Receptor
PDB id Resolution Class Description Source Keywords
4HGP 1.8 Å EC: 3.1.3.45 CRYSTAL STRUCTURE OF 2-KETO-3-DEOXYOCTULOSONATE 8-PHOSPHATE PHOSPHOHYDROLASE FROM HAEMOPHILUS INFLUENZAE IN COMPLEX WITT RANSITION STATE MIMIC HAEMOPHILUS INFLUENZAE ROSSMANN FOLD PHOSPHOHYDROYLASE HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE DIVERGENCE OF SUBSTRATE SP AND BIOLOGICAL FUNCTION WITHIN HAD PHOSPHATASES IN LIPOPOLYSACCHARIDE AND SIALIC ACID BIOSYNTHESIS. BIOCHEMISTRY V. 52 5372 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VN4 A:202;
Invalid;
none;
submit data
98.94 O3 V [O-][...
KDO A:203;
Valid;
none;
submit data
238.192 C8 H14 O8 C1[C@...
MG A:201;
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
4HGP 1.8 Å EC: 3.1.3.45 CRYSTAL STRUCTURE OF 2-KETO-3-DEOXYOCTULOSONATE 8-PHOSPHATE PHOSPHOHYDROLASE FROM HAEMOPHILUS INFLUENZAE IN COMPLEX WITT RANSITION STATE MIMIC HAEMOPHILUS INFLUENZAE ROSSMANN FOLD PHOSPHOHYDROYLASE HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE DIVERGENCE OF SUBSTRATE SP AND BIOLOGICAL FUNCTION WITHIN HAD PHOSPHATASES IN LIPOPOLYSACCHARIDE AND SIALIC ACID BIOSYNTHESIS. BIOCHEMISTRY V. 52 5372 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4HGP - KDO C8 H14 O8 C1[C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4HGP - KDO C8 H14 O8 C1[C@H]([C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4UMD - CIT C6 H8 O7 C(C(=O)O)C....
2 4UME - KDO C8 H14 O8 C1[C@H]([C....
3 4UMF - KDO C8 H14 O8 C1[C@H]([C....
4 3I6B - KDO C8 H14 O8 C1[C@H]([C....
5 4HGP - KDO C8 H14 O8 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KDO; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 KDO 1 1
2 KDN 0.64 0.96875
3 KDM 0.64 0.96875
4 KDE 0.467742 0.864865
5 SLB 0.435484 0.704545
6 SIA 0.435484 0.704545
7 KDF 0.428571 0.833333
8 KDO KDO KDO 0.422535 0.8
9 NGC 0.421875 0.688889
10 NGE 0.421875 0.688889
11 18D 0.409091 0.673913
12 42D 0.409091 0.645833
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HGP; Ligand: KDO; 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: 4hgp.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4HGP; Ligand: KDO; 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: 4hgp.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4HGP; Ligand: KDO; 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: 4hgp.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4HGP; Ligand: KDO; 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: 4hgp.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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