scPDB - 1v5z entry

Protein Data Bank Entry:

PDB ID : 1v5z

Resolution :2.000 Å

Experimental Method : X-ray

Deposition Date : 2003-11-26

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Major NAD(P)H-flavin oxidoreductase
ID:	FRA1_ALIFS
AC:	P46072
Organism:	Aliivibrio fischeri
Reign:	Bacteria
TaxID:	668
EC Number:	1.6.99

Chains:

Chain Name:	Percentage of Residues within binding site
A	50 %
B	50 %

Ligand binding site composition:

B-Factor:	26.500
Number of residues:	23
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	FMN
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.679	880.875

% Hydrophobic	% Polar
33.72	66.28
According to VolSite

Ligand :

HET Code:	2HC
Formula:	C9H7O3
Molecular weight:	163.150 g/mol
DrugBank ID:	DB01650
Buried Surface Area:	70.47 %
Polar Surface area:	60.36 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
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
64.4092	30.7041	22.7487

Binding mode :

What is Poseview ?

2D View
3D View

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
O	NZ	LYS- 16	4	0	Ionic (Protein Cationic)	false
OXT	N	ILE- 43	2.94	144.28	H-Bond (Protein Donor)	false
CG	CG2	ILE- 43	4.45	0	Hydrophobic	false
CB	CG2	ILE- 43	3.63	0	Hydrophobic	false
CA	CZ	PHE- 72	4.48	0	Hydrophobic	false
CD1	CD1	PHE- 124	3.08	0	Hydrophobic	false
CA	CD1	PHE- 124	3.62	0	Hydrophobic	false
CE1	CB	PHE- 124	3.94	0	Hydrophobic	false
OH	OE1	GLU- 165	2.61	153.87	H-Bond (Ligand Donor)	false
CD2	CB	GLU- 165	3.48	0	Hydrophobic	false
OXT	O2'	FMN- 1454	2.74	167.47	H-Bond (Protein Donor)	false