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Chlorine in PDB 3mvw: X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1

Enzymatic activity of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1

All present enzymatic activity of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1:
3.6.3.24;

Protein crystallography data

The structure of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1, PDB code: 3mvw was solved by C.Cavazza, C.Bochot, P.Rousselot-Pailley, P.Carpentier, M.V.Cherrier, L.Martin, C.Marchi-Delapierre, J.C.Fontecilla-Camps, S.Menage, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.29 / 1.79
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.972, 94.583, 124.947, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 20.4

Other elements in 3mvw:

The structure of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1 also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1 (pdb code 3mvw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1, PDB code: 3mvw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3mvw

Go back to Chlorine Binding Sites List in 3mvw
Chlorine binding site 1 out of 4 in the X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl516

b:51.0
occ:1.00
CG2 A:THR23 2.7 19.7 0.5
OG1 A:THR23 2.8 23.1 0.5
CG2 A:THR23 3.1 19.7 0.5
OE1 A:GLN26 3.4 15.7 1.0
CB A:THR23 3.5 19.3 0.5
CB A:THR23 3.5 19.3 0.5
O A:HOH625 3.6 17.6 1.0
O A:HOH654 3.7 38.0 1.0
CD A:GLN26 4.3 18.2 1.0
NE2 A:GLN26 4.4 12.2 1.0
CA A:THR23 4.5 16.3 0.5
CA A:THR23 4.5 16.3 0.5
OG1 A:THR23 4.6 23.1 0.5
O A:HOH949 5.0 31.2 1.0

Chlorine binding site 2 out of 4 in 3mvw

Go back to Chlorine Binding Sites List in 3mvw
Chlorine binding site 2 out of 4 in the X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl517

b:46.3
occ:1.00
N A:HIS442 3.2 22.9 1.0
O A:HOH1022 3.5 47.3 1.0
N A:ASP443 3.6 19.8 1.0
CA A:HIS442 4.0 22.8 1.0
C A:HIS442 4.2 21.9 1.0
C A:THR441 4.2 22.4 1.0
CB A:ASP443 4.2 19.1 1.0
O A:HOH688 4.2 29.1 1.0
CA A:THR441 4.3 21.3 1.0
CB A:HIS442 4.3 24.6 1.0
OG1 A:THR441 4.4 27.2 1.0
CA A:ASP443 4.5 19.0 1.0
O A:ALA440 4.6 19.3 1.0
CB A:THR441 4.9 20.0 1.0

Chlorine binding site 3 out of 4 in 3mvw

Go back to Chlorine Binding Sites List in 3mvw
Chlorine binding site 3 out of 4 in the X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl509

b:40.1
occ:1.00
O B:HOH531 2.9 22.1 1.0
N B:PHE28 3.0 12.7 1.0
O B:HOH602 3.3 19.9 1.0
O B:HOH739 3.3 47.0 1.0
N B:MET27 3.4 12.0 1.0
O B:THR490 3.4 15.2 1.0
CD1 B:PHE28 3.7 13.6 1.0
CB B:MET27 3.8 17.0 1.0
CB B:PHE28 3.8 14.3 1.0
CA B:MET27 3.8 15.3 1.0
C B:MET27 3.8 14.3 1.0
CA B:PHE28 3.9 14.6 1.0
CG B:MET27 3.9 23.9 1.0
C B:GLN26 4.1 13.3 1.0
CZ2 B:TRP10 4.2 16.1 1.0
CG B:PHE28 4.2 12.7 1.0
CB B:THR490 4.3 17.9 1.0
C B:THR490 4.5 16.2 1.0
CB B:GLN26 4.6 10.3 1.0
CA B:GLN26 4.6 11.1 1.0
CH2 B:TRP10 4.7 18.1 1.0
CE1 B:PHE28 4.7 13.4 1.0
CA B:THR490 4.7 15.6 1.0
NE2 B:GLN26 4.8 11.4 1.0
CG2 B:THR490 4.9 22.7 1.0
O B:MET27 4.9 13.3 1.0
O B:GLN26 4.9 11.1 1.0
CE2 B:TRP10 5.0 14.2 1.0

Chlorine binding site 4 out of 4 in 3mvw

Go back to Chlorine Binding Sites List in 3mvw
Chlorine binding site 4 out of 4 in the X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl510

b:41.3
occ:1.00
ND2 B:ASN302 2.9 8.9 1.0
O A:HOH648 2.9 31.4 1.0
CD2 A:LEU242 3.6 25.8 1.0
CE2 A:PHE229 3.6 13.2 1.0
OD1 B:ASN302 3.7 12.5 1.0
CG B:ASN302 3.7 10.9 1.0
O B:HOH861 3.9 16.4 1.0
CD2 A:PHE229 4.4 10.7 1.0
CB A:LEU242 4.4 15.3 1.0
CZ A:PHE229 4.5 10.2 1.0
CG A:LEU242 4.6 18.8 1.0
CG2 A:THR286 4.7 18.5 1.0
OG A:SER233 4.8 12.3 1.0
CB B:PRO296 4.8 12.1 1.0
CB A:SER233 4.9 9.9 1.0

Reference:

C.Cavazza, C.Bochot, P.Rousselot-Pailley, P.Carpentier, M.V.Cherrier, L.Martin, C.Marchi-Delapierre, J.C.Fontecilla-Camps, S.Menage. Crystallographic Snapshots of the Reaction of Aromatic C-H with O(2) Catalysed By A Protein-Bound Iron Complex Nat.Chem. V. 2 1069 2010.
ISSN: ISSN 1755-4330
PubMed: 21107372
DOI: 10.1038/NCHEM.841
Page generated: Sat Dec 12 09:55:50 2020

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