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Chlorine in PDB 1dyi: Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications

Enzymatic activity of Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications

All present enzymatic activity of Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications:
1.5.1.3;

Protein crystallography data

The structure of Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications, PDB code: 1dyi was solved by V.M.Reyes, J.Kraut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.90
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 93.066, 93.066, 73.810, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 1dyi:

The structure of Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications (pdb code 1dyi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications, PDB code: 1dyi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1dyi

Go back to Chlorine Binding Sites List in 1dyi
Chlorine binding site 1 out of 2 in the Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:20.9
occ:1.00
 N A:GLY96 3.1 12.2 1.0
O A:HOH467 3.1 31.4 1.0
N A:THR46 3.3 17.9 1.0
N A:HIS45 3.4 15.8 1.0
CA A:GLY43 3.5 13.9 1.0
CB A:HIS45 3.5 23.0 1.0
OG1 A:THR46 3.5 16.8 1.0
C A:GLY43 3.5 18.3 1.0
CA A:GLY96 3.6 14.2 1.0
CA A:HIS45 3.8 13.6 1.0
O A:HOH602 3.9 78.1 1.0
N A:ARG44 3.9 16.9 1.0
N A:GLY43 3.9 14.4 1.0
O A:GLY43 3.9 21.6 1.0
O A:HOH437 4.0 46.4 1.0
ND1 A:HIS45 4.0 30.1 1.0
C A:HIS45 4.0 16.9 1.0
C A:GLY95 4.1 13.0 1.0
CB A:THR46 4.1 14.7 1.0
O A:GLY95 4.2 18.3 1.0
O A:HOH429 4.2 40.6 1.0
CG A:HIS45 4.2 18.2 1.0
CA A:THR46 4.3 11.7 1.0
O A:HOH468 4.3 38.9 1.0
C A:ARG44 4.4 20.0 1.0
C A:GLY96 4.6 17.9 1.0
CA A:ARG44 4.7 16.3 1.0
O A:HOH603 5.0 51.2 1.0
O A:HOH419 5.0 40.6 1.0

Chlorine binding site 2 out of 2 in 1dyi

Go back to Chlorine Binding Sites List in 1dyi
Chlorine binding site 2 out of 2 in the Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5- Deazafolate and 5,10-Dideazatetrahydrofolate: Mechanistic Implications within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:23.0
occ:1.00
 O B:HOH541 3.1 30.0 1.0
N B:GLY96 3.2 19.0 1.0
N B:THR46 3.2 19.5 1.0
OG1 B:THR46 3.4 21.3 1.0
CA B:GLY43 3.5 18.6 1.0
N B:HIS45 3.5 22.9 1.0
C B:GLY43 3.6 19.1 1.0
CB B:THR46 3.8 17.3 1.0
CA B:GLY96 3.9 14.2 1.0
CB B:HIS45 3.9 31.6 1.0
CA B:HIS45 3.9 22.7 1.0
N B:GLY43 3.9 14.4 1.0
N B:ARG44 4.0 15.3 1.0
O B:GLY43 4.0 21.3 1.0
C B:HIS45 4.0 20.5 1.0
CA B:THR46 4.1 19.8 1.0
C B:GLY95 4.1 16.2 1.0
O B:GLY95 4.1 17.3 1.0
O B:HOH540 4.1 45.6 1.0
C B:ARG44 4.5 18.6 1.0
CD2 B:HIS45 4.6 56.1 1.0
CG2 B:VAL99 4.6 17.2 1.0
CG B:HIS45 4.7 49.7 1.0
O B:HOH433 4.7 33.3 1.0
O B:HOH437 4.8 29.8 1.0
CA B:ARG44 4.8 20.0 1.0
C B:GLY96 4.8 12.4 1.0

Reference:

V.M.Reyes, M.R.Sawaya, K.A.Brown, J.Kraut. Isomorphous Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with Folate, 5-Deazafolate, and 5,10-Dideazatetrahydrofolate: Mechanistic Implications. Biochemistry V. 34 2710 1995.
ISSN: ISSN 0006-2960
PubMed: 7873554
DOI: 10.1021/BI00008A039
Page generated: Thu Jul 10 16:43:24 2025

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