scPDB - 3ogw entry

Protein Data Bank Entry:

PDB ID : 3ogw

Resolution :1.890 Å

Experimental Method : X-ray

Deposition Date : 2010-08-17

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Lactoperoxidase
ID:	PERL_BOVIN
AC:	P80025
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	1.11.1.7

Chains:

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

Ligand binding site composition:

B-Factor:	22.014
Number of residues:	28
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:	IOD

Cavity properties

Ligandability	Volume (Å3)
0.522	874.125

% Hydrophobic	% Polar
39.77	60.23
According to VolSite

Ligand :

HET Code:	IMN
Formula:	C19H15ClNO4
Molecular weight:	356.780 g/mol
DrugBank ID:	DB00328
Buried Surface Area:	66.4 %
Polar Surface area:	71.36 Å2

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

Mass center Coordinates

X	Y	Z
-23.6503	3.15364	30.6052

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
CL	CG	GLN- 105	4.07	0	Hydrophobic	false
C6	CE1	PHE- 113	4.4	0	Hydrophobic	false
C6	CG	GLU- 116	3.34	0	Hydrophobic	false
C10	CG	ARG- 255	4.19	0	Hydrophobic	false
C15	CB	ARG- 255	4.44	0	Hydrophobic	false
C16	CB	ARG- 255	3.94	0	Hydrophobic	false
C12	CD	ARG- 255	3.43	0	Hydrophobic	false
C10	CG	GLU- 258	3.76	0	Hydrophobic	false
C14	CG	GLU- 258	3.84	0	Hydrophobic	false
C16	CB	GLU- 258	3.82	0	Hydrophobic	false
C16	CE1	PHE- 381	3.21	0	Hydrophobic	false
O1	O	HOH- 747	2.86	179.95	H-Bond (Protein Donor)	false