Receptor
PDB id Resolution Class Description Source Keywords
5FPX 1.5 Å NON-ENZYME: OTHER THE STRUCTURE OF KDGF FROM YERSINIA ENTEROCOLITICA. YERSINIA ENTEROCOLITICA HYDROLASE KDGF PECTIN ALGINATE URONATE SUGAR METABOLISM
Ref.: KDGF, THE MISSING LINK IN THE MICROBIAL METABOLISM URONATE SUGARS FROM PECTIN AND ALGINATE. PROC.NATL.ACAD.SCI.USA V. 113 6188 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NI A:1105;
B:1105;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
GLY SER SER HIS HIS HIS HIS HIS E:1;
F:1;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.164;
Atoms found LESS than expected: % Diff = 0.09;
submit data
782.8 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FPX 1.5 Å NON-ENZYME: OTHER THE STRUCTURE OF KDGF FROM YERSINIA ENTEROCOLITICA. YERSINIA ENTEROCOLITICA HYDROLASE KDGF PECTIN ALGINATE URONATE SUGAR METABOLISM
Ref.: KDGF, THE MISSING LINK IN THE MICROBIAL METABOLISM URONATE SUGARS FROM PECTIN AND ALGINATE. PROC.NATL.ACAD.SCI.USA V. 113 6188 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5FPZ - MLA C3 H4 O4 C(C(=O)O)C....
2 5FPX - GLY SER SER HIS HIS HIS HIS HIS n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5FPZ - MLA C3 H4 O4 C(C(=O)O)C....
2 5FPX - GLY SER SER HIS HIS HIS HIS HIS n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5FPZ - MLA C3 H4 O4 C(C(=O)O)C....
2 5FPX - GLY SER SER HIS HIS HIS HIS HIS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY SER SER HIS HIS HIS HIS HIS; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY SER SER HIS HIS HIS HIS HIS 1 1
2 LYS GLY HIS HIS HIS HIS HIS HIS 0.628205 0.75
3 GLY HIS GLY 0.533333 0.823529
4 HIS HIS HIS HIS HIS GLY SER 0.517241 0.941176
5 ALA HIS HIS ALA 0.4875 0.735849
6 ACE SER ALA VAL LEU HSV 0.46875 0.785714
7 GLY ALA ARG ALA HIS SER SER 0.466667 0.790323
8 ALA HIS ALA 0.4625 0.698113
9 LYS SER HIS GLN GLU 0.432692 0.872727
10 ALA HIS HIS 0.432099 0.754717
11 GLY HIS ARG PRO NH2 0.428571 0.661538
12 PHE ASN GLU LEU SER HIS LEU 0.425743 0.824561
13 ACE LEU HIS SER TPO ALA NH2 0.419048 0.723077
14 ACE THR VAL ALC HSV 0.413462 0.711864
15 LYS HIS LYS 0.411111 0.763636
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY SER SER HIS HIS HIS HIS HIS; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FPX; Ligand: GLY SER SER HIS HIS HIS HIS HIS; 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: 5fpx.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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