Chlorine in PDB 2px2: Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1)

Enzymatic activity of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1)

All present enzymatic activity of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1):
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 1), PDB code: 2px2 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) 27.40 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.400, 68.300, 82.000, 90.00, 98.40, 90.00
R / Rfree (%) 20 / 27.3

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 1) (pdb code 2px2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 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 1), PDB code: 2px2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 2px2

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Chlorine binding site 1 out of 7 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1)


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 1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:40.0
occ:1.00
 OH A:TYR119 3.1 31.7 1.0
N A:ALA266 3.4 40.1 1.0
CA A:ARG265 3.7 30.4 1.0
CE1 A:TYR119 3.8 32.8 1.0
CZ A:TYR119 3.9 23.4 1.0
C A:ARG265 4.1 40.5 1.0
CB A:ARG265 4.1 37.7 1.0
CB A:ALA266 4.3 47.5 1.0
O A:THR264 4.4 36.3 1.0
CA A:ALA266 4.4 46.3 1.0
O A:HOH621 4.7 68.4 1.0
O A:ALA266 4.8 51.8 1.0
N A:ARG265 4.8 31.2 1.0

Chlorine binding site 2 out of 7 in 2px2

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Chlorine binding site 2 out of 7 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1)


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 1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:37.7
occ:1.00
 NZ A:LYS61 3.2 52.3 1.0
ND2 A:ASN216 3.2 30.5 1.0
N A:ARG213 3.2 32.6 1.0
CA A:SER212 3.7 35.2 1.0
O A:HOH645 3.9 40.6 1.0
C A:SER212 4.0 37.2 1.0
CE A:LYS61 4.0 50.5 1.0
CB A:ARG213 4.1 33.0 1.0
OE2 A:GLU218 4.1 40.0 1.0
CA A:ARG213 4.3 39.8 1.0
CD A:ARG213 4.3 46.2 1.0
CB A:SER212 4.3 32.6 1.0
CG A:ASN216 4.4 37.0 1.0
CG A:ARG213 4.4 38.6 1.0
O A:LEU211 4.4 32.4 1.0
O A:HOH538 4.5 31.0 1.0
CD A:GLU218 4.7 60.6 1.0
N A:SER212 4.7 37.0 1.0
OG A:SER212 4.8 29.3 1.0
OD1 A:ASN216 4.8 43.7 1.0
OE1 A:GLU218 4.9 40.2 1.0
C A:LEU211 5.0 37.1 1.0

Chlorine binding site 3 out of 7 in 2px2

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Chlorine binding site 3 out of 7 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1)


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 1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl510

b:37.7
occ:1.00
 O A:HOH517 2.9 29.0 1.0
N A:GLU149 3.1 34.0 1.0
O A:HOH738 3.2 51.7 1.0
CB A:GLU149 3.4 39.3 1.0
CA A:GLU149 3.8 35.2 1.0
CD A:ARG160 3.9 33.7 1.0
CB A:ARG160 3.9 37.8 1.0
C A:GLY148 4.1 38.6 1.0
CG A:ARG160 4.1 38.3 1.0
CD1 A:ILE164 4.1 39.4 1.0
CA A:GLY148 4.1 38.5 1.0
O A:HOH603 4.4 46.4 1.0
O A:GLU149 4.4 36.5 1.0
CG2 A:ILE147 4.5 34.7 1.0
N A:GLY148 4.5 35.3 1.0
NE A:ARG160 4.6 36.9 1.0
C A:GLU149 4.6 40.9 1.0
CG A:GLU149 4.8 49.0 1.0
CA A:ARG160 4.9 39.6 1.0
CG1 A:ILE164 5.0 37.5 1.0

Chlorine binding site 4 out of 7 in 2px2

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Chlorine binding site 4 out of 7 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:40.2
occ:1.00
 OH B:TYR119 2.9 36.2 1.0
N B:ALA266 3.6 42.4 1.0
CZ B:TYR119 3.9 41.6 1.0
CE1 B:TYR119 4.0 34.9 1.0
CA B:ARG265 4.0 40.9 1.0
CB B:ARG265 4.2 41.8 1.0
C B:ARG265 4.3 39.2 1.0
CB B:ALA266 4.3 54.1 1.0
CA B:ALA266 4.6 50.7 1.0
O B:THR264 4.6 34.8 1.0
O B:ALA266 4.8 46.6 1.0

