scPDB - 1v7a entry

Protein Data Bank Entry:

PDB ID : 1v7a

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 2003-12-14

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Adenosine deaminase
ID:	ADA_BOVIN
AC:	P56658
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	3.5.4.4

Chains:

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

Ligand binding site composition:

B-Factor:	5.735
Number of residues:	38
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
1.247	840.375

% Hydrophobic	% Polar
62.25	37.75
According to VolSite

Ligand :

HET Code:	FRC
Formula:	C19H21N3O3
Molecular weight:	339.388 g/mol
DrugBank ID:	DB07785
Buried Surface Area:	61.88 %
Polar Surface area:	90.37 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

Mass center Coordinates

X	Y	Z
49.2461	54.8277	20.0372

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
O15	ND1	HIS- 17	3.08	160.24	H-Bond (Protein Donor)	false
DuAr	DuAr	HIS- 17	3.5	0	Aromatic Face/Face	false
O15	OD2	ASP- 19	2.72	165.99	H-Bond (Ligand Donor)	false
O15	OD1	ASP- 19	3.37	136.08	H-Bond (Ligand Donor)	false
C15	CD2	LEU- 62	3.73	0	Hydrophobic	false
C4	CD2	LEU- 62	3.51	0	Hydrophobic	false
C12	CD2	LEU- 62	3.52	0	Hydrophobic	false
C13	CE2	PHE- 65	4.48	0	Hydrophobic	false
C2	CE2	PHE- 65	3.84	0	Hydrophobic	false
C14	CB	SER- 103	4.3	0	Hydrophobic	false
C18	CD1	LEU- 106	3.66	0	Hydrophobic	false
C19	CD1	LEU- 106	4.35	0	Hydrophobic	false
C2	CH2	TRP- 117	4.18	0	Hydrophobic	false
C9	SG	CYS- 153	3.82	0	Hydrophobic	false
C18	CE	MET- 155	4.01	0	Hydrophobic	false
C9	SD	MET- 155	3.77	0	Hydrophobic	false
C16	CE	MET- 155	3.63	0	Hydrophobic	false
C9	CB	ALA- 183	3.69	0	Hydrophobic	false
C11	CB	ASP- 185	3.42	0	Hydrophobic	false
N10	OD2	ASP- 296	3.22	145.09	H-Bond (Ligand Donor)	false
N10	O	HOH- 1170	3.29	148.23	H-Bond (Ligand Donor)	false