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Chlorine in PDB 2iwk: Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution

Enzymatic activity of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution

All present enzymatic activity of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution:
1.7.99.6;

Protein crystallography data

The structure of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution, PDB code: 2iwk was solved by K.Paraskevopoulos, S.V.Antonyuk, R.G.Sawers, R.R.Eady, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.7
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.114, 120.913, 137.343, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 20.7

Other elements in 2iwk:

The structure of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution also contains other interesting chemical elements:

Iodine (I) 15 atoms
Copper (Cu) 12 atoms
Calcium (Ca) 28 atoms
Sodium (Na) 30 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution (pdb code 2iwk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution, PDB code: 2iwk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2iwk

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Chlorine binding site 1 out of 8 in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1622

b:25.7
occ:1.00
 ND1 A:HIS340 3.2 21.6 1.0
ND2 A:ASN288 3.2 20.4 1.0
NH1 A:ARG145 3.4 27.3 1.0
N A:CYS287 3.5 20.5 1.0
NH2 A:ARG145 3.5 29.4 1.0
CE1 A:HIS340 3.5 23.6 1.0
CG A:ASN204 3.6 28.5 1.0
CA A:GLY286 3.6 20.8 1.0
CB A:ASN204 3.7 23.3 1.0
CZ A:ARG145 3.9 29.5 1.0
OD1 A:ASN204 3.9 29.6 1.0
ND2 A:ASN204 4.0 26.0 1.0
O A:CYS287 4.0 20.9 1.0
CG A:ASN288 4.0 21.4 1.0
C A:GLY286 4.1 20.2 1.0
OD1 A:ASN288 4.1 22.9 1.0
CE1 A:HIS391 4.2 26.6 1.0
C A:CYS287 4.4 20.9 1.0
CA A:CYS287 4.5 21.2 1.0
CG A:HIS340 4.5 22.5 1.0
O A:HOH2156 4.6 22.4 1.0
ND1 A:HIS391 4.6 24.1 1.0
N A:GLY286 4.8 21.5 1.0
NE2 A:HIS340 4.9 22.6 1.0
CB A:CYS287 4.9 21.1 1.0
O A:HIS285 5.0 21.9 1.0

Chlorine binding site 2 out of 8 in 2iwk

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Chlorine binding site 2 out of 8 in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1623

b:30.7
occ:1.00
 NZ A:LYS84 2.6 29.4 1.0
N A:ASP88 2.9 21.6 1.0
ND1 A:HIS87 2.9 20.9 1.0
ND2 A:ASN89 2.9 17.6 1.0
OD1 A:ASP88 3.0 28.3 1.0
CA B:GLY551 3.3 21.6 1.0
CA A:HIS87 3.3 19.7 1.0
O B:GLY551 3.5 22.2 1.0
CB A:HIS87 3.5 20.5 1.0
C A:HIS87 3.6 19.9 1.0
CG A:HIS87 3.6 17.9 1.0
N A:ASN89 3.8 21.6 1.0
C B:GLY551 3.8 21.4 1.0
CE A:LYS84 3.8 33.4 1.0
CG A:ASP88 3.9 26.5 1.0
CA A:ASP88 3.9 22.4 1.0
CD A:LYS84 4.0 31.3 1.0
CE1 A:HIS87 4.0 24.3 1.0
C A:ASP88 4.1 22.4 1.0
CG A:ASN89 4.1 20.7 1.0
CB A:ASP88 4.4 24.1 1.0
N B:GLY551 4.5 20.6 1.0
ND2 A:ASN116 4.6 19.0 1.0
CB A:ASN89 4.6 20.7 1.0
N A:HIS87 4.7 19.2 1.0
CA A:ASN89 4.7 20.6 1.0
O A:ILE86 4.8 19.5 1.0
OD2 A:ASP88 4.8 31.6 1.0
O A:HIS87 4.8 21.5 1.0
O A:ASN89 4.9 19.9 1.0
CD2 A:HIS87 4.9 23.6 1.0
CA A:CA1620 4.9 22.2 1.0
O B:HOH2397 4.9 32.8 1.0
N B:VAL552 5.0 21.9 1.0