Chlorine binding site 5 out of 7 in 2px2

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Chlorine binding site 5 out of 7 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:36.7
occ:1.00
 ND2 B:ASN216 3.2 42.4 1.0
NZ B:LYS61 3.2 44.4 1.0
N B:ARG213 3.3 32.9 1.0
NH1 B:ARG57 3.5 86.9 1.0
NH2 B:ARG57 3.5 81.7 1.0
CD B:ARG213 3.8 47.3 1.0
CA B:SER212 3.8 35.0 1.0
CZ B:ARG57 3.9 90.7 1.0
C B:SER212 4.0 30.6 1.0
OE2 B:GLU218 4.1 41.5 1.0
CE B:LYS61 4.1 46.6 1.0
CG B:ARG213 4.1 35.2 1.0
CB B:ARG213 4.2 33.4 1.0
CG B:ASN216 4.3 46.0 1.0
CA B:ARG213 4.3 29.6 1.0
O B:LEU211 4.4 42.4 1.0
O B:HOH514 4.4 33.5 1.0
CD B:GLU218 4.5 58.3 1.0
CB B:SER212 4.5 43.7 1.0
OE1 B:GLU218 4.5 47.2 1.0
OD1 B:ASN216 4.6 44.2 1.0
NH1 B:ARG213 4.8 65.6 1.0
N B:SER212 4.8 42.0 1.0
NE B:ARG213 4.8 50.5 1.0
OG B:SER212 4.9 36.7 1.0

Chlorine binding site 6 out of 7 in 2px2

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Chlorine binding site 6 out of 7 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:41.8
occ:1.00
 O B:HOH549 3.0 33.5 1.0
O B:HOH753 3.1 47.2 1.0
N B:GLU149 3.3 40.1 1.0
CB B:GLU149 3.7 42.2 1.0
CB B:ARG160 3.9 39.2 1.0
CA B:GLY148 3.9 39.2 1.0
CD1 B:ILE164 4.0 32.3 1.0
C B:GLY148 4.1 45.0 1.0
CG B:ARG160 4.1 37.2 1.0
CA B:GLU149 4.1 41.6 1.0
CD B:ARG160 4.2 35.2 1.0
CG2 B:ILE147 4.3 38.1 1.0
O B:HOH661 4.4 53.3 1.0
N B:GLY148 4.5 34.9 1.0
CG1 B:ILE164 4.7 30.2 1.0
O B:GLU149 4.7 38.1 1.0
OE1 B:GLU149 4.9 54.5 1.0
CA B:ARG160 4.9 31.9 1.0
C B:GLU149 5.0 43.1 1.0
CG B:GLU149 5.0 52.0 1.0

Chlorine binding site 7 out of 7 in 2px2

Go back to Chlorine Binding Sites List in 2px2
Chlorine binding site 7 out of 7 in the Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase Domain in Complex with Sah (Monoclinic Form 1) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl529

b:48.7
occ:1.00
 N B:ARG208 2.7 34.7 1.0
O B:HOH596 3.1 52.3 1.0
CA B:VAL207 3.5 36.3 1.0
C B:VAL207 3.5 31.4 1.0
CB B:ARG208 3.6 34.5 1.0
CA B:ARG208 3.7 38.7 1.0
CE B:MET219 3.8 30.9 1.0
O B:LEU206 4.0 37.5 1.0
O B:ARG208 4.2 36.4 1.0
OG1 B:THR236 4.2 38.7 1.0
C B:ARG208 4.4 34.7 1.0
CB B:VAL207 4.5 39.0 1.0
N B:VAL207 4.5 34.6 1.0
C B:LEU206 4.6 36.2 1.0
O B:VAL207 4.7 33.7 1.0
CB B:ALA232 4.8 34.2 1.0
CG B:ARG208 4.9 33.2 1.0
O B:HOH884 4.9 46.8 1.0
O B:ALA232 4.9 32.6 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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