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Chlorine in PDB 4bmo: Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution)

Enzymatic activity of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution)

All present enzymatic activity of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution):
1.17.4.1;

Protein crystallography data

The structure of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution), PDB code: 4bmo was solved by M.Hammerstad, H.-P.Hersleth, A.K.Rohr, K.K.Andersson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.75 / 1.81
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 59.490, 124.670, 141.260, 90.00, 90.00, 90.00
R / Rfree (%) 16.677 / 20.942

Other elements in 4bmo:

The structure of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution) also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution) (pdb code 4bmo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution), PDB code: 4bmo:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4bmo

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Chlorine binding site 1 out of 5 in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution)


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 Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1293

b:35.2
occ:1.00
 OG A:SER196 2.9 35.7 1.0
NE1 B:TRP74 3.1 27.4 1.0
O B:HOH2025 3.2 17.1 1.0
CB A:SER196 3.6 27.0 1.0
C9 B:FMN1120 3.6 23.4 1.0
C1' B:FMN1120 3.6 21.3 1.0
N10 B:FMN1120 3.7 23.1 1.0
C9A B:FMN1120 3.7 22.7 1.0
CD1 B:TRP74 3.8 25.1 1.0
C A:SER196 3.9 21.9 1.0
O A:SER196 4.1 18.7 1.0
CG2 A:ILE197 4.1 26.1 1.0
ND2 B:ASN71 4.1 22.4 1.0
N A:ILE197 4.2 19.1 1.0
CG2 A:VAL200 4.2 21.1 1.0
CE2 B:TRP74 4.3 27.1 1.0
CB B:ASN71 4.3 22.7 1.0
C8 B:FMN1120 4.3 25.8 1.0
CA A:SER196 4.3 22.3 1.0
CA A:ILE197 4.5 20.0 1.0
C5A B:FMN1120 4.5 24.2 1.0
C10 B:FMN1120 4.6 20.4 1.0
CG B:ASN71 4.6 22.1 1.0
CZ2 B:TRP74 4.8 35.1 1.0
C8M B:FMN1120 4.9 27.1 1.0
C2' B:FMN1120 4.9 23.8 1.0
O3' B:FMN1120 4.9 22.4 1.0
CB A:ILE197 5.0 21.8 1.0

Chlorine binding site 2 out of 5 in 4bmo

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Chlorine binding site 2 out of 5 in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution)


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 Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1294

b:32.1
occ:1.00
 NZ A:LYS64 3.0 33.8 1.0
CE A:LYS64 3.6 32.1 1.0
O A:THR63 3.6 21.9 1.0
CD A:LYS64 3.7 30.8 1.0
CG2 A:THR63 3.8 22.4 1.0
O A:HOH2055 3.8 23.2 1.0
CA A:GLY67 3.9 23.5 1.0
C A:THR63 4.1 24.2 1.0
CA A:LYS64 4.1 20.8 1.0
CG A:GLU68 4.1 33.0 1.0
C A:GLY67 4.2 25.1 1.0
N A:LYS64 4.4 22.1 1.0
O A:GLY67 4.5 25.7 1.0
N A:GLY67 4.6 24.0 1.0
N A:GLU68 4.7 25.0 1.0
OE2 A:GLU68 4.7 46.9 1.0
CG A:LYS64 4.9 25.6 1.0
CD A:GLU68 4.9 39.9 1.0
CB A:THR63 4.9 20.5 1.0
CB A:LYS64 4.9 23.8 1.0
C A:LYS64 5.0 19.8 1.0
O A:LYS64 5.0 21.6 1.0

Chlorine binding site 3 out of 5 in 4bmo

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Chlorine binding site 3 out of 5 in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution)


