Receptor
PDB id Resolution Class Description Source Keywords
3JDW 2.4 Å EC: 2.1.4.1 CRYSTAL STRUCTURE AND MECHANISM OF L-ARGININE: GLYCINE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED IN CREAB IOSYNTHESIS HOMO SAPIENS TRANSFERASE CREATINE BIOSYNTHESIS CATALYTIC TRIAD REACTIOMECHANISM NOVEL FOLD FIVEFOLD PSEUDOSYMMETRY
Ref.: CRYSTAL STRUCTURE AND MECHANISM OF HUMAN L-ARGININE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED CREATINE BIOSYNTHESIS. EMBO J. V. 16 3373 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ORN A:500;
Valid;
none;
Ki = 253 uM
132.161 C5 H12 N2 O2 C(C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3JDW 2.4 Å EC: 2.1.4.1 CRYSTAL STRUCTURE AND MECHANISM OF L-ARGININE: GLYCINE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED IN CREAB IOSYNTHESIS HOMO SAPIENS TRANSFERASE CREATINE BIOSYNTHESIS CATALYTIC TRIAD REACTIOMECHANISM NOVEL FOLD FIVEFOLD PSEUDOSYMMETRY
Ref.: CRYSTAL STRUCTURE AND MECHANISM OF HUMAN L-ARGININE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED CREATINE BIOSYNTHESIS. EMBO J. V. 16 3373 1997
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JDX - NVA C5 H11 N O2 CCC[C@@H](....
2 9JDW - ABA C4 H9 N O2 CC[C@@H](C....
3 8JDW - ALA C3 H7 N O2 C[C@@H](C(....
4 6JDW - ABU C4 H9 N O2 C(CC(=O)O)....
5 4JDW - ARG C6 H15 N4 O2 C(C[C@@H](....
6 7JDW - DAV C5 H12 N O2 C(CC[NH3+]....
7 3JDW Ki = 253 uM ORN C5 H12 N2 O2 C(C[C@@H](....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JDX - NVA C5 H11 N O2 CCC[C@@H](....
2 9JDW - ABA C4 H9 N O2 CC[C@@H](C....
3 8JDW - ALA C3 H7 N O2 C[C@@H](C(....
4 6JDW - ABU C4 H9 N O2 C(CC(=O)O)....
5 4JDW - ARG C6 H15 N4 O2 C(C[C@@H](....
6 7JDW - DAV C5 H12 N O2 C(CC[NH3+]....
7 3JDW Ki = 253 uM ORN C5 H12 N2 O2 C(C[C@@H](....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JDX - NVA C5 H11 N O2 CCC[C@@H](....
2 9JDW - ABA C4 H9 N O2 CC[C@@H](C....
3 8JDW - ALA C3 H7 N O2 C[C@@H](C(....
4 6JDW - ABU C4 H9 N O2 C(CC(=O)O)....
5 4JDW - ARG C6 H15 N4 O2 C(C[C@@H](....
6 7JDW - DAV C5 H12 N O2 C(CC[NH3+]....
7 3JDW Ki = 253 uM ORN C5 H12 N2 O2 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ORN; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 ORN 1 1
2 DLY 0.714286 0.961538
3 API 0.653846 0.785714
4 DAB 0.615385 0.888889
5 NLE 0.566667 0.724138
6 2YH 0.564103 0.757576
7 11C 0.548387 0.724138
8 UN1 0.548387 0.724138
9 0TF 0.536585 0.714286
10 LYS 0.53125 0.925926
11 DHH 0.53125 0.7
12 NPI 0.515152 0.7
13 ONH 0.515152 0.735294
14 6CL 0.5 0.758621
15 26P 0.5 0.65625
16 HSE 0.5 0.733333
17 2RA 0.5 0.785714
18 CIR 0.485714 0.735294
19 NVA 0.482759 0.714286
20 HCS 0.482759 0.814815
21 MLY 0.472222 0.631579
22 ARG 0.472222 0.757576
23 2NP 0.472222 0.6
24 MLZ 0.472222 0.757576
25 DAR 0.472222 0.757576
26 CUW 0.470588 0.833333
27 2YJ 0.465116 0.714286
28 2YG 0.454545 0.714286
29 MSE 0.454545 0.636364
30 GLU 0.451613 0.689655
31 DGL 0.451613 0.689655
32 DGN 0.451613 0.677419
33 GGL 0.451613 0.689655
34 GLN 0.451613 0.677419
35 DSN 0.444444 0.689655
36 DBB 0.444444 0.666667
37 ABA 0.444444 0.666667
38 SER 0.444444 0.689655
39 5CT 0.44186 0.735294
40 WT2 0.439024 0.78125
41 HRG 0.435897 0.757576
42 ALY 0.435897 0.735294
43 ILO 0.435897 0.757576
44 AS2 0.433333 0.62069
45 DCY 0.428571 0.740741
46 CYS 0.428571 0.740741
47 C2N 0.428571 0.703704
48 NOT 0.425 0.705882
49 EXY 0.425 0.611111
50 ONL 0.424242 0.625
51 2FM 0.416667 0.677419
52 NMM 0.414634 0.714286
53 HAR 0.414634 0.625
54 VUR 0.414634 0.735294
55 4JK 0.414634 0.714286
56 MET 0.411765 0.65625
57 MED 0.411765 0.65625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3JDW; Ligand: ORN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3jdw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3JDW; Ligand: ORN; 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: 3jdw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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