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Chlorine in PDB 3apy: Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8

Enzymatic activity of Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8

All present enzymatic activity of Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8:
1.5.1.20;

Protein crystallography data

The structure of Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8, PDB code: 3apy was solved by K.Yamada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.96 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 116.588, 90.930, 125.152, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 30.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8 (pdb code 3apy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8, PDB code: 3apy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3apy

Go back to Chlorine Binding Sites List in 3apy
Chlorine binding site 1 out of 6 in the Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:31.5
occ:1.00
 NH1 A:ARG33 2.9 22.3 1.0
O C:HOH727 3.6 36.3 1.0
CZ A:ARG33 3.8 20.6 1.0
NH2 A:ARG33 3.8 18.0 1.0
O A:HOH664 3.9 23.4 1.0
NH1 C:ARG281 4.6 16.4 1.0
NH2 C:ARG281 4.7 18.5 1.0
CB A:ALA30 4.8 15.0 1.0

Chlorine binding site 2 out of 6 in 3apy

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Chlorine binding site 2 out of 6 in the Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl312

b:40.6
occ:1.00
 CE1 D:HIS239 3.5 26.1 1.0
NE D:ARG238 3.5 26.4 1.0
NH2 D:ARG238 3.7 24.1 1.0
CZ D:ARG238 4.1 24.9 1.0
NE2 D:HIS239 4.3 25.6 1.0
ND1 D:HIS239 4.4 25.8 1.0
CD D:ARG238 4.5 25.9 1.0
CG D:LYS235 4.7 21.5 1.0
NZ D:LYS235 4.8 28.1 1.0

Chlorine binding site 3 out of 6 in 3apy

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Chlorine binding site 3 out of 6 in the Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl312

b:38.0
occ:1.00
 NH2 E:ARG125 3.8 10.8 1.0
NH1 E:ARG125 4.1 11.4 1.0
CD E:PRO119 4.3 18.7 1.0
CG E:ARG118 4.4 26.6 1.0
CZ E:ARG125 4.4 11.0 1.0
CG E:PRO119 4.7 18.8 1.0

Chlorine binding site 4 out of 6 in 3apy

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Chlorine binding site 4 out of 6 in the Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl312

b:41.4
occ:1.00
 CE1 F:HIS239 3.4 31.3 1.0
NE F:ARG238 3.5 25.9 1.0
NH2 F:ARG238 3.6 23.4 1.0
CZ F:ARG238 4.0 24.7 1.0
NE2 F:HIS239 4.1 30.4 1.0
ND1 F:HIS239 4.5 30.1 1.0
CD F:ARG238 4.5 26.9 1.0
CG F:LYS235 4.6 24.9 1.0

Chlorine binding site 5 out of 6 in 3apy

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Chlorine binding site 5 out of 6 in the Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl312

b:38.7
occ:1.00
 NH1 G:ARG33 2.5 19.1 1.0
CZ G:ARG33 3.7 15.0 1.0
O G:HOH335 4.1 17.9 1.0
NH2 G:ARG33 4.2 12.7 1.0
CB G:ALA30 4.6 13.9 1.0
NH1 E:ARG281 4.6 17.9 1.0
NH2 E:ARG281 4.7 18.1 1.0
NE G:ARG33 4.8 13.2 1.0

Chlorine binding site 6 out of 6 in 3apy

Go back to Chlorine Binding Sites List in 3apy
Chlorine binding site 6 out of 6 in the Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl312

b:31.7
occ:1.00
 NH2 H:ARG238 2.8 20.6 1.0
NE H:ARG238 3.4 21.9 1.0
CE1 H:HIS239 3.5 22.9 1.0
CZ H:ARG238 3.6 21.9 1.0
ND1 H:HIS239 4.4 22.8 1.0
NE2 H:HIS239 4.4 21.3 1.0
CG H:LYS235 4.6 13.5 1.0
CD H:ARG238 4.7 20.7 1.0
NH1 H:ARG238 4.9 18.2 1.0

Reference:

S.Igari, A.Ohtaki, Y.Yamanaka, Y.Sato, M.Yohda, M.Odaka, K.Noguchi, K.Yamada. Properties and Crystal Structure of Methylenetetrahydrofolate Reductase From Thermus Thermophilus HB8. Plos One V. 6 23716 2011.
ISSN: ESSN 1932-6203
PubMed: 21858212
DOI: 10.1371/JOURNAL.PONE.0023716
Page generated: Sat Jul 20 16:01:14 2024

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