scPDB - 2g1m entry

Protein Data Bank Entry:

PDB ID : 2g1m

Resolution :2.200 Å

Experimental Method : X-ray

Deposition Date : 2006-02-14

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:	28.811
Number of residues:	30
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	FE2

Cavity properties

Ligandability	Volume (Å3)
0.058	259.875

% Hydrophobic	% Polar
54.55	45.45
According to VolSite

Ligand :

HET Code:	4HG
Formula:	C12H8IN2O4
Molecular weight:	371.107 g/mol
DrugBank ID:	DB07112
Buried Surface Area:	58.73 %
Polar Surface area:	102.35 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
40.6342	19.3514	11.5884

Binding mode :

What is Poseview ?

2D View
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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
C1	CG2	ILE- 256	3.81	0	Hydrophobic	false
C2	SD	MET- 299	3.74	0	Hydrophobic	false
C5	CE	MET- 299	3.33	0	Hydrophobic	false
O1	OH	TYR- 303	2.73	157.91	H-Bond (Protein Donor)	false
O2	CZ	ARG- 383	3.72	0	Ionic (Protein Cationic)	false
O4	CZ	ARG- 383	3.53	0	Ionic (Protein Cationic)	false
O2	NH2	ARG- 383	2.81	169.87	H-Bond (Protein Donor)	false
O4	NH1	ARG- 383	2.83	158.37	H-Bond (Protein Donor)	false
O4	NH2	ARG- 383	3.36	132.06	H-Bond (Protein Donor)	false
N1	FE	FE2- 600	2.07	0	Metal Acceptor	false
O3	FE	FE2- 600	2.2	0	Metal Acceptor	false
DuAr	FE	FE2- 600	3.41	90.19	Pi/Cation	false