scPDB - 1nv9 entry

Protein Data Bank Entry:

PDB ID : 1nv9

Resolution :2.360 Å

Experimental Method : X-ray

Deposition Date : 2003-02-02

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Release factor glutamine methyltransferase
ID:	PRMC_THEMA
AC:	Q9WYV8
Organism:	Thermotoga maritima
Reign:	Bacteria
TaxID:	243274
EC Number:	2.1.1.297

Chains:

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

Ligand binding site composition:

B-Factor:	32.331
Number of residues:	40
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.854	695.250

% Hydrophobic	% Polar
50.97	49.03
According to VolSite

Ligand :

HET Code:	SAH
Formula:	C14H20N6O5S
Molecular weight:	384.411 g/mol
DrugBank ID:	DB01752
Buried Surface Area:	71.29 %
Polar Surface area:	212.38 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	7

Mass center Coordinates

X	Y	Z
23.97	0.797	16.839

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
SD	CD2	PHE- 100	3.36	0	Hydrophobic	false
CG	CD2	PHE- 100	3.35	0	Hydrophobic	false
N	O	GLY- 129	3.11	160.2	H-Bond (Ligand Donor)	false
O2'	OD2	ASP- 151	2.95	157.65	H-Bond (Ligand Donor)	false
C2'	CG2	VAL- 152	4.49	0	Hydrophobic	false
N1	N	PHE- 180	2.84	158.68	H-Bond (Protein Donor)	false
CG	CB	ASN- 197	4.26	0	Hydrophobic	false
OXT	ND2	ASN- 197	2.96	165.94	H-Bond (Protein Donor)	false
SD	CB	ALA- 218	3.7	0	Hydrophobic	false
C3'	CB	ALA- 218	3.63	0	Hydrophobic	false
N	O	HOH- 319	2.92	163.33	H-Bond (Ligand Donor)	false