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Chlorine in PDB 6s6y: X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran

Enzymatic activity of X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran

All present enzymatic activity of X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran:
2.3.1.101;

Protein crystallography data

The structure of X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran, PDB code: 6s6y was solved by T.Wagner, J.L.Hemmann, S.Shima, J.Vorholt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.95 / 3.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 84.974, 130.322, 172.689, 84.97, 75.91, 82.09
R / Rfree (%) 22.1 / 25.1

Other elements in 6s6y:

The structure of X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran also contains other interesting chemical elements:

Potassium (K) 9 atoms
Zinc (Zn) 8 atoms
Calcium (Ca) 6 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran (pdb code 6s6y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran, PDB code: 6s6y:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6s6y

Go back to Chlorine Binding Sites List in 6s6y
Chlorine binding site 1 out of 5 in the X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl611

b:65.1
occ:1.00
 NH2 A:ARG371 2.5 0.6 1.0
OE2 A:GLU289 3.2 0.6 1.0
CZ A:ARG371 3.4 0.9 1.0
NH1 A:ARG371 3.5 0.6 1.0
CG A:GLU289 3.7 0.8 1.0
CD A:GLU289 3.8 0.1 1.0
N A:SER367 3.8 0.0 1.0
OD1 A:ASN285 3.8 0.1 1.0
CA A:SER366 4.1 92.6 1.0
CB A:SER366 4.2 92.7 1.0
CB A:MET288 4.3 92.5 1.0
CG A:ASN285 4.3 0.2 1.0
O A:ASN285 4.4 0.4 1.0
ND2 A:ASN285 4.4 98.9 1.0
N A:GLU289 4.4 0.2 1.0
N A:ASN368 4.4 0.6 1.0
C A:SER366 4.5 99.1 1.0
C A:MET288 4.6 99.6 1.0
NE A:ARG371 4.6 0.4 1.0
CB A:GLU289 4.6 0.1 1.0
CA A:GLU289 4.7 0.7 1.0
OG1 A:THR372 4.7 72.6 1.0
CB A:SER367 4.7 0.8 1.0
CA A:SER367 4.7 0.3 1.0
OE1 A:GLU289 4.8 0.2 1.0
O A:MET288 4.8 0.3 1.0
O A:ASN368 4.9 97.8 1.0
OG A:SER367 5.0 0.1 1.0

Chlorine binding site 2 out of 5 in 6s6y

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Chlorine binding site 2 out of 5 in the X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl612

b:65.1
occ:1.00
 NZ A:LYS208 3.6 73.2 1.0
CE A:LYS208 4.0 69.5 1.0
O A:LEU150 4.5 74.0 1.0
O A:ARG151 4.6 82.1 1.0
O A:GLY203 4.7 81.7 1.0

Chlorine binding site 3 out of 5 in 6s6y

Go back to Chlorine Binding Sites List in 6s6y
Chlorine binding site 3 out of 5 in the X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:65.1
occ:1.00
 NH1 B:ARG251 2.5 94.4 1.0
CB C:ASP70 3.3 75.0 1.0
CD C:ARG71 3.4 89.2 1.0
OD2 C:ASP70 3.5 84.6 1.0
CZ B:ARG251 3.6 88.3 1.0
CG C:ASP70 3.9 79.4 1.0
NE2 C:GLN89 4.0 61.5 1.0
NE B:ARG251 4.0 86.3 1.0
CB C:ASP15 4.1 74.1 1.0
NE C:ARG71 4.3 93.9 1.0
CG C:ARG71 4.3 84.0 1.0
OD1 C:ASP15 4.3 82.8 1.0
CG C:ASP15 4.4 82.0 1.0
CA C:ASP15 4.5 64.8 1.0
CA C:ASP70 4.6 68.9 1.0
NH2 B:ARG251 4.7 85.0 1.0
C C:ASP70 4.7 64.8 1.0
CB C:ARG71 4.7 79.5 1.0
O C:VAL14 4.9 54.1 1.0
N C:ARG71 4.9 75.7 1.0
CD C:GLN89 5.0 61.1 1.0

Chlorine binding site 4 out of 5 in 6s6y

Go back to Chlorine Binding Sites List in 6s6y
Chlorine binding site 4 out of 5 in the X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl607

b:65.1
occ:1.00
 N I:VAL351 3.2 74.5 1.0
CB I:VAL351 3.4 74.0 1.0
N I:SER352 3.5 57.9 1.0
OG I:SER352 3.6 67.9 1.0
CA I:GLY349 3.6 61.9 1.0
CA I:VAL351 3.7 72.4 1.0
N I:PRO350 3.7 70.1 1.0
CD I:PRO350 3.7 71.6 1.0
C I:GLY349 3.7 56.6 1.0
CG2 I:VAL351 3.9 78.3 1.0
NH2 I:ARG346 3.9 0.2 1.0
C I:VAL351 4.1 68.7 1.0
C I:PRO350 4.2 75.8 1.0
CZ I:ARG346 4.3 0.2 1.0
O I:GLY349 4.4 52.2 1.0
CB I:SER352 4.5 58.5 1.0
CB I:ARG346 4.5 85.1 1.0
CA I:PRO350 4.5 71.2 1.0
NE I:ARG346 4.5 0.9 1.0
CG1 I:VAL351 4.5 69.1 1.0
CA I:SER352 4.6 53.5 1.0
NH1 I:ARG346 4.9 0.5 1.0
N I:GLY349 4.9 62.7 1.0
CG I:PRO350 4.9 72.0 1.0
CB I:PRO350 5.0 72.1 1.0

Chlorine binding site 5 out of 5 in 6s6y

Go back to Chlorine Binding Sites List in 6s6y
Chlorine binding site 5 out of 5 in the X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Crystal Structure of the Formyltransferase/Hydrolase Complex (Fhcabcd) From Methylorubrum Extorquens in Complex with Methylofuran within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl404

b:60.1
occ:1.00
 NH1 J:ARG251 2.6 0.5 1.0
CD K:ARG71 3.7 77.6 1.0
CZ J:ARG251 3.7 0.4 1.0
OD2 K:ASP70 3.7 89.9 1.0
NE2 K:GLN89 3.8 71.0 1.0
NH2 J:ARG251 3.9 0.8 1.0
CB K:ASP70 4.1 87.2 1.0
OD2 J:ASP248 4.1 0.3 1.0
NE K:ARG71 4.1 78.9 1.0
CG K:ASP70 4.4 88.7 1.0
CB K:ASP15 4.6 73.4 1.0
CG K:ASP15 4.7 76.4 1.0
CG K:ARG71 4.7 68.7 1.0
OD1 K:ASP15 4.8 76.0 1.0
NE J:ARG251 4.9 97.8 1.0
CZ K:ARG71 4.9 76.7 1.0
CD K:GLN89 4.9 72.1 1.0

Reference:

J.L.Hemmann, T.Wagner, S.Shima, J.Vorholt. Methylofuran Is A Prosthetic Group of the Formyltransferase/Hydrolase Complex and Shuttles One-Carbon Units Between Two Active Sites To Be Published.
Page generated: Mon Jul 29 14:50:33 2024

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