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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:

4mgk

2.700 Å

X-ray

2013-08-28

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Rap guanine nucleotide exchange factor 4
ID:RPGF4_MOUSE
AC:Q9EQZ6
Organism:Mus musculus
Reign:Eukaryota
TaxID:10090
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
E100 %


Ligand binding site composition:

B-Factor:46.201
Number of residues:33
Including
Standard Amino Acids: 32
Non Standard Amino Acids: 0
Water Molecules: 1
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.991658.125

% Hydrophobic% Polar
47.1852.82
According to VolSite

Ligand :
4mgk_1 Structure
HET Code: CMP
Formula: C10H11N5O6P
Molecular weight: 328.198 g/mol
DrugBank ID: DB02527
Buried Surface Area:80.96 %
Polar Surface area: 167.48 Å2
Number of
H-Bond Acceptors: 10
H-Bond Donors: 2
Rings: 4
Aromatic rings: 2
Anionic atoms: 1
Cationic atoms: 0
Rule of Five Violation: 1
Rotatable Bonds: 1

Mass center Coordinates

XYZ
4.93232-17.7659-60.7307


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
C5'CE1PHE- 3673.750Hydrophobic
C4'CBPHE- 4034.190Hydrophobic
C1'CBPHE- 4033.820Hydrophobic
O2'NGLY- 4042.97168.92H-Bond
(Protein Donor)
C3'CD2LEU- 4063.920Hydrophobic
O2PNALA- 4073.02157.87H-Bond
(Protein Donor)
O2PNH1ARG- 4142.75149.26H-Bond
(Protein Donor)
O1PNALA- 4152.95167.93H-Bond
(Protein Donor)
C5'CBALA- 4164.020Hydrophobic
C5'CG1ILE- 4184.480Hydrophobic
C2'CD2LEU- 4494.40Hydrophobic
N6OLYS- 4503.05147.66H-Bond
(Ligand Donor)
N1NZLYS- 4893.16172.19H-Bond
(Protein Donor)
N7OHOH- 12082.72145.01H-Bond
(Protein Donor)