-->
Receptor
PDB id Resolution Class Description Source Keywords
2QJN 2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM NOVOSPHING AROMATICIVORANS COMPLEXED WITH MG AND 2-KETO-3-DEOXY-D-GLUC NOVOSPHINGOBIUM AROMATICIVORANS D-MANNONATE DEHYDRATASE ENOLASE SUPERFAMILY LYASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: D-MANNONATE DEHYDRATASE FROM NOVOSPHIN AROMATICIVORANS. BIOCHEMISTRY V. 46 12896 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KDG A:2001;
B:2002;
C:2003;
D:2004;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
178.14 C6 H10 O6 C([C@...
MG A:1001;
B:1002;
C:1003;
D:1004;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QJN 2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM NOVOSPHING AROMATICIVORANS COMPLEXED WITH MG AND 2-KETO-3-DEOXY-D-GLUC NOVOSPHINGOBIUM AROMATICIVORANS D-MANNONATE DEHYDRATASE ENOLASE SUPERFAMILY LYASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: D-MANNONATE DEHYDRATASE FROM NOVOSPHIN AROMATICIVORANS. BIOCHEMISTRY V. 46 12896 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 2QJM - CS2 C6 H12 O7 C([C@H]([C....
2 2QJN - KDG C6 H10 O6 C([C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 2QJM - CS2 C6 H12 O7 C([C@H]([C....
2 2QJN - KDG C6 H10 O6 C([C@@H]([....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 2QJM - CS2 C6 H12 O7 C([C@H]([C....
2 2QJN - KDG C6 H10 O6 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KDG; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 KDG 1 1
2 SI3 0.431818 0.685714
3 NGF 0.422222 0.666667
4 KD0 0.404762 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: 19
This union binding pocket(no: 1) in the query (biounit: 2qjn.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5XWV 8H6 1.24378
2 1O5Q PYR 2.95082
3 1XG4 ICT 3.05085
4 1EC9 XYH 3.73134
5 1QO8 FAD 3.73134
6 5UTQ OAN 4.28571
7 1R6W 164 5.22388
8 1KKR 2AS 5.97015
9 4FFG LBS 6.71642
10 1SJD NPG 25.8152
11 3UXL CFI 28.1984
12 3R1Z ALA DGL 29.602
13 3CXO 3LR 31.592
14 3CXO 1N5 31.592
15 2DW7 SRT 31.6195
16 1TKK ALA GLU 33.8798
17 2PP3 LGT 37.6884
18 2HXT EHM 38.0597
19 3DER ALA LYS 41.7391
Pocket No.: 2; Query (leader) PDB : 2QJN; Ligand: KDG; 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: 2qjn.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 6FK3 PPI 1.49254
2 6BR8 6OU 1.98413
3 4KCT PYR 1.99005
4 4WB6 ATP 2.57143
5 5YJS SAL 3.58974
6 2B99 RDL 3.84615
7 4IP7 FLC 4.47761
8 1WKM MET 5.42373
9 1QY1 PRZ 8.62069
10 5T9C G3P 9.70149
Pocket No.: 4; Query (leader) PDB : 2QJN; Ligand: KDG; 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: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: 2
This union binding pocket(no: 5) in the query (biounit: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2G50 PYR 2.45283
2 2A1L PCW 5.92593
Pocket No.: 6; Query (leader) PDB : 2QJN; Ligand: KDG; 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: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: 4
This union binding pocket(no: 7) in the query (biounit: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3URB DPF 2.44648
2 5DRB 5FJ 3.09278
3 2QCS ANP 3.09278
4 3FHI ANP 5.84416
Pocket No.: 8; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2qjn.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: 1
This union binding pocket(no: 9) in the query (biounit: 2qjn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1W4R TTP 3.58974
Pocket No.: 10; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2qjn.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: 1
This union binding pocket(no: 11) in the query (biounit: 2qjn.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1I7M PUT 14.9254
Pocket No.: 12; Query (leader) PDB : 2QJN; Ligand: KDG; Similar sites found with APoc: 1
This union binding pocket(no: 12) in the query (biounit: 2qjn.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4MNS 2AX 5.03145
APoc FAQ
Feedback