Receptor
PDB id Resolution Class Description Source Keywords
3E2Y 2.26 Å EC: 2.6.1.7 CRYSTAL STRUCTURE OF MOUSE KYNURENINE AMINOTRANSFERASE III I WITH GLUTAMINE MUS MUSCULUS ALPHA BETA PROTEIN PLP DEPENDENT PROTEIN AMINOTRANSFERASEPYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: CORRECTION FOR HAN ET AL., "BIOCHEMICAL AND STRUCTU PROPERTIES OF MOUSE KYNURENINE AMINOTRANSFERASE III MOL. CELL. BIOL. V. 38 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:458;
A:459;
B:458;
B:459;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PMP A:457;
B:456;
Valid;
Valid;
none;
none;
submit data
248.173 C8 H13 N2 O5 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5VEQ 2.26 Å EC: 2.6.1.7 MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE STRUCTURE 3E2Y MUS MUSCULUS AMINOTRANSFERASE III MOUSE RE-REFINEMENT TRANSFERASE
Ref.: DETECT, CORRECT, RETRACT: HOW TO MANAGE INCORRECT S MODELS. FEBS J. V. 285 444 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3E2Y - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 5VEQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3E2Y - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 5VEQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YIY - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 2R5E - QLP C13 H20 N3 O8 P Cc1c(c(c(c....
3 3E2Y - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 5VEQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3FVU - IAC C10 H9 N O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP 1 1
2 PXP 0.7 0.888889
3 GT1 0.673077 0.793103
4 PLG 0.57377 0.866667
5 IN5 0.57377 0.912281
6 P1T 0.571429 0.825397
7 CKT 0.5625 0.85
8 PLR 0.557692 0.781818
9 TLP 0.553846 0.881356
10 2BK 0.553846 0.881356
11 2BO 0.553846 0.881356
12 PDA 0.546875 0.881356
13 PDD 0.546875 0.881356
14 PP3 0.546875 0.881356
15 ILP 0.544118 0.852459
16 IK2 0.538462 0.825397
17 33P 0.538462 0.896552
18 5PA 0.530303 0.825397
19 PLS 0.530303 0.866667
20 PMH 0.530303 0.742857
21 PLP 0.527273 0.767857
22 C6P 0.522388 0.866667
23 PPD 0.522388 0.866667
24 ORX 0.521127 0.854839
25 PXM 0.52 0.735849
26 PZP 0.517857 0.836364
27 PLA 0.514706 0.8125
28 PY5 0.514706 0.8125
29 PL2 0.514286 0.84127
30 QLP 0.514286 0.815385
31 PE1 0.513889 0.854839
32 PPG 0.513514 0.825397
33 P0P 0.508772 0.8
34 HEY 0.507042 0.8125
35 3LM 0.5 0.787879
36 7TS 0.5 0.702703
37 EA5 0.5 0.828125
38 7XF 0.5 0.83871
39 CBA 0.5 0.83871
40 PGU 0.5 0.83871
41 PDG 0.5 0.83871
42 9YM 0.493151 0.868852
43 DCS 0.492958 0.712329
44 LCS 0.492958 0.675676
45 LPI 0.492958 0.776119
46 PMG 0.492958 0.787879
47 76U 0.486111 0.825397
48 PY6 0.486111 0.787879
49 PL4 0.48 0.854839
50 N5F 0.479452 0.825397
51 PSZ 0.479452 0.8
52 4LM 0.462687 0.725806
53 0JO 0.462687 0.714286
54 AN7 0.461538 0.741379
55 PXG 0.460526 0.866667
56 RW2 0.460526 0.8
57 PL8 0.454545 0.732394
58 FOO 0.454545 0.75
59 NPL 0.45 0.898305
60 FEV 0.449275 0.714286
