scPDB - 3p6m entry

Protein Data Bank Entry:

PDB ID : 3p6m

Resolution :2.000 Å

Experimental Method : X-ray

Deposition Date : 2010-10-11

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:	31.111
Number of residues:	35
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.679	1299.375

% Hydrophobic	% Polar
60.78	39.22
According to VolSite

Ligand :

HET Code:	DSO
Formula:	C31H45N3O3S
Molecular weight:	539.772 g/mol
DrugBank ID:	DB03031
Buried Surface Area:	52.24 %
Polar Surface area:	86.88 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	6
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	13

Mass center Coordinates

X	Y	Z
-6.27408	-5.47492	-26.7564

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
C33	CZ	TYR- 29	3.75	0	Hydrophobic	false
C10	CZ	PHE- 87	4.05	0	Hydrophobic	false
C28	CE2	PHE- 87	3.6	0	Hydrophobic	false
C22	CB	PRO- 89	3.84	0	Hydrophobic	false
C15	CG	PRO- 89	3.59	0	Hydrophobic	false
C15	CG	PRO- 89	3.59	0	Hydrophobic	false
C32	CB	ALA- 92	4.07	0	Hydrophobic	false
C4	CZ	TYR- 96	4.46	0	Hydrophobic	false
O38	OH	TYR- 96	2.54	138.91	H-Bond (Protein Donor)	false
C2	CG2	THR- 101	4.14	0	Hydrophobic	false
C27	CG	MET- 184	4.13	0	Hydrophobic	false
C27	CG2	THR- 185	3.96	0	Hydrophobic	false
C30	CD2	PHE- 193	3.74	0	Hydrophobic	false
C28	CE2	PHE- 193	3.7	0	Hydrophobic	false
C4	CD1	LEU- 244	4.03	0	Hydrophobic	false
C7	CD1	LEU- 244	4.33	0	Hydrophobic	false
C7	CG2	VAL- 247	4.48	0	Hydrophobic	false
C6	CG2	THR- 252	3.74	0	Hydrophobic	false
C8	CG1	VAL- 295	3.99	0	Hydrophobic	false
C10	CG2	ILE- 395	4.08	0	Hydrophobic	false
C31	CD1	ILE- 395	3.81	0	Hydrophobic	false
C6	CG2	VAL- 396	3.83	0	Hydrophobic	false