scPDB - 3fzm entry

Protein Data Bank Entry:

PDB ID : 3fzm

Resolution :2.300 Å

Experimental Method : X-ray

Deposition Date : 2009-01-26

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Heat shock cognate 71 kDa protein
ID:	HSP7C_HUMAN
AC:	P11142
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	36.679
Number of residues:	32
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.555	1049.625

% Hydrophobic	% Polar
34.73	65.27
According to VolSite

Ligand :

HET Code:	3GO
Formula:	C28H26N8O4
Molecular weight:	538.557 g/mol
DrugBank ID:	-
Buried Surface Area:	50.3 %
Polar Surface area:	177.24 Å2

Number of
H-Bond Acceptors:	11
H-Bond Donors:	4
Rings:	6
Aromatic rings:	5
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
19.2432	-2.81025	3.0317

Binding mode :

What is Poseview ?

2D View
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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
C16	CE1	TYR- 15	4.11	0	Hydrophobic	false
C22	CZ	TYR- 15	3.49	0	Hydrophobic	false
O34	OE1	GLU- 268	2.74	148.8	H-Bond (Ligand Donor)	false
O34	NZ	LYS- 271	2.59	158.18	H-Bond (Protein Donor)	false
O33	NZ	LYS- 271	3.45	128.17	H-Bond (Protein Donor)	false
DuAr	CZ	ARG- 272	3.48	176.33	Pi/Cation	false
C28	CD	ARG- 272	3.53	0	Hydrophobic	false
C28	CD	ARG- 272	3.53	0	Hydrophobic	false
C26	CD	ARG- 272	4.24	0	Hydrophobic	false
N7	NH1	ARG- 342	3.2	125.8	H-Bond (Protein Donor)	false