scPDB - 2yx6 entry

Protein Data Bank Entry:

PDB ID : 2yx6

Resolution :2.000 Å

Experimental Method : X-ray

Deposition Date : 2007-04-24

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:	O58552_PYRHO
AC:	O58552
Organism:	Pyrococcus horikoshii
Reign:	Archaea
TaxID:	70601
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
B	54 %
C	46 %

Ligand binding site composition:

B-Factor:	23.691
Number of residues:	30
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	4
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.066	421.875

% Hydrophobic	% Polar
49.60	50.40
According to VolSite

Ligand :

HET Code:	ADP
Formula:	C10H12N5O10P2
Molecular weight:	424.177 g/mol
DrugBank ID:	-
Buried Surface Area:	49.45 %
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
-38.2093	28.9571	15.6699

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
C4'	CG	ARG- 74	3.64	0	Hydrophobic	false
C1'	CG2	ILE- 77	4.29	0	Hydrophobic	false
N6	OD1	ASN- 81	2.89	132.79	H-Bond (Ligand Donor)	false
N6	OG1	THR- 89	3	156.18	H-Bond (Ligand Donor)	false
O1B	NZ	LYS- 114	3.24	140.79	H-Bond (Protein Donor)	false
O3B	NZ	LYS- 114	2.76	122.49	H-Bond (Protein Donor)	false
O1A	NZ	LYS- 114	3.14	151.29	H-Bond (Protein Donor)	false
O1B	NZ	LYS- 114	3.24	0	Ionic (Protein Cationic)	false
O3B	NZ	LYS- 114	2.76	0	Ionic (Protein Cationic)	false
O1A	NZ	LYS- 114	3.14	0	Ionic (Protein Cationic)	false
O3'	O	HOH- 129	2.82	151.83	H-Bond (Protein Donor)	false
N3	O	HOH- 1008	2.58	179.95	H-Bond (Protein Donor)	false