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Chlorine in PDB 3elq: Crystal Structure of A Bacterial Arylsulfate Sulfotransferase

Enzymatic activity of Crystal Structure of A Bacterial Arylsulfate Sulfotransferase

All present enzymatic activity of Crystal Structure of A Bacterial Arylsulfate Sulfotransferase:
2.8.2.22;

Protein crystallography data

The structure of Crystal Structure of A Bacterial Arylsulfate Sulfotransferase, PDB code: 3elq was solved by G.Malojcic, R.L.Owen, J.P.Grimshaw, R.Glockshuber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.90 / 2.00
Space group P 32 1 2
Cell size a, b, c (Å), α, β, γ (°) 181.727, 181.727, 100.428, 90.00, 90.00, 120.00
R / Rfree (%) 20.7 / 24.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase (pdb code 3elq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase, PDB code: 3elq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3elq

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Chlorine binding site 1 out of 8 in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase


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 A Bacterial Arylsulfate Sulfotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5002

b:43.8
occ:1.00
 O A:HOH5047 3.4 35.0 1.0
O A:HOH5051 3.6 49.4 1.0
N A:VAL97 3.7 37.0 1.0
CD1 A:TYR96 3.8 37.0 1.0
O A:VAL97 3.9 36.7 1.0
CA A:TYR96 3.9 38.3 1.0
CB A:TYR96 3.9 38.3 1.0
CB A:ALA9 4.2 39.8 1.0
C A:TYR96 4.4 37.9 1.0
CG A:TYR96 4.4 37.8 1.0
C A:VAL97 4.6 36.1 1.0
CA A:VAL97 4.6 36.7 1.0
O A:HOH5390 4.8 58.0 1.0
O A:ASP95 4.8 39.8 1.0
CE1 A:TYR96 4.9 37.1 1.0
O A:ALA9 4.9 39.9 1.0
CB A:VAL97 4.9 36.8 1.0
CA A:ALA9 4.9 40.1 1.0
O A:HOH5097 4.9 48.4 1.0

Chlorine binding site 2 out of 8 in 3elq

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Chlorine binding site 2 out of 8 in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase


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 A Bacterial Arylsulfate Sulfotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5004

b:66.9
occ:1.00
 N A:GLY47 3.2 48.0 1.0
O A:HOH5132 3.8 60.9 1.0
CA A:GLY47 3.9 49.0 1.0
CZ A:PHE77 4.0 40.9 1.0
CA A:LYS46 4.2 45.8 1.0
C A:LYS46 4.2 46.9 1.0
O A:HOH5084 4.5 43.9 1.0
CG A:LYS46 4.6 46.6 1.0
O A:GLY45 4.6 42.9 1.0
CE1 A:PHE77 4.7 41.7 1.0
CB A:LYS46 4.9 45.9 1.0
O A:HOH5122 5.0 59.2 1.0
C A:GLY47 5.0 49.8 1.0

Chlorine binding site 3 out of 8 in 3elq

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Chlorine binding site 3 out of 8 in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase


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 A Bacterial Arylsulfate Sulfotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5008

b:58.6
occ:1.00
 O A:HOH5017 3.1 39.1 1.0
CD2 A:HIS99 3.7 36.1 1.0
O A:HOH5320 3.7 46.2 1.0
C A:PHE77 3.9 37.1 1.0
O A:HOH5493 3.9 66.1 1.0
N A:ALA78 4.0 36.2 1.0
CA A:PHE77 4.0 37.9 1.0
N A:PHE77 4.0 38.2 1.0
O A:HOH5441 4.1 56.2 1.0
O A:LYS76 4.1 38.6 1.0
C A:LYS76 4.2 38.6 1.0
O A:PHE77 4.4 36.6 1.0
NE2 A:HIS99 4.5 36.7 1.0
CA A:ALA78 4.7 35.7 1.0
CG A:HIS99 4.7 35.7 1.0
CB A:ALA78 4.7 35.5 1.0

Chlorine binding site 4 out of 8 in 3elq

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Chlorine binding site 4 out of 8 in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase


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 A Bacterial Arylsulfate Sulfotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl5001

b:45.7
occ:1.00
 O B:HOH5042 3.3 36.0 1.0
O B:HOH5088 3.5 50.6 1.0
N B:VAL97 3.6 37.5 1.0
CD1 B:TYR96 3.9 37.7 1.0
CA B:TYR96 3.9 38.9 1.0
O B:VAL97 4.0 37.0 1.0
CB B:TYR96 4.0 38.8 1.0
C B:TYR96 4.3 38.3 1.0
CB B:ALA9 4.3 40.0 1.0
O B:HOH5120 4.4 59.3 1.0
CG B:TYR96 4.4 37.7 1.0
CA B:VAL97 4.5 36.9 1.0
C B:VAL97 4.6 36.6 1.0
O B:ASP95 4.8 41.0 1.0
CB B:VAL97 4.9 37.2 1.0
CE1 B:TYR96 4.9 38.1 1.0
O B:ALA9 4.9 40.0 1.0
O B:HOH5101 5.0 49.2 1.0
CA B:ALA9 5.0 40.0 1.0

