scPDB - 3ggc entry

Protein Data Bank Entry:

PDB ID : 3ggc

Resolution :2.780 Å

Experimental Method : X-ray

Deposition Date : 2009-02-27

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Hypoxanthine-guanine phosphoribosyltransferase
ID:	HPRT_HUMAN
AC:	P00492
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.4.2.8

Chains:

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

Ligand binding site composition:

B-Factor:	22.633
Number of residues:	20
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.707	864.000

% Hydrophobic	% Polar
35.55	64.45
According to VolSite

Ligand :

HET Code:	H26
Formula:	C9H11N4O5P
Molecular weight:	286.181 g/mol
DrugBank ID:	-
Buried Surface Area:	59.15 %
Polar Surface area:	141.51 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	1
Rings:	2
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
17.2786	14.0317	17.4646

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
CAG	CG2	ILE- 135	4.22	0	Hydrophobic	false
CAJ	CG2	ILE- 135	4.22	0	Hydrophobic	false
OAC	N	ASP- 137	3.01	171.28	H-Bond (Protein Donor)	false
CAJ	CB	ASP- 137	4.1	0	Hydrophobic	false
OAD	OG1	THR- 138	3	164.29	H-Bond (Protein Donor)	false
OAD	N	THR- 138	3.01	167.58	H-Bond (Protein Donor)	false
OAC	N	GLY- 139	2.9	155.07	H-Bond (Protein Donor)	false
OAE	N	THR- 141	3.11	151.72	H-Bond (Protein Donor)	false
O6	NZ	LYS- 165	3.07	133.44	H-Bond (Protein Donor)	false
N1	O	VAL- 187	2.76	157.53	H-Bond (Ligand Donor)	false
O6	N	VAL- 187	2.9	169.72	H-Bond (Protein Donor)	false