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 Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1295

b:44.2
occ:1.00
 CG A:GLU271 3.2 30.7 0.5
O A:HOH2115 3.3 26.8 1.0
N A:GLU271 3.4 27.7 0.5
N A:GLU271 3.5 28.0 0.5
CB A:LEU270 3.8 25.1 1.0
CA A:LEU270 4.0 25.6 1.0
CD2 A:LEU270 4.0 30.5 1.0
CB A:GLU271 4.1 27.8 0.5
CD A:GLU271 4.1 35.0 0.5
NZ A:LYS273 4.2 35.0 1.0
C A:LEU270 4.2 26.3 1.0
NE2 A:GLN222 4.2 34.9 1.0
CB A:GLU271 4.3 30.0 0.5
CA A:GLU271 4.3 25.6 0.5
OE2 A:GLU271 4.4 34.9 0.5
CG A:LEU270 4.4 25.4 1.0
CA A:GLU271 4.4 26.4 0.5
CG A:GLU271 4.4 28.6 0.5
O A:HOH2059 4.4 38.6 1.0
O A:GLU271 4.7 24.5 0.5
OE1 A:GLN222 4.8 32.6 1.0
O A:GLU271 4.8 23.5 0.5
NE2 A:GLN226 4.8 29.6 1.0
OE1 A:GLU271 4.9 33.3 0.5
CD A:GLN222 4.9 29.2 1.0
CD1 A:LEU270 4.9 24.0 1.0
O A:HOH2139 5.0 35.2 1.0

Chlorine binding site 4 out of 5 in 4bmo

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Chlorine binding site 4 out of 5 in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1296

b:41.9
occ:1.00
 O A:HOH2123 2.8 37.8 1.0
O A:HOH2120 3.1 39.9 1.0
CA A:GLY248 3.4 30.8 1.0
CG2 A:VAL250 3.5 38.1 1.0
C A:GLY248 3.5 31.2 1.0
N A:VAL250 3.5 29.3 1.0
CB A:VAL250 3.6 33.3 1.0
N A:LEU249 3.6 28.9 1.0
O A:GLY248 4.1 27.0 1.0
CA A:THR245 4.1 35.8 1.0
CA A:VAL250 4.1 29.0 1.0
N A:GLY248 4.2 29.2 1.0
O A:THR245 4.2 36.5 1.0
O A:TYR244 4.3 31.6 1.0
OG1 A:THR245 4.5 44.6 1.0
C A:LEU249 4.5 26.7 1.0
CA A:LEU249 4.6 27.7 1.0
C A:THR245 4.6 35.1 1.0
CB A:THR245 4.7 42.2 1.0
N A:THR245 4.9 31.5 1.0
CG1 A:VAL250 4.9 33.7 1.0
N A:GLU251 4.9 30.4 0.5
C A:TYR244 4.9 27.6 1.0
N A:GLU251 4.9 30.4 0.5

Chlorine binding site 5 out of 5 in 4bmo

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Chlorine binding site 5 out of 5 in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1297

b:47.7
occ:1.00
 N A:GLU275 3.3 28.7 1.0
CD1 A:PHE274 3.7 23.2 1.0
CB A:GLU275 3.9 40.2 1.0
CA A:PHE274 3.9 24.4 1.0
CD A:ARG258 3.9 22.9 1.0
CB A:PHE274 4.0 24.0 1.0
C A:PHE274 4.1 26.4 1.0
CA A:GLU275 4.3 31.1 1.0
NE A:ARG258 4.3 23.2 1.0
CG A:PHE274 4.4 25.1 1.0
O A:HOH2129 4.7 35.6 1.0
CE1 A:PHE274 4.7 26.2 1.0
O A:LYS273 5.0 31.6 1.0
OE1 A:GLU275 5.0 71.7 1.0

Reference:

M.Hammerstad, H.Hersleth, A.B.Tomter, A.K.Rohr, K.K.Andersson. Crystal Structure of Bacillus Cereus Class Ib Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi. Acs Chem.Biol. V. 9 526 2014.
ISSN: ISSN 1554-8929
PubMed: 24295378
DOI: 10.1021/CB400757H
Page generated: Sun Jul 21 10:19:36 2024

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