scPDB - 1eyn entry

Protein Data Bank Entry:

PDB ID : 1eyn

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 2000-05-07

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	UDP-N-acetylglucosamine 1-carboxyvinyltransferase
ID:	MURA_ENTCC
AC:	P33038
Organism:	Enterobacter cloacae subsp. cloacae
Reign:	Bacteria
TaxID:	716541
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

Ligand binding site composition:

B-Factor:	22.797
Number of residues:	17
Including
Standard Amino Acids:	17
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.700	567.000

% Hydrophobic	% Polar
51.19	48.81
According to VolSite

Ligand :

HET Code:	2AN
Formula:	C16H12NO3S
Molecular weight:	298.336 g/mol
DrugBank ID:	DB04474
Buried Surface Area:	52.19 %
Polar Surface area:	77.61 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	3
Aromatic rings:	3
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
-34.6493	11.5196	78.646

Binding mode :

What is Poseview ?

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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

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
C6	CG2	VAL- 87	4.31	0	Hydrophobic	false
C9	CG	ARG- 91	4.23	0	Hydrophobic	false
C5	CG	ARG- 91	3.64	0	Hydrophobic	false
C5	CG	ARG- 91	3.64	0	Hydrophobic	false
C8	CD2	LEU- 111	3.82	0	Hydrophobic	false
C16	CB	PRO- 112	4.14	0	Hydrophobic	false
C5	CG	PRO- 112	3.82	0	Hydrophobic	false
C1	CB	PRO- 112	3.99	0	Hydrophobic	false
O3	CZ	ARG- 120	3.61	0	Ionic (Protein Cationic)	false