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Chlorine in PDB 4one: Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis

Enzymatic activity of Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis

All present enzymatic activity of Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis:
1.1.1.100;

Protein crystallography data

The structure of Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis, PDB code: 4one was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.18 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.400, 125.520, 65.320, 90.00, 104.69, 90.00
R / Rfree (%) 13.2 / 15.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis (pdb code 4one). 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 A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis, PDB code: 4one:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4one

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Chlorine binding site 1 out of 4 in the Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis


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 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:21.2
occ:1.00
 O A:HOH467 3.1 27.4 1.0
N A:ALA92 3.2 15.7 1.0
NH2 A:ARG95 3.4 38.7 1.0
NH1 A:ARG155 3.4 18.2 1.0
NE A:ARG95 3.5 33.0 1.0
CD A:ARG155 3.6 16.8 1.0
CA A:GLY91 3.7 15.6 1.0
CZ A:ARG95 3.8 39.8 1.0
CG A:TYR158 3.9 13.0 1.0
CB A:ALA92 3.9 16.3 1.0
C A:GLY91 4.0 15.4 1.0
CD1 A:TYR158 4.0 13.4 1.0
CB A:TYR158 4.1 12.9 1.0
CA A:ALA92 4.2 16.1 1.0
CD2 A:TYR158 4.2 13.1 1.0
CZ A:ARG155 4.3 18.1 1.0
NE A:ARG155 4.3 17.6 1.0
CB A:ARG155 4.4 15.0 1.0
CG A:ARG155 4.4 15.8 1.0
CE1 A:TYR158 4.5 13.5 1.0
CD A:ARG95 4.7 29.2 1.0
CE2 A:TYR158 4.7 13.5 1.0
CG A:ARG95 4.7 25.3 1.0
CZ A:TYR158 4.8 14.0 1.0
O A:ALA92 4.8 18.4 1.0

Chlorine binding site 2 out of 4 in 4one

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Chlorine binding site 2 out of 4 in the Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis


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 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:22.1
occ:1.00
 O B:HOH588 3.1 30.9 1.0
N B:ALA92 3.2 16.2 1.0
NH2 B:ARG95 3.2 39.3 1.0
NH1 B:ARG155 3.3 18.3 1.0
NE B:ARG95 3.6 34.9 1.0
CD B:ARG155 3.7 17.4 1.0
CA B:GLY91 3.7 15.6 1.0
CZ B:ARG95 3.8 39.4 1.0
CG B:TYR158 3.8 13.6 1.0
CB B:ALA92 3.9 17.5 1.0
C B:GLY91 4.0 16.2 1.0
CD1 B:TYR158 4.0 13.9 1.0
CB B:TYR158 4.1 13.1 1.0
CA B:ALA92 4.1 17.0 1.0
CD2 B:TYR158 4.2 13.7 1.0
CZ B:ARG155 4.3 18.4 1.0
NE B:ARG155 4.4 18.0 1.0
CG B:ARG155 4.4 16.5 1.0
CB B:ARG155 4.4 15.9 1.0
CE1 B:TYR158 4.5 14.2 1.0
CE2 B:TYR158 4.6 14.0 1.0
CZ B:TYR158 4.7 14.3 1.0
CD B:ARG95 4.8 31.2 1.0
CG B:ARG95 4.8 28.1 1.0
O B:ALA92 4.9 18.8 1.0

Chlorine binding site 3 out of 4 in 4one

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Chlorine binding site 3 out of 4 in the Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis


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 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:24.6
occ:1.00
 O C:HOH537 3.2 30.3 1.0
N C:ALA92 3.2 17.7 1.0
NH1 C:ARG155 3.3 21.6 1.0
CD C:ARG155 3.7 19.3 1.0
CA C:GLY91 3.8 16.8 1.0
CG C:TYR158 3.8 14.0 1.0
CB C:ALA92 3.9 18.5 1.0
CD1 C:TYR158 4.0 14.2 1.0
C C:GLY91 4.0 17.5 1.0
CB C:TYR158 4.1 13.8 1.0
CD2 C:TYR158 4.2 14.0 1.0
NE C:ARG95 4.2 42.1 1.0
CA C:ALA92 4.2 18.2 1.0
CZ C:ARG155 4.3 21.1 1.0
CB C:ARG155 4.4 16.8 1.0
CG C:ARG155 4.4 18.0 1.0
NE C:ARG155 4.4 19.9 1.0
CE1 C:TYR158 4.5 15.0 1.0
CE2 C:TYR158 4.6 14.7 1.0
CD C:ARG95 4.7 35.5 1.0
CZ C:TYR158 4.8 14.6 1.0
CG C:ARG95 4.8 30.9 1.0
O C:ALA92 4.9 19.1 1.0

Chlorine binding site 4 out of 4 in 4one

Go back to Chlorine Binding Sites List in 4one
Chlorine binding site 4 out of 4 in the Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis


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 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:21.1
occ:1.00
 O D:HOH499 3.0 25.7 1.0
N D:ALA92 3.2 16.2 1.0
NH1 D:ARG155 3.4 19.2 1.0
CD D:ARG155 3.6 17.9 1.0
CA D:GLY91 3.7 15.1 1.0
CG D:TYR158 3.8 13.4 1.0
CB D:ALA92 3.9 16.6 1.0
CD1 D:TYR158 3.9 13.6 1.0
C D:GLY91 4.0 15.7 1.0
CB D:TYR158 4.0 13.0 1.0
CA D:ALA92 4.1 16.6 1.0
CD2 D:TYR158 4.2 13.3 1.0
CZ D:ARG155 4.3 19.0 1.0
CB D:ARG155 4.4 16.3 1.0
NE D:ARG155 4.4 18.5 1.0
CG D:ARG155 4.4 17.0 1.0
CD D:ARG95 4.4 27.8 1.0
CE1 D:TYR158 4.5 14.2 1.0
O D:HOH579 4.6 42.0 1.0
CE2 D:TYR158 4.7 13.5 1.0
CG D:ARG95 4.7 24.8 1.0
CZ D:TYR158 4.8 13.8 1.0
O D:ALA92 4.8 18.7 1.0

Reference:

D.M.Dranow, E.Vogan, T.E.Edwards, D.Lorimer. Crystal Structure of A 3-Oxoacyl-[Acyl-Carrier Protein] Reductase From Brucella Melitensis To Be Published.
Page generated: Thu Jul 25 23:30:19 2024

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