scPDB - 2feu entry

Protein Data Bank Entry:

PDB ID : 2feu

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 2005-12-16

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Camphor 5-monooxygenase
ID:	CPXA_PSEPU
AC:	P00183
Organism:	Pseudomonas putida
Reign:	Bacteria
TaxID:	303
EC Number:	1.14.15.1

Chains:

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

Ligand binding site composition:

B-Factor:	21.586
Number of residues:	20
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.854	833.625

% Hydrophobic	% Polar
62.35	37.65
According to VolSite

Ligand :

HET Code:	CAM
Formula:	C10H16O
Molecular weight:	152.233 g/mol
DrugBank ID:	DB01744
Buried Surface Area:	57.74 %
Polar Surface area:	17.07 Å2

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

Mass center Coordinates

X	Y	Z
22.671	-2.56782	47.4846

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
C10	CZ	PHE- 87	3.93	0	Hydrophobic	false
O	OH	TYR- 96	2.66	162.64	H-Bond (Protein Donor)	false
C3	CG2	THR- 101	4.3	0	Hydrophobic	false
C10	CG2	THR- 185	4.18	0	Hydrophobic	false
C3	CD1	LEU- 244	3.78	0	Hydrophobic	false
C6	CD1	LEU- 244	4.02	0	Hydrophobic	false
C10	CG1	VAL- 247	3.82	0	Hydrophobic	false
C9	CG2	THR- 252	4.1	0	Hydrophobic	false
C8	CG1	VAL- 295	3.6	0	Hydrophobic	false
C8	CB	ASP- 297	4.46	0	Hydrophobic	false
C8	CG2	ILE- 395	4.21	0	Hydrophobic	false
C10	CG2	ILE- 395	4.15	0	Hydrophobic	false
C9	CG2	VAL- 396	4.1	0	Hydrophobic	false
C10	CG2	VAL- 396	4.19	0	Hydrophobic	false