scPDB - 2b96 entry

Protein Data Bank Entry:

PDB ID : 2b96

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 2005-10-11

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Phospholipase A2
ID:	PA21B_BOVIN
AC:	P00593
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	3.1.1.4

Chains:

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

Ligand binding site composition:

B-Factor:	19.384
Number of residues:	23
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	CA

Cavity properties

Ligandability	Volume (Å3)
1.008	364.500

% Hydrophobic	% Polar
62.96	37.04
According to VolSite

Ligand :

HET Code:	ANN
Formula:	C8H7O3
Molecular weight:	151.139 g/mol
DrugBank ID:	DB02795
Buried Surface Area:	70.88 %
Polar Surface area:	49.36 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	0
Rings:	1
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

Mass center Coordinates

X	Y	Z
30.5011	2.74191	66.584

Binding mode :

What is Poseview ?

2D View
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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	CD1	LEU- 2	4.06	0	Hydrophobic	false
C8	CD2	PHE- 5	4.42	0	Hydrophobic	false
C8	CD1	ILE- 9	4.1	0	Hydrophobic	false
C8	CB	PRO- 18	4.24	0	Hydrophobic	false
C8	CD2	LEU- 19	3.7	0	Hydrophobic	false
C4	CB	PHE- 22	4.4	0	Hydrophobic	false
C3	CB	CYS- 29	4.21	0	Hydrophobic	false
O1	N	GLY- 30	3.22	175.24	H-Bond (Protein Donor)	false
C3	SG	CYS- 45	4.02	0	Hydrophobic	false
O2	OH	TYR- 69	2.64	167.84	H-Bond (Protein Donor)	false
O1	CA	CA- 124	2.49	0	Metal Acceptor	false