scPDB - 4dxd entry

Protein Data Bank Entry:

PDB ID : 4dxd

Resolution :2.010 Å

Experimental Method : X-ray

Deposition Date : 2012-02-27

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Cell division protein FtsZ
ID:	FTSZ_STAAU
AC:	P0A031
Organism:	Staphylococcus aureus
Reign:	Bacteria
TaxID:	1280
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	33.401
Number of residues:	39
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.053	442.125

% Hydrophobic	% Polar
56.49	43.51
According to VolSite

Ligand :

HET Code:	9PC
Formula:	C14H8ClF2N3O2S
Molecular weight:	355.747 g/mol
DrugBank ID:	-
Buried Surface Area:	78.15 %
Polar Surface area:	106.34 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

Mass center Coordinates

X	Y	Z
-13.7561	41.85	18.2386

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
CL	CB	GLN- 192	3.92	0	Hydrophobic	false
C4	CB	ASP- 199	4.14	0	Hydrophobic	false
F1	CD1	LEU- 200	3.45	0	Hydrophobic	false
C6	CB	LEU- 200	4.29	0	Hydrophobic	false
S	CD1	LEU- 200	3.95	0	Hydrophobic	false
C13	CG	LEU- 200	3.78	0	Hydrophobic	false
C5	CB	LEU- 200	3.7	0	Hydrophobic	false
F	CB	VAL- 203	3.28	0	Hydrophobic	false
O	N	GLY- 205	3.45	128.95	H-Bond (Protein Donor)	false
N	O	VAL- 207	3.05	157.19	H-Bond (Ligand Donor)	false
F1	CD1	LEU- 209	3.59	0	Hydrophobic	false
O	N	LEU- 209	2.97	169.5	H-Bond (Protein Donor)	false
CL	CB	MET- 226	4.06	0	Hydrophobic	false
C12	CB	ILE- 228	4.48	0	Hydrophobic	false
CL	CB	ILE- 228	4.4	0	Hydrophobic	false
S	CD2	LEU- 261	4.37	0	Hydrophobic	false
N	OD1	ASN- 263	2.89	172.69	H-Bond (Ligand Donor)	false
F1	CB	ASN- 263	3.23	0	Hydrophobic	false
F	CG2	VAL- 297	3.29	0	Hydrophobic	false
C3	CG2	VAL- 297	3.56	0	Hydrophobic	false
C1	CG2	VAL- 297	3.36	0	Hydrophobic	false
C11	CB	THR- 309	4.29	0	Hydrophobic	false
C12	CG2	THR- 309	3.68	0	Hydrophobic	false
S	CB	THR- 309	3.99	0	Hydrophobic	false