scPDB - 4bqw entry

Protein Data Bank Entry:

PDB ID : 4bqw

Resolution :1.790 Å

Experimental Method : X-ray

Deposition Date : 2013-06-03

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Egl nine homolog 1
ID:	EGLN1_HUMAN
AC:	Q9GZT9
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	24.489
Number of residues:	33
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	MN

Cavity properties

Ligandability	Volume (Å3)
0.246	263.250

% Hydrophobic	% Polar
53.85	46.15
According to VolSite

Ligand :

HET Code:	QNM
Formula:	C13H10N2O5
Molecular weight:	274.229 g/mol
DrugBank ID:	-
Buried Surface Area:	66.24 %
Polar Surface area:	112.6 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	1
Rings:	2
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
-36.4986	25.6674	3.58385

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
CAL	CB	ASP- 254	3.72	0	Hydrophobic	false
CAL	CG2	ILE- 256	3.86	0	Hydrophobic	false
CAO	CG2	ILE- 256	4.35	0	Hydrophobic	false
CAL	CE	MET- 299	3.92	0	Hydrophobic	false
CAN	CE	MET- 299	3.45	0	Hydrophobic	false
CAO	SD	MET- 299	3.5	0	Hydrophobic	false
CAL	CB	ALA- 301	3.64	0	Hydrophobic	false
O6	OH	TYR- 303	2.68	160.26	H-Bond (Protein Donor)	false
CAL	CZ	TYR- 303	4.35	0	Hydrophobic	false
CAL	CE2	TYR- 310	4.11	0	Hydrophobic	false
OAJ	OH	TYR- 329	2.63	173.2	H-Bond (Protein Donor)	false
OAK	NH1	ARG- 383	2.79	162.63	H-Bond (Protein Donor)	false
OAJ	NH2	ARG- 383	2.86	169.16	H-Bond (Protein Donor)	false
OAK	CZ	ARG- 383	3.62	0	Ionic (Protein Cationic)	false
OAJ	CZ	ARG- 383	3.7	0	Ionic (Protein Cationic)	false
O2	MN	MN- 501	2.11	0	Metal Acceptor	false
OAU	MN	MN- 501	2.05	0	Metal Acceptor	false