scPDB - 5f1c entry

Protein Data Bank Entry:

PDB ID : 5f1c

Resolution :2.900 Å

Experimental Method : X-ray

Deposition Date : 2015-11-30

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Uncharacterized protein
ID:	G3MM57_9ACAR
AC:	G3MM57
Organism:	Amblyomma maculatum
Reign:	Eukaryota
TaxID:	34609
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
B	45 %
C	55 %

Ligand binding site composition:

B-Factor:	54.363
Number of residues:	31
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.490	796.500

% Hydrophobic	% Polar
42.80	57.20
According to VolSite

Ligand :

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	59.78 %
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
60.3304	-13.4901	-15.1256

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
O2G	NZ	LYS- 66	2.86	175.93	H-Bond (Protein Donor)	false
O2A	NZ	LYS- 66	2.79	159.55	H-Bond (Protein Donor)	false
O2G	NZ	LYS- 66	2.86	0	Ionic (Protein Cationic)	false
O2B	NZ	LYS- 66	3.28	0	Ionic (Protein Cationic)	false
O2A	NZ	LYS- 66	2.79	0	Ionic (Protein Cationic)	false
O2G	NZ	LYS- 68	2.81	142.93	H-Bond (Protein Donor)	false
O3G	NZ	LYS- 68	3.24	144.07	H-Bond (Protein Donor)	false
O2G	NZ	LYS- 68	2.81	0	Ionic (Protein Cationic)	false
O3G	NZ	LYS- 68	3.24	0	Ionic (Protein Cationic)	false
N6	O	THR- 206	2.92	165.89	H-Bond (Ligand Donor)	false
N1	OG1	THR- 206	2.85	160.88	H-Bond (Protein Donor)	false
C5'	CD2	LEU- 208	4.42	0	Hydrophobic	false
O1A	NZ	LYS- 210	3.03	153.88	H-Bond (Protein Donor)	false
O1A	NZ	LYS- 210	3.03	0	Ionic (Protein Cationic)	false
O2A	NZ	LYS- 210	3.87	0	Ionic (Protein Cationic)	false
C4'	CB	LEU- 234	4.41	0	Hydrophobic	false
C5'	CB	ALA- 307	4.33	0	Hydrophobic	false
O2B	ND2	ASN- 311	3.05	131.03	H-Bond (Protein Donor)	false
O1G	NH2	ARG- 313	2.96	148.49	H-Bond (Protein Donor)	false
O2G	NH2	ARG- 313	3.12	139.39	H-Bond (Protein Donor)	false
O2G	NH1	ARG- 313	2.85	155.19	H-Bond (Protein Donor)	false
O2G	CZ	ARG- 313	3.42	0	Ionic (Protein Cationic)	false
O1G	NZ	LYS- 327	3.52	0	Ionic (Protein Cationic)	false
O2B	NZ	LYS- 327	3	0	Ionic (Protein Cationic)	false
O2B	NZ	LYS- 327	3	162.75	H-Bond (Protein Donor)	false
O1G	ZN	ZN- 403	2.43	0	Metal Acceptor	false