Atomistry » Chlorine » PDB 1ps9-1qhs » 1q4t
Atomistry »
  Chlorine »
    PDB 1ps9-1qhs »
      1q4t »

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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy