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Receptor
PDB id Resolution Class Description Source Keywords
2GWD 2.09 Å EC: 6.3.2.2 CRYSTAL STRUCTURE OF PLANT GLUTAMATE CYSTEINE LIGASE IN COMP MG2+ AND L-GLUTAMATE BRASSICA JUNCEA DISULFIDE BRIDGES GLUTATHIONE BIOSYNTHESIS BETA-HAIRPIN RREGULATION LIGASE
Ref.: STRUCTURAL BASIS FOR THE REDOX CONTROL OF PLANT GLU CYSTEINE LIGASE. J.BIOL.CHEM. V. 281 27557 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:516;
A:517;
A:518;
A:519;
A:520;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GLU A:521;
Valid;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
MG A:515;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GWD 2.09 Å EC: 6.3.2.2 CRYSTAL STRUCTURE OF PLANT GLUTAMATE CYSTEINE LIGASE IN COMP MG2+ AND L-GLUTAMATE BRASSICA JUNCEA DISULFIDE BRIDGES GLUTATHIONE BIOSYNTHESIS BETA-HAIRPIN RREGULATION LIGASE
Ref.: STRUCTURAL BASIS FOR THE REDOX CONTROL OF PLANT GLU CYSTEINE LIGASE. J.BIOL.CHEM. V. 281 27557 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GWC - BSC C8 H18 N2 O3 S CCCCS(=N)(....
2 2GWD - GLU C5 H9 N O4 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GWC - BSC C8 H18 N2 O3 S CCCCS(=N)(....
2 2GWD - GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GWC - BSC C8 H18 N2 O3 S CCCCS(=N)(....
2 2GWD - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL 1 1
2 GLU 1 1
3 DGL 1 1
4 DGN 0.62963 0.821429
5 GLN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 NPI 0.53125 0.923077
11 HGA 0.53125 0.666667
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 NVA 0.5 0.740741
17 API 0.5 0.884615
18 DAS 0.481481 0.846154
19 ASP 0.481481 0.846154
20 TNA 0.463415 0.685714
21 DBB 0.461538 0.692308
22 ABA 0.461538 0.692308
23 DSN 0.461538 0.655172
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 C2N 0.444444 0.666667
31 CYS 0.444444 0.642857
32 NLE 0.4375 0.689655
33 2HG 0.433333 0.653846
34 S2G 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 DLY 0.424242 0.666667
39 MED 0.424242 0.625
40 MET 0.424242 0.625
41 MSE 0.424242 0.606061
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 DHH 0.411765 0.851852
46 LYS 0.411765 0.645161
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 AS2 0.4 0.84
50 5OY 0.4 0.648649
51 ONH 0.4 0.611111
52 2JJ 0.4 0.648649
53 LEU 0.4 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GWD; Ligand: GLU; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 2gwd.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2XUA SHF 1.8797
2 6FCX FAD 2.22717
3 4HXY NDP 2.51142
4 5XWV 8H6 2.89532
5 5XWV NDP 2.89532
6 4HPP GLU 2.93454
7 4CQM NAP 3.06513
8 1U7T TDT 3.06513
9 4CM4 4NR 3.125
10 3GFB NAD 3.14286
11 3APT FAD 3.22581
12 3ZXR P3S 3.34076
13 3ZXR IQ1 3.34076
14 1QY1 PRZ 3.44828
15 6FNU FAD 3.8961
16 3T50 FMN 3.90625
17 5EJ2 NAD 4.22078
18 3L24 GOA 4.45434
19 5J75 6GQ 4.92424
20 1QKQ MAN 4.92958
21 4TVD BGC 5.79065
22 4DOL PLM 8.29493
23 2CER PGI 8.38446
24 4K55 H6P 8.87097
25 5OF1 SAL 11.9048
26 5HP8 PYR 16.129
Pocket No.: 2; Query (leader) PDB : 2GWD; Ligand: GLU; 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: 2gwd.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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