scPDB - 1iah entry

Protein Data Bank Entry:

PDB ID : 1iah

Resolution :2.400 Å

Experimental Method : X-ray

Deposition Date : 2001-03-22

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Transient receptor potential cation channel subfamily M member 7
ID:	TRPM7_MOUSE
AC:	Q923J1
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
EC Number:	2.7.11.1

Chains:

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

Ligand binding site composition:

B-Factor:	48.764
Number of residues:	29
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	MG

Cavity properties

Ligandability	Volume (Å3)
0.401	486.000

% Hydrophobic	% Polar
52.08	47.92
According to VolSite

Ligand :

HET Code:	ADP
Formula:	C10H12N5O10P2
Molecular weight:	424.177 g/mol
DrugBank ID:	-
Buried Surface Area:	69.44 %
Polar Surface area:	260.7 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
55.3328	46.7619	54.0264

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
C4'	CB	MET- 1617	3.88	0	Hydrophobic	false
C1'	CE	MET- 1617	3.76	0	Hydrophobic	false
O3B	N	GLY- 1619	3.22	128.41	H-Bond (Protein Donor)	false
C1'	CB	ALA- 1624	4.39	0	Hydrophobic	false
C5'	CB	ALA- 1624	3.6	0	Hydrophobic	false
O1A	NZ	LYS- 1646	3.23	140.95	H-Bond (Protein Donor)	false
N7	NZ	LYS- 1646	3.08	132.81	H-Bond (Protein Donor)	false
O1A	NZ	LYS- 1646	3.23	0	Ionic (Protein Cationic)	false
N6	OE2	GLU- 1718	2.84	161.94	H-Bond (Ligand Donor)	false
N6	O	GLU- 1719	3.07	123.31	H-Bond (Ligand Donor)	false
N1	N	MET- 1721	2.79	161.12	H-Bond (Protein Donor)	false
C3'	CE1	PHE- 1725	4.07	0	Hydrophobic	false
C2'	CG	PHE- 1725	3.81	0	Hydrophobic	false
O2B	MG	MG- 2003	2.39	0	Metal Acceptor	false
O2B	O	HOH- 3133	3.45	171.66	H-Bond (Protein Donor)	false