Chlorine binding site 5 out of 8 in 3elq

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Chlorine binding site 5 out of 8 in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase


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 A Bacterial Arylsulfate Sulfotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl5006

b:40.8
occ:1.00
 N B:GLU214 3.2 34.9 1.0
O B:HOH5179 3.2 36.5 1.0
NE B:ARG213 3.4 32.6 1.0
O B:HOH5295 3.4 57.3 1.0
O B:HOH5124 3.6 49.6 1.0
CA B:ARG213 3.8 33.4 1.0
CD2 B:LEU562 3.8 38.7 1.0
CD B:ARG213 3.9 34.4 1.0
CB B:GLU214 3.9 36.0 1.0
C B:ARG213 4.0 34.0 1.0
CB B:ARG213 4.1 32.9 1.0
CA B:GLU214 4.1 35.1 1.0
OE2 B:GLU505 4.3 45.8 1.0
CZ B:ARG213 4.4 34.0 1.0
NH2 B:ARG213 4.5 33.9 1.0
CG B:ARG213 4.6 34.4 1.0
CG B:LEU562 4.6 37.4 1.0
O B:ILE212 4.7 32.3 1.0
O B:GLU214 4.8 35.0 1.0
O B:HOH5309 4.9 36.1 1.0

Chlorine binding site 6 out of 8 in 3elq

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Chlorine binding site 6 out of 8 in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase


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 A Bacterial Arylsulfate Sulfotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl5007

b:69.4
occ:1.00
 OE1 B:GLU491 2.8 57.9 1.0
O B:HOH5341 3.2 47.2 1.0
OE2 B:GLU491 3.5 58.1 1.0
CD B:GLU491 3.5 55.4 1.0
O B:HOH5506 3.5 44.8 1.0
O B:GLU487 3.8 46.7 1.0
CA B:TYR488 3.9 46.1 1.0
CG B:GLU487 4.1 49.2 1.0
C B:GLU487 4.1 46.9 1.0
N B:TYR488 4.1 46.3 1.0
CE B:LYS490 4.2 50.6 1.0
CD B:GLU487 4.3 51.3 1.0
O B:HOH5109 4.4 62.7 1.0
N B:GLY489 4.4 46.5 1.0
CB B:LYS490 4.5 48.4 1.0
OE1 B:GLU487 4.5 52.3 1.0
C B:TYR488 4.5 46.4 1.0
N B:LYS490 4.7 47.1 1.0
NZ B:LYS490 4.8 51.8 1.0
CE B:LYS541 4.8 52.0 1.0
OE2 B:GLU487 4.8 53.8 1.0
CB B:GLU487 4.8 47.6 1.0
CD B:LYS541 5.0 51.4 1.0
CB B:TYR488 5.0 46.3 1.0

Chlorine binding site 7 out of 8 in 3elq

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Chlorine binding site 7 out of 8 in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase


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 A Bacterial Arylsulfate Sulfotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl5009

b:81.8
occ:1.00
 O B:HOH5405 3.8 36.0 1.0
CD1 B:LEU116 4.1 34.7 1.0
NE2 B:GLN118 4.4 43.5 1.0
CB B:LEU116 4.6 36.0 1.0
O B:HOH5122 4.6 54.5 1.0
CG B:LEU116 4.6 36.5 1.0
O B:HOH5501 4.7 60.5 1.0
OE1 B:GLN118 4.8 45.7 1.0
NE2 B:GLN75 5.0 39.5 1.0
OD1 B:ASP115 5.0 40.7 1.0

Chlorine binding site 8 out of 8 in 3elq

Go back to Chlorine Binding Sites List in 3elq
Chlorine binding site 8 out of 8 in the Crystal Structure of A Bacterial Arylsulfate Sulfotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of A Bacterial Arylsulfate Sulfotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl5010

b:50.9
occ:1.00
 O B:HOH5444 2.5 45.9 1.0
NZ B:LYS308 2.7 56.1 1.0
NH2 B:ARG273 3.6 47.6 1.0
NH1 B:ARG352 3.7 47.4 1.0
NH1 B:ARG273 4.0 47.0 1.0
CE B:LYS308 4.1 55.6 1.0
O B:HOH5131 4.3 51.3 1.0
CZ B:ARG273 4.3 47.4 1.0
O B:VAL348 4.5 43.8 1.0
CA B:GLY349 4.6 43.8 1.0
CZ B:ARG352 4.7 46.5 1.0
NH2 B:ARG352 4.8 47.1 1.0

Reference:

G.Malojcic, R.L.Owen, J.P.Grimshaw, M.S.Brozzo, H.Dreher-Teo, R.Glockshuber. A Structural and Biochemical Basis For Paps-Independent Sulfuryl Transfer By Aryl Sulfotransferase From Uropathogenic Escherichia Coli. Proc.Natl.Acad.Sci.Usa V. 105 19217 2008.
ISSN: ISSN 0027-8424
PubMed: 19036922
DOI: 10.1073/PNAS.0806997105
Page generated: Sat Dec 12 09:40:23 2020

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