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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Protein Data Bank Entry:

1eji

2.900 Å

X-ray

2000-03-02

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Serine hydroxymethyltransferase, cytosolic
ID:GLYC_MOUSE
AC:P50431
Organism:Mus musculus
Reign:Eukaryota
TaxID:10090
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
A68 %
B32 %


Ligand binding site composition:

B-Factor:81.026
Number of residues:38
Including
Standard Amino Acids: 37
Non Standard Amino Acids: 1
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.898496.125

% Hydrophobic% Polar
52.3847.62
According to VolSite

Ligand :
1eji_2 Structure
HET Code: THF
Formula: C20H21N7O7
Molecular weight: 471.423 g/mol
DrugBank ID: DB02800
Buried Surface Area:58.43 %
Polar Surface area: 224.7 Å2
Number of
H-Bond Acceptors: 13
H-Bond Donors: 5
Rings: 3
Aromatic rings: 1
Anionic atoms: 2
Cationic atoms: 0
Rule of Five Violation: 1
Rotatable Bonds: 10

Mass center Coordinates

XYZ
109.43471.345792.1381


Binding mode :
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Binding mode
BioSolveIT Image generated by PoseView
Protein
Binding Site
Ligand
Interaction pattern
hydrophobic (CA)
aromatic (CZ)
hydrogen bond acceptor (O)
hydrogen bond acceptor/donor (OG)
hydrogen bond donor (N)
positively ionized (NZ)
negatively ionized (OD1)
metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT
BioSolveIT


LigandProteinInteraction
AtomAtomResidueDistance
(Å)
Angle (°)Type
N5OE1GLU- 753.70Ionic
(Ligand Cationic)
O3OE2GLU- 752.93175.26H-Bond
(Ligand Donor)
O3OE1GLU- 753.44130.75H-Bond
(Ligand Donor)
C9CD2TYR- 823.680Hydrophobic
C15CE2TYR- 823.330Hydrophobic
C13CD2LEU- 1433.880Hydrophobic
NA2OGLY- 1473.21139.18H-Bond
(Ligand Donor)
N3OGLY- 1472.9168H-Bond
(Ligand Donor)
O4NLEU- 1493.08152.02H-Bond
(Protein Donor)
C15CD1LEU- 1493.950Hydrophobic
C16CD2LEU- 1494.090Hydrophobic
OE1NZLYS- 1583.31163.39H-Bond
(Protein Donor)
OE1NZLYS- 1583.310Ionic
(Protein Cationic)
CBCD1ILE- 1604.010Hydrophobic
C16CBPRO- 2984.060Hydrophobic
CGCGPRO- 2983.960Hydrophobic
N1ND2ASN- 3872.63132.64H-Bond
(Protein Donor)
C12CBALA- 3953.40Hydrophobic