scPDB - 1m9n entry

Protein Data Bank Entry:

PDB ID : 1m9n

Resolution :1.930 Å

Experimental Method : X-ray

Deposition Date : 2002-07-29

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Bifunctional purine biosynthesis protein PURH
ID:	PUR9_CHICK
AC:	P31335
Organism:	Gallus gallus
Reign:	Eukaryota
TaxID:	9031
EC Number:	2.1.2.3

Chains:

Chain Name:	Percentage of Residues within binding site
A	68 %
B	32 %

Ligand binding site composition:

B-Factor:	10.073
Number of residues:	34
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.676	779.625

% Hydrophobic	% Polar
46.32	53.68
According to VolSite

Ligand :

HET Code:	AMZ
Formula:	C9H13N4O8P
Molecular weight:	336.195 g/mol
DrugBank ID:	DB01700
Buried Surface Area:	54.51 %
Polar Surface area:	218.85 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	4
Rings:	2
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
35.1449	-8.70545	32.995

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
O4	OH	TYR- 209	2.53	168.18	H-Bond (Protein Donor)	false
C4	CG2	ILE- 239	3.34	0	Hydrophobic	false
C2	CD	LYS- 267	4.29	0	Hydrophobic	false
O1	O	GLY- 317	2.68	151.84	H-Bond (Ligand Donor)	false
O4	NH2	ARG- 589	3.36	132.65	H-Bond (Protein Donor)	false
O4	NH1	ARG- 589	2.82	162.48	H-Bond (Protein Donor)	false
OP2	NH2	ARG- 589	2.7	148.65	H-Bond (Protein Donor)	false
O4	CZ	ARG- 589	3.52	0	Ionic (Protein Cationic)	false
OP2	CZ	ARG- 589	3.68	0	Ionic (Protein Cationic)	false
O1	O	HOH- 1022	2.81	179.94	H-Bond (Protein Donor)	false
OP1	O	HOH- 1080	2.83	179.97	H-Bond (Protein Donor)	false