61 KAM 0.448718 0.825397
62 RMT 0.448718 0.765625
63 1D0 0.444444 0.8
64 2B1 0.443038 0.690141
65 DN9 0.443038 0.742857
66 7B9 0.443038 0.764706
67 EVM 0.442857 0.786885
68 P3D 0.442857 0.85
69 EPC 0.439394 0.789474
70 MP5 0.438596 0.728814
71 PLP CYS 0.43662 0.836066
72 EXT 0.432836 0.79661
73 AQ3 0.426829 0.8125
74 2B6 0.426829 0.662162
75 MPM 0.414286 0.75
76 F0G 0.414286 0.762712
77 PLP 2TL 0.410959 0.85
78 KOU 0.408451 0.8
79 PLP SEP 0.405405 0.85
80 PLP BH2 0.405405 0.85
81 SEP PLP 0.405405 0.85
82 HCP 0.402778 0.741935
83 LEU PLP 0.4 0.822581
84 Z98 0.4 0.777778
85 PFM 0.4 0.770492
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: 21
This union binding pocket(no: 1) in the query (biounit: 5veq.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2HOX P1T 1.94647
2 2HOX P1T 1.94647
3 2HOX P1T 1.94647
4 2HOX P1T 1.94647
5 2HOX P1T 1.94647
6 2HOX P1T 1.94647
7 3EI9 PL6 23.601
8 3EI9 PL6 23.601
9 1GEX PLP HSA 23.8764
10 2ZC0 PMP 28.9926
11 2ZC0 PMP 28.9926
12 2ZC0 PMP 28.9926
13 2ZC0 PMP 28.9926
14 1GCK ASP PLP 44.6753
15 1GCK ASP PLP 44.6753
16 6F77 PLP 44.75
17 6F77 PLP 44.75
18 6F77 PLP 44.75
19 6F77 PLP 44.75
20 1GDE GLU PLP 46.7866
21 1GDE GLU PLP 46.7866
Pocket No.: 2; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: 15
This union binding pocket(no: 2) in the query (biounit: 5veq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2HOX P1T 1.94647
2 2HOX P1T 1.94647
3 3EI9 PL6 23.601
4 1GEX PLP HSA 23.8764
5 4R5Z PMP 26.9755
6 4R5Z PMP 26.9755
7 2ZC0 PMP 28.9926
8 2ZC0 PMP 28.9926
9 2ZC0 PMP 28.9926
10 1GCK ASP PLP 44.6753
11 1GCK ASP PLP 44.6753
12 6F77 PLP 44.75
13 6F77 PLP 44.75
14 1GDE GLU PLP 46.7866
15 1GDE GLU PLP 46.7866
Pocket No.: 3; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: 18
This union binding pocket(no: 3) in the query (biounit: 5veq.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2HOX P1T 1.94647
2 2HOX P1T 1.94647
3 2HOX P1T 1.94647
4 2HOX P1T 1.94647
5 2HOX P1T 1.94647
6 3EI9 PL6 23.601
7 3EI9 PL6 23.601
8 1GEX PLP HSA 23.8764
9 2ZC0 PMP 28.9926
10 2ZC0 PMP 28.9926
11 1GCK ASP PLP 44.6753
12 1GCK ASP PLP 44.6753
13 6F77 PLP 44.75
14 6F77 PLP 44.75
15 6F77 PLP 44.75
16 6F77 PLP 44.75
17 1GDE GLU PLP 46.7866
18 1GDE GLU PLP 46.7866
Pocket No.: 4; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5veq.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: 12
This union binding pocket(no: 5) in the query (biounit: 5veq.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2HOX P1T 1.94647
2 3EI9 PL6 23.601
3 1GEX PLP HSA 23.8764
4 4R5Z PMP 26.9755
5 2ZC0 PMP 28.9926
6 2ZC0 PMP 28.9926
7 1GCK ASP PLP 44.6753
8 1GCK ASP PLP 44.6753
9 6F77 PLP 44.75
10 6F77 PLP 44.75
11 1GDE GLU PLP 46.7866
12 1GDE GLU PLP 46.7866
Pocket No.: 6; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5veq.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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