(c....
4 3EI6 - PL4 C15 H24 N3 O9 P Cc1c(c(c(c....
5 2Z20 - PLP C8 H10 N O6 P Cc1c(c(c(c....
6 3EI9 - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
7 3EI5 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
8 3EIA - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FL0 - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 2Z1Z - MLT C4 H6 O5 C([C@H](C(....
3 3EIB - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 3EI8 - PL5 C15 H22 N3 O9 P Cc1c(c(c(c....
5 3EI6 - PL4 C15 H24 N3 O9 P Cc1c(c(c(c....
6 2Z20 - PLP C8 H10 N O6 P Cc1c(c(c(c....
7 3EI9 - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
8 3EI5 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
9 3EIA - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FL0 - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 2Z1Z - MLT C4 H6 O5 C([C@H](C(....
3 3EIB - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 3EI8 - PL5 C15 H22 N3 O9 P Cc1c(c(c(c....
5 3EI6 - PL4 C15 H24 N3 O9 P Cc1c(c(c(c....
6 2Z20 - PLP C8 H10 N O6 P Cc1c(c(c(c....
7 3EI9 - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
8 3EI5 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
9 3EIA - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PL6; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 PL6 1 1
2 KOU 0.761194 0.87931
3 PL5 0.706667 0.913793
4 F0G 0.695652 0.909091
5 5DK 0.679487 0.854839
6 EQJ 0.679487 0.854839
7 P70 0.662338 0.910714
8 PUS 0.662338 0.776119
9 FEJ 0.64 0.862069
10 EPC 0.637681 0.872727
11 0JO 0.611111 0.87931
12 PLT 0.604651 0.836066
13 Z98 0.597403 0.883333
14 FEV 0.594595 0.847458
15 4LM 0.589041 0.862069
16 EVM 0.565789 0.864407
17 6DF 0.564103 0.824561
18 LLP 0.560976 0.868852
19 MET PLP 0.548781 0.774194
20 EXT 0.540541 0.910714
21 PLP 0.522388 0.818182
22 MPM 0.519481 0.859649
23 PLP PHE 0.517241 0.810345
24 PZP 0.514706 0.821429
25 AN7 0.506667 0.821429
26 HCP 0.506329 0.847458
27 P3D 0.506329 0.806452
28 FOO 0.5 0.859649
29 PLP 999 0.5 0.810345
30 P89 0.494253 0.784615
31 3QP 0.493671 0.888889
32 PDG 0.481928 0.825397
33 PGU 0.481928 0.825397
34 PFM 0.481928 0.847458
35 PLP PVH 0.478261 0.731343
36 KET 0.46988 0.929825
37 76U 0.453488 0.8125
38 O1G 0.450549 0.793651
39 EA5 0.448276 0.787879
40 N5F 0.448276 0.8125
41 PLS 0.433735 0.793651
42 PPD 0.428571 0.822581
43 PP3 0.426829 0.75
44 PDD 0.426829 0.75
45 PDA 0.426829 0.75
46 PLP MYB 0.425532 0.710145
47 QLP 0.425287 0.776119
48 PLG 0.425 0.793651
49 P0P 0.424658 0.785714
50 PY5 0.423529 0.772727
51 PLP PUT 0.423529 0.774194
52 2BK 0.416667 0.75
53 TLP 0.416667 0.75
54 2BO 0.416667 0.75
55 PLR 0.414286 0.767857
56 7XF 0.413793 0.796875
57 C6P 0.411765 0.793651
58 PXP 0.410959 0.716667
59 LPI 0.409091 0.73913
60 KAM 0.408602 0.784615
61 AQ3 0.40625 0.746269
62 PY6 0.404494 0.75
63 PLP 142 0.4 0.757576
64 ORX 0.4 0.784615
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EI9; Ligand: PL6; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 3ei9.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4JE5 PMP 4.39815
2 2HOX P1T 8.66511
3 4R5Z PMP 16.8937
4 5VEQ PMP 23.601
5 2X5D PLP 39.5631
Pocket No.: 2; Query (leader) PDB : 3EI9; Ligand: PL6; 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: 3ei9.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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