scPDB - 4u0z entry

Protein Data Bank Entry:

PDB ID : 4u0z

Resolution :2.950 Å

Experimental Method : X-ray

Deposition Date : 2014-07-14

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Adenosine monophosphate-protein transferase FICD
ID:	FICD_HUMAN
AC:	Q9BVA6
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.7.n1

Chains:

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

Ligand binding site composition:

B-Factor:	33.193
Number of residues:	34
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	MG

Cavity properties

Ligandability	Volume (Å3)
0.273	506.250

% Hydrophobic	% Polar
43.33	56.67
According to VolSite

Ligand :

HET Code:	APC
Formula:	C11H14N5O12P3
Molecular weight:	501.176 g/mol
DrugBank ID:	DB02596
Buried Surface Area:	66.84 %
Polar Surface area:	310.64 Å2

Number of
H-Bond Acceptors:	16
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
15.9741	-19.1712	12.9492

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
C1'	CG1	VAL- 316	4.15	0	Hydrophobic	false
C5'	CG1	VAL- 316	4.11	0	Hydrophobic	false
C2'	CG2	VAL- 360	4.46	0	Hydrophobic	false
C1'	CG1	VAL- 360	3.76	0	Hydrophobic	false
O1A	NE2	HIS- 363	2.9	161.21	H-Bond (Protein Donor)	false
O1B	N	GLY- 368	2.89	166.1	H-Bond (Protein Donor)	false
O2B	N	ASN- 369	2.81	154.06	H-Bond (Protein Donor)	false
O2B	ND2	ASN- 369	2.9	157.28	H-Bond (Protein Donor)	false
O1G	N	ARG- 371	3.05	149.37	H-Bond (Protein Donor)	false
O1G	NE	ARG- 371	2.87	173.32	H-Bond (Protein Donor)	false
O3G	NH2	ARG- 371	3.45	124.3	H-Bond (Protein Donor)	false
O1G	CZ	ARG- 371	3.73	0	Ionic (Protein Cationic)	false
O3G	CZ	ARG- 371	3.89	0	Ionic (Protein Cationic)	false
O2G	CZ	ARG- 374	3.98	0	Ionic (Protein Cationic)	false
O2G	NH2	ARG- 374	3.17	163.19	H-Bond (Protein Donor)	false
O3'	NH1	ARG- 374	3.45	161.33	H-Bond (Protein Donor)	false
C2'	CE2	TYR- 399	4.23	0	Hydrophobic	false
O2'	OH	TYR- 399	3.19	156.71	H-Bond (Ligand Donor)	false
C3'	CZ	TYR- 400	3.72	0	Hydrophobic	false
C2'	CD1	LEU- 403	3.68	0	Hydrophobic	false
N1	ND2	ASN- 407	2.77	158.74	H-Bond (Protein Donor)	false