scPDB - 3b4p entry

Protein Data Bank Entry:

PDB ID : 3b4p

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 2007-10-24

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Phenazine biosynthesis protein A/B
ID:	Q396C9_BURL3
AC:	Q396C9
Organism:	Burkholderia lata
Reign:	Bacteria
TaxID:	482957
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	13 %
B	87 %

Ligand binding site composition:

B-Factor:	31.371
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.075	425.250

% Hydrophobic	% Polar
45.24	54.76
According to VolSite

Ligand :

HET Code:	3B4
Formula:	C13H16NO2
Molecular weight:	218.272 g/mol
DrugBank ID:	DB07038
Buried Surface Area:	71.62 %
Polar Surface area:	52.16 Å2

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

Mass center Coordinates

X	Y	Z
24.9143	14.5009	76.8248

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
CAO	CD2	LEU- 53	3.83	0	Hydrophobic	false
CAC	CB	LEU- 53	4	0	Hydrophobic	false
CAD	CG2	ILE- 62	4.12	0	Hydrophobic	false
CAF	CD1	ILE- 62	4.21	0	Hydrophobic	false
CAH	CD1	PHE- 81	3.63	0	Hydrophobic	false
CAI	CD2	PHE- 81	4.12	0	Hydrophobic	false
CAK	CZ	PHE- 81	4.33	0	Hydrophobic	false
CAJ	CE1	PHE- 81	3.32	0	Hydrophobic	false
CAI	CE2	TRP- 84	3.52	0	Hydrophobic	false
CAG	CZ2	TRP- 86	3.92	0	Hydrophobic	false
CAI	CH2	TRP- 86	4.25	0	Hydrophobic	false
CAK	CE2	TYR- 120	4.42	0	Hydrophobic	false
NAL	OE2	GLU- 140	3.42	144.65	H-Bond (Ligand Donor)	false
OAB	NE2	GLN- 147	3.28	151.72	H-Bond (Protein Donor)	false
OAA	NE2	GLN- 147	2.91	147.84	H-Bond (Protein Donor)	false
CAF	CD	ARG- 160	4.27	0	Hydrophobic	false
OAB	NE	ARG- 160	2.86	162.64	H-Bond (Protein Donor)	false
OAB	CZ	ARG- 160	3.66	0	Ionic (Protein Cationic)	false