scPDB - 4hzp entry

Protein Data Bank Entry:

PDB ID : 4hzp

Resolution :1.770 Å

Experimental Method : X-ray

Deposition Date : 2012-11-15

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Conserved hypthetical protein
ID:	Q8GGP1_STRAZ
AC:	Q8GGP1
Organism:	Streptomyces atroolivaceus
Reign:	Bacteria
TaxID:	66869
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	17.660
Number of residues:	31
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	CL

Cavity properties

Ligandability	Volume (Å3)
0.716	621.000

% Hydrophobic	% Polar
49.46	50.54
According to VolSite

Ligand :

HET Code:	COA
Formula:	C21H32N7O16P3S
Molecular weight:	763.502 g/mol
DrugBank ID:	DB01992
Buried Surface Area:	47.87 %
Polar Surface area:	426.11 Å2

Number of
H-Bond Acceptors:	21
H-Bond Donors:	6
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	18

Mass center Coordinates

X	Y	Z
34.2463	14.6125	3.62465

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
C6P	CB	ALA- 64	4.04	0	Hydrophobic	false
S1P	CB	ALA- 64	3.94	0	Hydrophobic	false
N4P	O	PHE- 65	3.05	161.21	H-Bond (Ligand Donor)	false
S1P	CD2	PHE- 65	4.23	0	Hydrophobic	false
CEP	CD2	TYR- 66	3.98	0	Hydrophobic	false
CAP	CE2	TYR- 66	4.4	0	Hydrophobic	false
CEP	CD	ARG- 140	4.06	0	Hydrophobic	false
CDP	CG1	VAL- 142	3.75	0	Hydrophobic	false
CEP	CG1	VAL- 142	3.97	0	Hydrophobic	false
CDP	CB	LEU- 153	4.23	0	Hydrophobic	false
C2P	CB	PHE- 223	4.22	0	Hydrophobic	false
N8P	O	TYR- 260	3.09	124.26	H-Bond (Ligand Donor)	false
C6P	CB	TYR- 260	4.03	0	Hydrophobic	false
OAP	O	LEU- 261	2.69	162.15	H-Bond (Ligand Donor)	false
O5P	ND2	ASN- 263	2.81	168.58	H-Bond (Protein Donor)	false