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Chlorine in PDB 1dra: Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding

Enzymatic activity of Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding

All present enzymatic activity of Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding:
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding, PDB code: 1dra was solved by S.J.Oatley, J.Kraut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 5.00 / 1.90
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 92.790, 92.790, 74.060, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 1dra:

The structure of Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding (pdb code 1dra). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding, PDB code: 1dra:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1dra

Go back to Chlorine Binding Sites List in 1dra
Chlorine binding site 1 out of 2 in the Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding


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 Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:21.7
occ:1.00
 O A:HOH613 3.1 62.5 1.0
N A:GLY96 3.1 19.6 1.0
O A:HOH469 3.2 29.5 1.0
N A:THR46 3.3 15.2 1.0
OG1 A:THR46 3.4 19.6 1.0
CA A:GLY43 3.5 18.9 1.0
N A:HIS45 3.5 18.3 1.0
C A:GLY43 3.5 20.8 1.0
CB A:HIS45 3.6 17.2 1.0
O A:HOH436 3.6 38.6 1.0
CA A:GLY96 3.7 18.5 1.0
O A:GLY43 3.8 18.9 1.0
N A:GLY43 3.9 19.4 1.0
N A:ARG44 3.9 16.7 1.0
CA A:HIS45 3.9 18.7 1.0
CB A:THR46 3.9 16.2 1.0
O A:HOH428 4.0 43.5 1.0
C A:GLY95 4.1 19.8 1.0
C A:HIS45 4.1 18.5 1.0
O A:GLY95 4.1 21.1 1.0
CA A:THR46 4.2 15.6 1.0
ND1 A:HIS45 4.3 24.6 1.0
O A:HOH470 4.4 43.4 1.0
CG A:HIS45 4.4 20.3 1.0
C A:ARG44 4.4 20.0 1.0
C A:GLY96 4.6 21.9 1.0
CA A:ARG44 4.7 22.5 1.0
CG2 A:VAL99 4.9 21.8 1.0

Chlorine binding site 2 out of 2 in 1dra

Go back to Chlorine Binding Sites List in 1dra
Chlorine binding site 2 out of 2 in the Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding


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 Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:23.1
occ:1.00
 O B:HOH748 3.0 40.4 1.0
N B:GLY96 3.2 17.8 1.0
N B:THR46 3.3 24.7 1.0
OG1 B:THR46 3.3 20.3 1.0
CA B:GLY43 3.4 21.7 1.0
C B:GLY43 3.6 21.9 1.0
N B:HIS45 3.6 24.4 1.0
CA B:GLY96 3.9 19.9 1.0
CB B:HIS45 3.9 33.3 1.0
N B:GLY43 3.9 18.5 1.0
O B:GLY43 3.9 20.5 1.0
CB B:THR46 3.9 21.4 1.0
CA B:HIS45 4.0 28.2 1.0
N B:ARG44 4.0 22.5 1.0
C B:HIS45 4.1 27.0 1.0
C B:GLY95 4.1 19.9 1.0
O B:GLY95 4.1 18.6 1.0
CA B:THR46 4.2 21.6 1.0
O B:HOH747 4.3 58.2 1.0
CD2 B:HIS45 4.5 41.2 1.0
C B:ARG44 4.5 24.6 1.0
CG B:HIS45 4.6 39.9 1.0
CG2 B:VAL99 4.7 22.6 1.0
C B:GLY96 4.8 18.3 1.0
O B:HOH635 4.9 30.4 1.0
CA B:ARG44 4.9 26.2 1.0
O B:HOH639 4.9 32.6 1.0

Reference:

C.Bystroff, J.Kraut. Crystal Structure of Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding. Biochemistry V. 30 2227 1991.
ISSN: ISSN 0006-2960
PubMed: 1998681
DOI: 10.1021/BI00222A028
Page generated: Fri Jul 19 21:38:20 2024

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