Chlorine binding site 3 out of 8 in 2iwk

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Chlorine binding site 3 out of 8 in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1624

b:33.1
occ:1.00
 O A:GLN59 2.7 19.3 1.0
ND2 A:ASN61 2.8 20.3 1.0
N A:THR565 2.8 21.0 1.0
O A:THR565 3.6 20.9 1.0
CG A:ASN61 3.6 22.1 1.0
CB A:THR565 3.6 22.1 1.0
CA A:THR565 3.6 21.4 1.0
CA A:VAL564 3.7 20.9 1.0
C A:VAL564 3.7 21.1 1.0
CG2 A:VAL564 3.7 23.9 1.0
N A:ASN61 3.9 17.8 1.0
OD1 A:ASN61 3.9 28.1 1.0
C A:GLN59 4.0 19.4 1.0
OG1 A:THR565 4.0 22.0 1.0
C A:THR565 4.0 22.0 1.0
CD1 A:ILE64 4.0 21.2 1.0
C A:THR60 4.1 18.7 1.0
CB A:VAL564 4.3 21.0 1.0
CA A:ASN61 4.4 18.3 1.0
CA A:THR60 4.5 19.0 1.0
CB A:ASN61 4.6 18.4 1.0
O A:THR60 4.6 18.2 1.0
O A:HOH2415 4.7 34.0 1.0
N A:THR60 4.7 18.4 1.0
O A:SER563 4.8 18.5 1.0
N A:VAL564 4.9 20.2 1.0
CG2 A:THR565 4.9 22.4 1.0
O A:VAL564 4.9 20.5 1.0
O A:HOH2416 4.9 48.3 1.0
CA A:GLN59 4.9 20.4 1.0

Chlorine binding site 4 out of 8 in 2iwk

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Chlorine binding site 4 out of 8 in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1616

b:22.2
occ:1.00
 NH1 B:ARG145 3.1 23.7 1.0
ND1 B:HIS340 3.1 22.3 1.0
ND2 B:ASN288 3.2 21.8 1.0
CE1 B:HIS340 3.4 22.8 1.0
N B:CYS287 3.4 19.2 1.0
NH2 B:ARG145 3.5 27.2 1.0
CA B:GLY286 3.6 17.2 1.0
CG B:ASN204 3.7 26.4 1.0
O B:HOH2094 3.7 30.3 1.0
CB B:ASN204 3.7 22.8 1.0
CZ B:ARG145 3.8 28.1 1.0
OD1 B:ASN204 4.0 29.1 1.0
CG B:ASN288 4.0 18.5 1.0
C B:GLY286 4.1 18.9 1.0
O B:CYS287 4.1 21.3 1.0
OD1 B:ASN288 4.1 20.9 1.0
ND2 B:ASN204 4.1 25.6 1.0
CE1 B:HIS391 4.1 28.4 1.0
C B:CYS287 4.4 20.2 1.0
CG B:HIS340 4.4 19.3 1.0
CA B:CYS287 4.5 20.5 1.0
O B:HOH2132 4.6 20.5 1.0
ND1 B:HIS391 4.7 25.8 1.0
NE2 B:HIS340 4.7 22.7 1.0
N B:GLY286 4.7 17.7 1.0
CB B:CYS287 4.9 20.5 1.0

Chlorine binding site 5 out of 8 in 2iwk

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Chlorine binding site 5 out of 8 in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1617

b:47.9
occ:1.00
 NZ B:LYS139 2.7 40.6 1.0
NZ B:LYS74 2.8 38.8 1.0
CE B:LYS139 3.0 38.1 1.0
ND2 B:ASN167 3.3 24.5 1.0
CE B:LYS74 3.5 38.0 1.0
CB B:ASN167 3.7 24.2 1.0
O B:HOH2109 3.8 40.6 1.0
O B:HOH2107 3.9 43.0 1.0
CG B:ASN167 4.0 23.1 1.0
CE2 A:TYR574 4.2 24.8 1.0
CD B:LYS74 4.3 36.0 1.0
OH A:TYR574 4.4 28.3 1.0
O B:ASN167 4.5 24.4 1.0
CD B:LYS139 4.6 35.6 1.0
O A:HOH2419 4.6 30.8 1.0
O B:HOH2093 4.6 29.6 1.0
CZ A:TYR574 4.7 25.7 1.0
CA B:ASN167 4.9 24.1 1.0

