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Chlorine in PDB 4kns: Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5

Protein crystallography data

The structure of Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5, PDB code: 4kns was solved by A.C.Rosenzweig, T.L.Lawton, L.A.Sayavedra-Soto, D.J.Arp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.01 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.438, 138.069, 120.688, 90.00, 101.64, 90.00
R / Rfree (%) 18.5 / 22.9

Other elements in 4kns:

The structure of Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5 also contains other interesting chemical elements:

Copper (Cu) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5 (pdb code 4kns). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5, PDB code: 4kns:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4kns

Go back to Chlorine Binding Sites List in 4kns
Chlorine binding site 1 out of 4 in the Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:47.4
occ:1.00
O B:HOH633 3.2 35.5 1.0
N B:ARG62 3.3 22.2 1.0
O B:ARG62 3.5 22.9 1.0
CA B:VAL61 4.0 21.6 1.0
C B:VAL61 4.2 21.7 1.0
O B:VAL60 4.2 21.8 1.0
CA B:ARG62 4.2 22.8 1.0
C B:ARG62 4.2 22.9 1.0
CG1 B:VAL61 4.3 21.3 1.0
CB B:ARG62 4.6 23.2 1.0
CB B:VAL61 4.7 21.4 1.0
N B:VAL61 5.0 21.3 1.0

Chlorine binding site 2 out of 4 in 4kns

Go back to Chlorine Binding Sites List in 4kns
Chlorine binding site 2 out of 4 in the Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:27.7
occ:1.00
O B:HOH623 3.2 31.9 1.0
N B:VAL60 3.3 20.1 1.0
NH2 B:ARG309 3.4 22.0 1.0
O B:HOH562 3.6 26.2 1.0
NE B:ARG309 3.7 22.5 1.0
CG2 B:VAL60 3.7 20.4 1.0
CA B:PRO59 3.8 19.6 1.0
O B:HOH642 3.9 39.1 1.0
C B:PRO59 4.0 19.8 1.0
CB B:VAL60 4.0 20.6 1.0
CZ B:ARG309 4.0 22.1 1.0
CA B:VAL60 4.2 20.7 1.0
CB B:PRO59 4.5 19.6 1.0
CB B:LEU307 4.7 24.4 1.0
O B:GLY58 4.8 18.9 1.0
OE1 B:GLU304 4.9 41.6 1.0
CD B:ARG309 4.9 22.9 1.0
N B:PRO59 4.9 19.5 1.0
CD1 B:LEU307 4.9 24.2 1.0

Chlorine binding site 3 out of 4 in 4kns

Go back to Chlorine Binding Sites List in 4kns
Chlorine binding site 3 out of 4 in the Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:28.4
occ:1.00
O C:HOH534 3.2 29.5 1.0
O C:HOH547 3.2 32.1 1.0
N C:VAL60 3.3 20.4 1.0
NH2 C:ARG309 3.3 25.7 1.0
O C:HOH633 3.3 46.4 1.0
NE C:ARG309 3.8 26.1 1.0
CG2 C:VAL60 3.8 20.3 1.0
CA C:PRO59 3.8 20.3 1.0
CZ C:ARG309 4.0 25.9 1.0
CB C:VAL60 4.0 20.5 1.0
C C:PRO59 4.0 20.5 1.0
CA C:VAL60 4.2 20.4 1.0
O C:HOH635 4.3 35.9 1.0
CB C:PRO59 4.5 20.3 1.0
O C:GLY58 4.7 19.9 1.0
CB C:LEU307 4.7 26.6 1.0
N C:PRO59 4.9 20.3 1.0
CD1 C:LEU307 5.0 25.6 1.0

Chlorine binding site 4 out of 4 in 4kns

Go back to Chlorine Binding Sites List in 4kns
Chlorine binding site 4 out of 4 in the Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Reduced Crystal Structure of the Nitrosomonas Europaea Copper Nitrite Reductase at pH 6.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl403

b:26.5
occ:1.00
O E:HOH508 3.2 29.5 1.0
O E:HOH635 3.2 30.7 1.0
N E:VAL60 3.2 21.4 1.0
NH2 E:ARG309 3.4 24.9 1.0
NE E:ARG309 3.5 25.4 1.0
CG2 E:VAL60 3.7 21.4 1.0
CA E:PRO59 3.7 21.4 1.0
O E:HOH615 3.8 29.7 1.0
CZ E:ARG309 3.9 25.1 1.0
C E:PRO59 4.0 21.3 1.0
CB E:VAL60 4.0 21.4 1.0
CA E:VAL60 4.2 21.4 1.0
CB E:PRO59 4.5 21.3 1.0
O E:GLY58 4.6 21.5 1.0
CB E:LEU307 4.6 24.2 1.0
CD E:ARG309 4.7 25.5 1.0
CD1 E:LEU307 4.8 23.9 1.0
N E:PRO59 4.8 21.3 1.0

Reference:

T.J.Lawton, K.E.Bowen, L.A.Sayavedra-Soto, D.J.Arp, A.C.Rosenzweig. Characterization of A Nitrite Reductase Involved in Nitrifier Denitrification. J.Biol.Chem. V. 288 25575 2013.
ISSN: ISSN 0021-9258
PubMed: 23857587
DOI: 10.1074/JBC.M113.484543
Page generated: Fri Jul 11 17:52:09 2025

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