scPDB - 1tg2 entry

Protein Data Bank Entry:

PDB ID : 1tg2

Resolution :2.200 Å

Experimental Method : X-ray

Deposition Date : 2004-05-28

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Phenylalanine-4-hydroxylase
ID:	PH4H_HUMAN
AC:	P00439
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	1.14.16.1

Chains:

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

Ligand binding site composition:

B-Factor:	33.236
Number of residues:	28
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	FE

Cavity properties

Ligandability	Volume (Å3)
0.810	364.500

% Hydrophobic	% Polar
60.19	39.81
According to VolSite

Ligand :

HET Code:	H2B
Formula:	C9H15N5O3
Molecular weight:	241.247 g/mol
DrugBank ID:	DB02562
Buried Surface Area:	60.87 %
Polar Surface area:	135.88 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	6
Rings:	2
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	2
Rule of Five Violation:	1
Rotatable Bonds:	2

Mass center Coordinates

X	Y	Z
-6.65206	24.9956	6.877

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
N2	O	GLY- 247	2.83	123.19	H-Bond (Ligand Donor)	false
N1	N	LEU- 249	3.09	160.07	H-Bond (Protein Donor)	false
N8	O	LEU- 249	2.81	162.64	H-Bond (Ligand Donor)	false
O10	OG	SER- 251	2.62	149.43	H-Bond (Protein Donor)	false
C11	CD2	PHE- 254	3.41	0	Hydrophobic	false
C11	CD2	LEU- 255	3.63	0	Hydrophobic	false
C10	CB	ALA- 322	4.08	0	Hydrophobic	false
C11	CD1	TYR- 325	3.55	0	Hydrophobic	false
N2	O	HOH- 429	3.23	122.75	H-Bond (Ligand Donor)	false