Chlorine binding site 6 out of 8 in 2iwk

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Chlorine binding site 6 out of 8 in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1618

b:32.6
occ:1.00
 ND2 B:ASN89 2.8 16.6 1.0
NZ B:LYS84 2.8 29.2 1.0
ND1 B:HIS87 2.9 22.9 1.0
N B:ASP88 2.9 20.3 1.0
OD1 B:ASP88 3.0 26.3 1.0
CA A:GLY551 3.1 20.9 1.0
CA B:HIS87 3.4 19.4 1.0
O A:GLY551 3.5 21.6 1.0
CB B:HIS87 3.6 18.3 1.0
CG B:HIS87 3.6 18.8 1.0
C B:HIS87 3.7 19.7 1.0
C A:GLY551 3.7 21.3 1.0
N B:ASN89 3.7 20.0 1.0
CG B:ASP88 3.9 24.5 1.0
CG B:ASN89 3.9 19.1 1.0
CA B:ASP88 3.9 20.8 1.0
CE1 B:HIS87 4.0 23.9 1.0
CE B:LYS84 4.0 32.3 1.0
C B:ASP88 4.1 20.7 1.0
CD B:LYS84 4.2 29.6 1.0
ND2 B:ASN116 4.4 18.8 1.0
N A:GLY551 4.4 21.0 1.0
CB B:ASN89 4.4 19.8 1.0
CB B:ASP88 4.5 20.9 1.0
CA B:ASN89 4.6 19.8 1.0
N B:HIS87 4.7 19.7 1.0
O B:ASN89 4.8 17.9 1.0
OD2 B:ASP88 4.8 28.2 1.0
N A:VAL552 4.8 19.9 1.0
O B:HIS87 4.9 20.9 1.0
O B:ILE86 4.9 18.4 1.0
O B:HOH2060 4.9 26.6 1.0
CD2 B:HIS87 4.9 19.6 1.0
CA B:CA1615 4.9 21.2 1.0
O A:HOH2408 5.0 34.6 1.0
CD2 B:LEU79 5.0 21.8 1.0
OD1 B:ASN89 5.0 21.9 1.0

Chlorine binding site 7 out of 8 in 2iwk

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Chlorine binding site 7 out of 8 in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1619

b:32.0
occ:1.00
 N B:TYR277 3.1 18.2 1.0
CD B:ARG276 3.6 20.1 1.0
CA B:ARG276 3.7 18.6 1.0
C B:ARG276 3.9 19.1 1.0
O B:TYR277 3.9 19.1 1.0
CD1 B:TYR277 3.9 17.0 1.0
CA B:TYR277 4.0 17.8 1.0
CB B:TYR277 4.0 17.6 1.0
CB B:ARG276 4.2 18.1 1.0
O B:HOH2191 4.4 31.0 1.0
C B:TYR277 4.4 18.9 1.0
O B:HOH2188 4.4 27.9 1.0
CG B:TYR277 4.5 17.6 1.0
CG B:ARG276 4.5 19.9 1.0
NE B:ARG276 4.6 19.2 1.0
O B:HOH2180 4.6 32.8 1.0
O B:THR275 4.8 16.4 1.0
N B:ARG276 4.9 17.5 1.0
CE1 B:TYR277 5.0 16.9 1.0

Chlorine binding site 8 out of 8 in 2iwk

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Chlorine binding site 8 out of 8 in the Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Inhibitor-Bound Form of Nitrous Oxide Reductase From Achromobacter Cycloclastes at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1641

b:39.4
occ:1.00
 O A:HOH2417 2.5 37.5 1.0
O B:HOH2046 2.8 39.2 1.0
O A:HOH2386 3.3 34.4 1.0
CB B:ALA81 4.0 23.2 1.0
CA A:ALA569 4.0 21.6 1.0
CB A:ALA569 4.1 21.6 1.0
CG1 A:VAL567 4.1 23.4 1.0
CA A:GLY525 4.1 21.5 1.0
O A:ALA569 4.5 22.3 1.0
NZ B:LYS77 4.6 36.5 1.0
C A:ALA569 4.8 22.3 1.0
N A:GLY525 4.8 20.7 1.0
O B:HOH2047 4.9 24.0 1.0
O B:HOH2050 4.9 26.1 1.0
O A:GLY525 5.0 22.4 1.0

Reference:

K.Paraskevopoulos, S.V.Antonyuk, R.G.Sawers, R.R.Eady, S.S.Hasnain. Insight Into Catalysis of Nitrous Oxide Reductase From High-Resolution Structures of Resting and Inhibitor-Bound Enzyme From Achromobacter Cycloclastes. J.Mol.Biol. V. 362 55 2006.
ISSN: ISSN 0022-2836
PubMed: 16904686
DOI: 10.1016/J.JMB.2006.06.064
Page generated: Sat Jul 20 08:30:21 2024

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