Receptor
PDB id Resolution Class Description Source Keywords
3HPF 1.8 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF THE MUTANT Y90F OF DIVERGENT GALACTARATE DEHYDRATASE FROM OCEANOBACILLUS IHEYENSIS C OMPLEXED WITH MG AND GALACTARATE OCEANOBACILLUS IHEYENSIS HTE831 GALACTARATE DEHYDRATASE GALACTARATE X-RAY STRUCTURE ISOMERASE
Ref.: COMPUTATION-FACILITATED ASSIGNMENT OF THE FUNCTION IN THE ENOLASE SUPERFAMILY: A REGIOCHEMICALLY DISTINCT GALACTARATE DEHYDRATASE FROM OCEANOBACILLUS IHEYENSIS . BIOCHEMISTRY V. 48 11546 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAE A:411;
B:411;
Valid;
Valid;
none;
none;
submit data
210.139 C6 H10 O8 [C@H]...
MG A:401;
A:402;
B:401;
B:402;
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
3HPF 1.8 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF THE MUTANT Y90F OF DIVERGENT GALACTARATE DEHYDRATASE FROM OCEANOBACILLUS IHEYENSIS C OMPLEXED WITH MG AND GALACTARATE OCEANOBACILLUS IHEYENSIS HTE831 GALACTARATE DEHYDRATASE GALACTARATE X-RAY STRUCTURE ISOMERASE
Ref.: COMPUTATION-FACILITATED ASSIGNMENT OF THE FUNCTION IN THE ENOLASE SUPERFAMILY: A REGIOCHEMICALLY DISTINCT GALACTARATE DEHYDRATASE FROM OCEANOBACILLUS IHEYENSIS . BIOCHEMISTRY V. 48 11546 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3ES8 - LMR C4 H6 O5 C([C@@H](C....
2 3ES7 - LMR C4 H6 O5 C([C@@H](C....
3 3HPF - GAE C6 H10 O8 [C@H]([C@H....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3ES8 - LMR C4 H6 O5 C([C@@H](C....
2 3ES7 - LMR C4 H6 O5 C([C@@H](C....
3 3HPF - GAE C6 H10 O8 [C@H]([C@H....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3ES8 - LMR C4 H6 O5 C([C@@H](C....
2 3ES7 - LMR C4 H6 O5 C([C@@H](C....
3 3HPF - GAE C6 H10 O8 [C@H]([C@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAE; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LGT 1 1
2 GAE 1 1
3 RAT 0.666667 1
4 LFC 0.636364 0.777778
5 SRT 0.588235 1
6 TLA 0.588235 1
7 TAR 0.588235 1
8 REL 0.56 0.941176
9 FIX 0.444444 0.941176
10 2OP 0.421053 0.611111
11 LAC 0.421053 0.611111
12 IPM 0.416667 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HPF; Ligand: GAE; 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: 3hpf.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HPF; Ligand: GAE; 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: 3hpf.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3HPF; Ligand: GAE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3hpf.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3HPF; Ligand: GAE; 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: 3hpf.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3HPF; Ligand: GAE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3hpf.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3HPF; Ligand: GAE; 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: 3hpf.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3HPF; Ligand: GAE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3hpf.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3HPF; Ligand: GAE; 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: 3hpf.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3HPF; Ligand: GAE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3hpf.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3HPF; Ligand: GAE; 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: 3hpf.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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