scPDB - 1x1d entry

Protein Data Bank Entry:

PDB ID : 1x1d

Resolution :2.700 Å

Experimental Method : X-ray

Deposition Date : 2005-04-04

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	C-20 methyltransferase
ID:	Q8KGE0_CHLTE
AC:	Q8KGE0
Organism:	Chlorobium tepidum
Reign:	Bacteria
TaxID:	194439
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	64.914
Number of residues:	38
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.448	1974.375

% Hydrophobic	% Polar
55.56	44.44
According to VolSite

Ligand :

HET Code:	SAH
Formula:	C14H20N6O5S
Molecular weight:	384.411 g/mol
DrugBank ID:	DB01752
Buried Surface Area:	64.95 %
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
39.6006	31.8708	5.99115

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
O3'	OE1	GLU- 147	3.34	127.28	H-Bond (Ligand Donor)	false
O3'	OE2	GLU- 147	2.97	151.35	H-Bond (Ligand Donor)	false
CB	CB	HIS- 150	4.14	0	Hydrophobic	false
N	O	GLY- 177	3.19	168.6	H-Bond (Ligand Donor)	false
O2'	OD1	ASN- 200	2.86	168.73	H-Bond (Ligand Donor)	false
C2'	CD1	LEU- 201	4.24	0	Hydrophobic	false
N6	OD1	ASP- 227	2.69	127.59	H-Bond (Ligand Donor)	false
N1	N	ILE- 228	3.07	160.34	H-Bond (Protein Donor)	false
N	O	CYS- 242	2.54	143.09	H-Bond (Ligand Donor)	false
O	CZ	ARG- 243	3.6	0	Ionic (Protein Cationic)	false
OXT	CZ	ARG- 243	3.16	0	Ionic (Protein Cationic)	false
O	NE	ARG- 243	2.71	151.34	H-Bond (Protein Donor)	false
OXT	NE	ARG- 243	3.05	127.84	H-Bond (Protein Donor)	false
N	O	HOH- 5019	2.83	140.5	H-Bond (Ligand Donor)	false