scPDB - 2ch2 entry

Protein Data Bank Entry:

PDB ID : 2ch2

Resolution :2.700 Å

Experimental Method : X-ray

Deposition Date : 2006-03-10

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Serine--pyruvate aminotransferase
ID:	Q7PRG3_ANOGA
AC:	Q7PRG3
Organism:	Anopheles gambiae
Reign:	Eukaryota
TaxID:	7165
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	26 %
D	74 %

Ligand binding site composition:

B-Factor:	31.749
Number of residues:	23
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.386	2170.125

% Hydrophobic	% Polar
41.84	58.16
According to VolSite

Ligand :

HET Code:	KY1
Formula:	C10H10NO3
Molecular weight:	192.191 g/mol
DrugBank ID:	DB08060
Buried Surface Area:	76.96 %
Polar Surface area:	83.22 Å2

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

Mass center Coordinates

X	Y	Z
-3.56514	27.4959	-13.6804

Binding mode :

What is Poseview ?

2D View
3D View

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
N1	O	GLY- 25	3.16	131.63	H-Bond (Ligand Donor)	false
N1	OG	SER- 43	3.01	166.02	H-Bond (Ligand Donor)	false
CD1	CB	ASN- 44	4.13	0	Hydrophobic	false
CA	CH2	TRP- 104	3.51	0	Hydrophobic	false
CB	CZ	TYR- 256	4.12	0	Hydrophobic	false
CZ	CB	TYR- 256	3.85	0	Hydrophobic	false
CA	CD1	LEU- 347	4.15	0	Hydrophobic	false
CZ	CG	LEU- 347	4.5	0	Hydrophobic	false
O	NH1	ARG- 356	3.11	133.35	H-Bond (Protein Donor)	false
O	NH2	ARG- 356	2.72	154.17	H-Bond (Protein Donor)	false
OXT	NH1	ARG- 356	3.5	145.29	H-Bond (Protein Donor)	false
O	CZ	ARG- 356	3.34	0	Ionic (Protein Cationic)	false