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Chlorine in PDB 1q4t: Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa

Enzymatic activity of Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa

All present enzymatic activity of Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa:
3.1.2.23;

Protein crystallography data

The structure of Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa, PDB code: 1q4t was solved by J.B.Thoden, Z.Zhuang, D.Dunaway-Mariano, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.60
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 112.500, 112.500, 60.600, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa (pdb code 1q4t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa, PDB code: 1q4t:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1q4t

Go back to Chlorine Binding Sites List in 1q4t
Chlorine binding site 1 out of 4 in the Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa


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 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl152

b:58.5
occ:1.00
 NE A:ARG115 3.4 26.1 1.0
O A:HOH390 3.6 46.8 1.0
C A:ILE116 3.8 25.3 1.0
NH2 A:ARG115 3.8 31.5 1.0
O A:ARG115 3.8 23.8 1.0
O A:ILE116 3.9 25.1 1.0
N A:HIS117 3.9 20.8 1.0
CZ A:ARG115 4.0 36.5 1.0
CA A:HIS117 4.1 20.8 1.0
CG A:ARG115 4.2 20.4 1.0
C A:ARG115 4.3 30.1 1.0
OE2 A:GLU44 4.3 84.9 1.0
CA A:ILE116 4.3 22.1 1.0
N A:ALA118 4.3 22.1 1.0
CD A:ARG115 4.4 26.2 1.0
C A:HIS117 4.4 25.2 1.0
N A:ILE116 4.5 21.2 1.0
CB A:ARG115 4.6 17.0 1.0
O A:HOH413 4.6 35.0 1.0
O A:HOH495 4.7 45.8 1.0
CB A:ALA118 4.8 22.1 1.0

Chlorine binding site 2 out of 4 in 1q4t

Go back to Chlorine Binding Sites List in 1q4t
Chlorine binding site 2 out of 4 in the Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa


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 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl153

b:53.3
occ:1.00
 N A:GLY13 2.6 38.4 1.0
N A:GLY12 2.9 86.0 1.0
O A:HOH422 2.9 48.0 1.0
N A:ALA10 3.0 87.3 1.0
N A:ASN14 3.1 30.7 1.0
N A:LEU15 3.2 29.1 1.0
N A:THR11 3.2 89.5 1.0
CA A:GLY12 3.4 79.1 1.0
CA A:GLY13 3.4 32.0 1.0
C A:THR11 3.4 95.2 1.0
C A:GLY12 3.5 66.1 1.0
C A:GLY13 3.5 36.6 1.0
CA A:THR11 3.7 90.5 1.0
C A:ALA10 3.7 91.0 1.0
CD1 A:TYR26 3.8 33.8 1.0
CB A:LEU15 3.8 24.9 1.0
CD1 A:LEU15 3.9 24.2 1.0
CA A:ALA10 4.0 84.6 1.0
CG A:TYR26 4.0 37.5 1.0
CA A:ASN14 4.0 27.8 1.0
O A:HOH423 4.0 40.6 1.0
CA A:LEU15 4.0 25.8 1.0
CB A:TYR26 4.1 35.3 1.0
C A:ASN14 4.1 33.7 1.0
O A:THR11 4.2 98.3 1.0
CG A:LEU15 4.4 25.1 1.0
O A:HOH424 4.4 88.8 1.0
CE1 A:TYR26 4.4 28.5 1.0
O A:GLY13 4.5 33.4 1.0
O A:ALA10 4.5 94.2 1.0
O A:GLY12 4.7 70.1 1.0
O A:LEU15 4.7 33.5 1.0
CD2 A:LEU15 4.8 25.6 1.0
CD2 A:TYR26 4.8 40.1 1.0
CB A:ALA10 4.8 85.2 1.0
C A:LEU15 4.9 35.8 1.0
O A:HOH432 4.9 41.8 1.0

Chlorine binding site 3 out of 4 in 1q4t

Go back to Chlorine Binding Sites List in 1q4t
Chlorine binding site 3 out of 4 in the Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa


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 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl152

b:54.8
occ:1.00
 NE B:ARG115 3.3 27.6 1.0
O B:HOH391 3.5 41.8 1.0
NH2 B:ARG115 3.6 30.6 1.0
O B:ARG115 3.7 26.3 1.0
C B:ILE116 3.7 25.2 1.0
N B:HIS117 3.9 19.6 1.0
O B:ILE116 3.9 25.6 1.0
CZ B:ARG115 3.9 33.3 1.0
C B:ARG115 4.1 31.1 1.0
O B:HOH464 4.1 63.0 1.0
CA B:ILE116 4.2 22.6 1.0
CA B:HIS117 4.2 22.2 1.0
CG B:ARG115 4.2 19.3 1.0
CD B:ARG115 4.3 23.9 1.0
N B:ILE116 4.3 22.6 1.0
N B:ALA118 4.4 19.6 1.0
O B:HOH421 4.4 32.7 1.0
CB B:ARG115 4.4 18.0 1.0
C B:HIS117 4.4 23.8 1.0
OE2 B:GLU44 4.5 0.0 1.0
CB B:ALA118 4.8 18.5 1.0
CA B:ARG115 5.0 21.1 1.0

Chlorine binding site 4 out of 4 in 1q4t

Go back to Chlorine Binding Sites List in 1q4t
Chlorine binding site 4 out of 4 in the Crystal Structure of 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa


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 4-Hydroxybenzoyl Coa Thioesterase From Arthrobacter Sp. Strain Su Complexed with 4-Hydroxyphenyl Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl153

b:51.5
occ:1.00
 N B:GLY13 2.8 32.5 1.0
N B:GLY12 3.1 72.5 1.0
N B:ASN14 3.4 27.7 1.0
N B:LEU15 3.4 22.2 1.0
CA B:GLY13 3.6 28.0 1.0
CA B:GLY12 3.6 71.0 1.0
CD1 B:TYR26 3.7 34.6 1.0
C B:GLY12 3.7 62.8 1.0
C B:GLY13 3.8 26.1 1.0
CB B:LEU15 3.9 19.8 1.0
CG B:TYR26 3.9 35.7 1.0
CB B:TYR26 3.9 33.0 1.0
CD1 B:LEU15 4.0 23.3 1.0
O B:HOH445 4.1 72.3 1.0
O B:HOH470 4.1 51.2 1.0
O A:HOH445 4.2 31.6 1.0
CA B:LEU15 4.2 22.3 1.0
CA B:ASN14 4.3 25.6 1.0
C B:ASN14 4.3 23.4 1.0
CE1 B:TYR26 4.4 30.9 1.0
CG B:LEU15 4.4 23.2 1.0
CD2 B:TYR26 4.7 35.1 1.0
O B:HOH441 4.7 50.5 1.0
O B:GLY13 4.8 23.1 1.0
CD2 B:LEU15 4.9 21.1 1.0
O B:LEU15 4.9 28.7 1.0
O B:GLY12 4.9 66.8 1.0

Reference:

J.B.Thoden, Z.Zhuang, D.Dunaway-Mariano, H.M.Holden. The Structure of 4-Hydroxybenzoyl-Coa Thioesterase From Arthrobacter Sp. Strain Su J.Biol.Chem. V. 278 43709 2003.
ISSN: ISSN 0021-9258
PubMed: 12907670
DOI: 10.1074/JBC.M308198200
Page generated: Sat Jul 20 01:23:01 2024

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