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Chlorine in PDB 5dfr: 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: 5dfr was solved by C.Bystroff, J.Kraut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.30
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 68.730, 68.730, 83.350, 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 Unliganded Escherichia Coli Dihydrofolate Reductase. Ligand-Induced Conformational Changes and Cooperativity in Binding (pdb code 5dfr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 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: 5dfr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5dfr

Go back to Chlorine Binding Sites List in 5dfr
Chlorine binding site 1 out of 3 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:Cl501

b:47.0
occ:1.00
 O A:HOH338 2.6 33.1 1.0
O A:HOH372 2.6 61.3 1.0
NZ A:LYS32 3.4 50.4 1.0
CE A:LYS32 3.9 45.8 1.0
CD2 A:LEU36 4.2 17.3 1.0
CD A:LYS32 5.0 38.2 1.0

Chlorine binding site 2 out of 3 in 5dfr

Go back to Chlorine Binding Sites List in 5dfr
Chlorine binding site 2 out of 3 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
A:Cl502

b:35.7
occ:1.00
 CB A:HIS114 2.9 34.9 1.0
CD2 A:HIS114 3.2 55.0 1.0
CG A:HIS114 3.3 52.3 1.0
OE2 A:GLU154 3.8 19.6 1.0
CA A:HIS114 3.9 27.1 1.0
N A:HIS114 4.1 18.9 1.0
CB A:LEU112 4.3 15.3 1.0
NE2 A:HIS114 4.5 57.9 1.0
CB A:GLU154 4.5 12.9 1.0
CL A:CL503 4.6 56.0 1.0
O A:HOH361 4.6 37.9 1.0
ND1 A:HIS114 4.7 53.7 1.0
C A:THR113 4.7 16.7 1.0
O A:CYS152 4.8 15.2 1.0
O A:HOH330 4.8 37.7 1.0
CD A:GLU154 4.9 18.5 1.0
CD1 A:LEU112 4.9 22.8 1.0

Chlorine binding site 3 out of 3 in 5dfr

Go back to Chlorine Binding Sites List in 5dfr
Chlorine binding site 3 out of 3 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 3 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:Cl503

b:56.0
occ:1.00
 OG A:SER138 4.0 21.9 1.0
OE2 A:GLU154 4.0 19.6 1.0
CD A:GLU154 4.1 18.5 1.0
SG A:CYS152 4.1 17.6 1.0
CZ A:PHE140 4.2 11.6 1.0
OE1 A:GLU154 4.5 21.9 1.0
CG A:GLU154 4.5 12.3 1.0
CL A:CL502 4.6 35.7 1.0
CE2 A:PHE140 4.6 18.4 1.0
CB A:GLU154 4.8 12.9 1.0
O A:HOH351 4.9 34.5 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 26 06:41:34 2024

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