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

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

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

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 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 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 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 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

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