scPDB - 1i7l entry

Protein Data Bank Entry:

PDB ID : 1i7l

Resolution :2.350 Å

Experimental Method : X-ray

Deposition Date : 2001-03-09

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Synapsin-2
ID:	SYN2_RAT
AC:	Q63537
Organism:	Rattus norvegicus
Reign:	Eukaryota
TaxID:	10116
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	47.652
Number of residues:	39
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.592	860.625

% Hydrophobic	% Polar
45.49	54.51
According to VolSite

Ligand :

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	66.25 %
Polar Surface area:	319.88 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
23.4162	55.1331	14.8365

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
N7	NZ	LYS- 270	3.24	161.6	H-Bond (Protein Donor)	false
O3G	OG	SER- 276	2.75	163.47	H-Bond (Protein Donor)	false
O1A	N	GLY- 277	3.44	164.51	H-Bond (Protein Donor)	false
O1A	NZ	LYS- 280	3.61	0	Ionic (Protein Cationic)	false
N6	OE2	GLU- 306	3.04	172.11	H-Bond (Ligand Donor)	false
N6	O	PRO- 307	3.04	162.36	H-Bond (Ligand Donor)	false
N1	N	ILE- 309	3.04	159.92	H-Bond (Protein Donor)	false
O3'	OD1	ASP- 314	3.19	151.69	H-Bond (Ligand Donor)	false
O1G	NH1	ARG- 329	3.04	152.51	H-Bond (Protein Donor)	false
O1B	NH2	ARG- 329	2.9	153.72	H-Bond (Protein Donor)	false
O1B	CZ	ARG- 329	3.87	0	Ionic (Protein Cationic)	false
C1'	CE3	TRP- 336	4.4	0	Hydrophobic	false
C3'	CB	THR- 338	4.39	0	Hydrophobic	false
O2G	ND2	ASN- 339	3.2	141.22	H-Bond (Protein Donor)	false
O3B	ND2	ASN- 339	3.31	129.06	H-Bond (Protein Donor)	false
C5'	CB	ASN- 339	4.41	0	Hydrophobic	false
O2B	NZ	LYS- 374	2.74	136.08	H-Bond (Protein Donor)	false
O2A	NZ	LYS- 374	2.86	142.93	H-Bond (Protein Donor)	false
O2B	NZ	LYS- 374	2.74	0	Ionic (Protein Cationic)	false
O2A	NZ	LYS- 374	2.86	0	Ionic (Protein Cationic)	false
C2'	CG1	VAL- 376	4.38	0	Hydrophobic	false
C2'	CZ	PHE- 386	3.73	0	Hydrophobic	false
O2A	O	HOH- 1085	2.5	169.42	H-Bond (Protein Donor)	false