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Chlorine in PDB 1npn: Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis

Enzymatic activity of Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis

All present enzymatic activity of Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis:
1.7.99.3;

Protein crystallography data

The structure of Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis, PDB code: 1npn was solved by H.J.Wijma, M.J.Boulanger, A.Molon, M.Fittipaldi, M.Huber, M.E.Murphy, M.P.Verbeet, G.W.Canters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.28 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.600, 102.520, 146.070, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 19.5

Other elements in 1npn:

The structure of Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis also contains other interesting chemical elements:

Copper (Cu) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis (pdb code 1npn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis, PDB code: 1npn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1npn

Go back to Chlorine Binding Sites List in 1npn
Chlorine binding site 1 out of 3 in the Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis


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 A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl498

b:21.1
occ:1.00
CU A:CU501 2.3 17.8 1.0
CB A:ALA145 3.2 9.2 1.0
ND1 A:HIS95 3.2 12.8 1.0
CE1 A:HIS95 3.2 13.3 1.0
O A:HOH5498 3.6 29.9 1.0
CA A:ALA145 3.7 9.7 1.0
CG A:MET62 3.7 18.5 1.0
CB A:MET62 3.9 15.9 1.0
SD A:MET150 3.9 13.9 1.0
SG A:CYS136 3.9 10.9 1.0
SD A:MET62 4.0 23.8 1.0
NE2 A:HIS95 4.5 13.2 1.0
CD1 A:LEU93 4.6 20.1 1.0
CG A:HIS95 4.6 11.8 1.0
C A:ALA145 4.6 8.6 1.0
O A:ALA145 4.6 9.9 1.0
CG A:PRO138 4.6 13.8 1.0
CB A:CYS136 4.6 8.6 1.0
N A:ALA145 4.7 9.2 1.0
O A:MET94 4.8 12.2 1.0
CB A:MET150 4.8 9.1 1.0
CZ3 A:TRP144 4.9 28.0 1.0
CD A:PRO138 5.0 11.9 1.0
CE3 A:TRP144 5.0 25.2 1.0

Chlorine binding site 2 out of 3 in 1npn

Go back to Chlorine Binding Sites List in 1npn
Chlorine binding site 2 out of 3 in the Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis


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 A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl499

b:25.1
occ:1.00
CU B:CU501 2.4 20.3 1.0
CE B:MET62 3.1 33.0 1.0
CB B:ALA145 3.2 12.8 1.0
ND1 B:HIS95 3.2 11.2 1.0
CE1 B:HIS95 3.3 13.4 1.0
CE B:MET141 3.4 35.1 1.0
CG B:MET62 3.5 24.1 1.0
CA B:ALA145 3.6 13.6 1.0
CB B:MET62 3.7 17.2 1.0
SD B:MET150 3.9 13.5 1.0
SG B:CYS136 4.0 14.6 1.0
SD B:MET62 4.1 28.1 1.0
CG B:PRO138 4.5 19.2 1.0
C B:ALA145 4.5 11.4 1.0
O B:ALA145 4.5 11.2 1.0
NE2 B:HIS95 4.6 12.3 1.0
CG B:HIS95 4.6 13.6 1.0
CB B:CYS136 4.6 12.5 1.0
N B:ALA145 4.6 14.2 1.0
CB B:MET150 4.7 10.9 1.0
CD1 B:LEU93 4.8 19.9 1.0
CG B:MET150 5.0 10.5 1.0

Chlorine binding site 3 out of 3 in 1npn

Go back to Chlorine Binding Sites List in 1npn
Chlorine binding site 3 out of 3 in the Crystal Structure of A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis


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 A Copper Reconstituted H145A Mutant of Nitrite Reductase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl500

b:30.1
occ:1.00
CU C:CU501 2.2 22.0 1.0
ND1 C:HIS95 3.1 16.9 1.0
CE1 C:HIS95 3.2 17.3 1.0
CB C:ALA145 3.2 15.8 1.0
CG C:MET62 3.5 26.7 1.0
CA C:ALA145 3.7 15.4 1.0
CB C:MET62 3.7 21.5 1.0
SD C:MET150 3.7 16.9 1.0
SG C:CYS136 3.8 16.0 1.0
SD C:MET62 4.0 30.4 1.0
CG C:HIS95 4.4 17.7 1.0
NE2 C:HIS95 4.5 15.9 1.0
CB C:CYS136 4.5 14.4 1.0
CG C:PRO138 4.5 21.1 1.0
C C:ALA145 4.6 14.7 1.0
CD1 C:LEU93 4.6 24.7 1.0
O C:ALA145 4.7 13.1 1.0
CB C:MET150 4.7 14.4 1.0
O C:MET94 4.8 20.1 1.0
N C:ALA145 4.8 14.4 1.0
CD C:PRO138 4.9 18.5 1.0
CG C:MET150 4.9 13.4 1.0

Reference:

H.J.Wijma, M.J.Boulanger, A.Molon, M.Fittipaldi, M.Huber, M.E.Murphy, M.P.Verbeet, G.W.Canters. Reconstitution of the Type-1 Active Site of the 145G/A Variants of Nitrite Reductase By Ligand Insertion Biochemistry V. 42 4075 2003.
ISSN: ISSN 0006-2960
PubMed: 12680761
DOI: 10.1021/BI027270+
Page generated: Sat Dec 12 08:43:52 2020

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