Chlorine in PDB 2px4: Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2)

Enzymatic activity of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2)

All present enzymatic activity of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2):
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2), PDB code: 2px4 was solved by R.Assenberg, J.Ren, A.Verma, T.S.Walter, D.Alderton, R.J.Hurrelbrink, S.D.Fuller, R.J.Owens, D.I.Stuart, J.M.Grimes, Oxford Protein Productionfacility (Oppf), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	26.44 / 2.20
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	46.400, 68.200, 50.200, 90.00, 115.60, 90.00
*R / R_free (%)*	16.1 / 22.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2) (pdb code 2px4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2), PDB code: 2px4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2px4

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Chlorine Binding Sites List in 2px4

Chlorine binding site 1 out of 3 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl890 b:36.5 occ:1.00	OH	A:TYR119	3.0	32.3	1.0
	N	A:ALA266	3.4	30.3	1.0
	CE1	A:TYR119	3.8	32.6	1.0
	CZ	A:TYR119	3.9	29.0	1.0
	CA	A:ARG265	3.9	31.9	1.0
	CB	A:ALA266	4.2	25.6	1.0
	C	A:ARG265	4.2	31.1	1.0
	CB	A:ARG265	4.3	32.3	1.0
	CA	A:ALA266	4.4	35.4	1.0
	O	A:ALA266	4.6	41.0	1.0
	O	A:THR264	4.6	31.4	1.0
	O	A:HOH1121	4.8	40.0	1.0
	C	A:ALA266	5.0	36.5	1.0

Chlorine binding site 2 out of 3 in 2px4

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Chlorine Binding Sites List in 2px4

Chlorine binding site 2 out of 3 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl925 b:59.6 occ:1.00	OD1	A:ASN259	3.2	62.2	1.0
	N	A:GLY261	3.3	28.6	1.0
	CB	A:ASN259	3.3	45.4	1.0
	CA	A:ASN259	3.5	38.2	1.0
	N	A:LEU260	3.5	34.5	1.0
	CG	A:ASN259	3.6	51.8	1.0
	CA	A:GLY52	3.7	44.1	1.0
	C	A:ASN259	3.7	35.1	1.0
	O	A:GLY51	3.8	54.7	1.0
	CA	A:GLY261	3.8	31.0	1.0
	O	A:GLY52	4.1	38.8	1.0
	C	A:GLY52	4.2	43.6	1.0
	C	A:LEU260	4.3	32.5	1.0
	C	A:GLY51	4.4	51.6	1.0
	N	A:GLY52	4.4	47.6	1.0
	CA	A:LEU260	4.5	35.2	1.0
	O	A:ASN259	4.6	41.4	1.0
	O	A:HOH934	4.8	34.4	1.0
	C	A:GLY261	4.8	30.0	1.0
	ND2	A:ASN259	4.8	66.0	1.0
	O	A:GLY261	4.8	29.1	1.0
	N	A:ASN259	4.9	39.2	1.0

Chlorine binding site 3 out of 3 in 2px4

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Chlorine Binding Sites List in 2px4

Chlorine binding site 3 out of 3 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 2) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl894 b:38.4 occ:1.00	O	A:HOH930	3.0	29.5	1.0
	N	A:GLU149	3.3	43.6	1.0
	CG	A:GLU149	3.7	57.6	1.0
	CB	A:ARG160	3.8	35.8	1.0
	CB	A:GLU149	3.9	45.0	1.0
	CD	A:ARG160	3.9	34.6	1.0
	CA	A:GLY148	4.0	40.4	1.0
	CG	A:ARG160	4.0	36.8	1.0
	CD1	A:ILE164	4.1	42.0	1.0
	C	A:GLY148	4.1	41.4	1.0
	CA	A:GLU149	4.2	39.9	1.0
	CG2	A:ILE147	4.3	37.3	1.0
	N	A:GLY148	4.5	40.6	1.0
	CD	A:GLU149	4.5	59.1	1.0
	O	A:HOH989	4.6	42.2	1.0
	O	A:GLU149	4.7	30.7	1.0
	CG1	A:ILE164	4.7	40.6	1.0
	CA	A:ARG160	4.8	35.4	1.0
	O	A:ARG160	4.8	35.0	1.0
	NE	A:ARG160	4.8	34.1	1.0
	OE1	A:GLU149	4.9	61.0	1.0
	C	A:GLU149	5.0	33.7	1.0
	C	A:ARG160	5.0	33.1	1.0

Reference:

R.Assenberg, J.Ren, A.Verma, T.S.Walter, D.Alderton, R.J.Hurrelbrink, S.D.Fuller, S.Bressanelli, R.J.Owens, D.I.Stuart, J.M.Grimes. Crystal Structure of the Murray Valley Encephalitis Virus NS5 Methyltransferase Domain in Complex with Cap Analogues. J.Gen.Virol. V. 88 2228 2007.
ISSN: ISSN 0022-1317
PubMed: 17622627
DOI: 10.1099/VIR.0.82757-0

Page generated: Sat Jul 20 10:20:39 2024

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