Atomistry » Fluorine » PDB 1xz3-1zzr » 1zzr
Atomistry »
  Fluorine »
    PDB 1xz3-1zzr »
      1zzr »

Fluorine in PDB 1zzr: Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound

Enzymatic activity of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound

All present enzymatic activity of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound:
1.14.13.39;

Protein crystallography data

The structure of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound, PDB code: 1zzr was solved by H.Li, M.L.Flinspach, J.Igarashi, J.Jamal, W.Yang, J.A.Gomez-Vidal, E.A.Litzinger, R.B.Silverman, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.32 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.430, 111.950, 164.830, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 26

Other elements in 1zzr:

The structure of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound (pdb code 1zzr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound, PDB code: 1zzr:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1zzr

Go back to Fluorine Binding Sites List in 1zzr
Fluorine binding site 1 out of 6 in the Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F865

b:49.2
occ:1.00
 F1 A:TFA865 0.0 49.2 1.0
C2 A:TFA865 1.3 47.0 1.0
F2 A:TFA865 2.1 49.3 1.0
F3 A:TFA865 2.2 49.0 1.0
C1 A:TFA865 2.2 47.8 1.0
OXT A:TFA865 2.7 49.7 1.0
O A:TFA865 3.1 48.7 1.0
NE2 A:GLN420 3.7 45.0 1.0
CG2 A:ILE419 3.9 30.0 1.0
OG A:SER657 4.2 35.0 1.0
CG A:GLN420 4.3 38.8 1.0
CB A:SER657 4.4 33.5 1.0
CD A:GLN420 4.4 43.0 1.0
CZ2 A:TRP587 4.5 33.9 1.0
O A:HOH952 4.6 32.7 1.0
NE1 A:TRP587 4.9 32.8 1.0

Fluorine binding site 2 out of 6 in 1zzr

Go back to Fluorine Binding Sites List in 1zzr
Fluorine binding site 2 out of 6 in the Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F865

b:49.3
occ:1.00
 F2 A:TFA865 0.0 49.3 1.0
C2 A:TFA865 1.3 47.0 1.0
F1 A:TFA865 2.1 49.2 1.0
F3 A:TFA865 2.2 49.0 1.0
C1 A:TFA865 2.2 47.8 1.0
OXT A:TFA865 2.5 49.7 1.0
O A:HOH952 2.7 32.7 1.0
O A:TFA865 3.3 48.7 1.0
CG2 A:ILE419 3.4 30.0 1.0
CB A:SER657 3.7 33.5 1.0
CA A:GLY417 3.9 26.0 1.0
OG A:SER657 4.2 35.0 1.0
O A:GLY417 4.3 23.1 1.0
C A:GLY417 4.4 24.6 1.0
O A:VAL416 4.4 26.4 1.0
O A:ALA654 4.4 31.0 1.0
CB A:ILE419 4.6 31.7 1.0
CA A:ALA654 4.7 32.3 1.0
CG A:GLN420 4.8 38.8 1.0
N A:ILE419 4.9 28.4 1.0
N A:GLY417 5.0 25.8 1.0
NE2 A:GLN420 5.0 45.0 1.0

Fluorine binding site 3 out of 6 in 1zzr

Go back to Fluorine Binding Sites List in 1zzr
Fluorine binding site 3 out of 6 in the Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F865

b:49.0
occ:1.00
 F3 A:TFA865 0.0 49.0 1.0
C2 A:TFA865 1.3 47.0 1.0
F1 A:TFA865 2.2 49.2 1.0
F2 A:TFA865 2.2 49.3 1.0
C1 A:TFA865 2.2 47.8 1.0
O A:TFA865 2.5 48.7 1.0
OXT A:TFA865 3.4 49.7 1.0
CA A:ALA654 3.5 32.3 1.0
CG2 A:VAL649 3.5 30.2 1.0
OG A:SER657 3.7 35.0 1.0
CB A:SER657 4.0 33.5 1.0
CB A:ALA654 4.0 30.9 1.0
N A:ALA654 4.1 33.1 1.0
O A:SER653 4.1 31.2 1.0
CB A:VAL649 4.3 30.2 1.0
O A:ALA654 4.3 31.0 1.0
CG1 A:VAL649 4.3 27.4 1.0
C A:SER653 4.4 33.7 1.0
C A:ALA654 4.4 31.0 1.0
O A:HOH952 4.6 32.7 1.0

Fluorine binding site 4 out of 6 in 1zzr

Go back to Fluorine Binding Sites List in 1zzr
Fluorine binding site 4 out of 6 in the Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F866

b:48.9
occ:1.00
 F1 B:TFA866 0.0 48.9 1.0
C2 B:TFA866 1.3 45.8 1.0
C1 B:TFA866 2.1 44.2 1.0
F3 B:TFA866 2.2 48.4 1.0
F2 B:TFA866 2.3 48.1 1.0
OXT B:TFA866 2.7 42.3 1.0
O B:TFA866 2.7 45.4 1.0
O B:GLY417 3.4 27.0 1.0
CA B:GLY417 3.4 27.7 1.0
CG B:GLN420 3.5 33.1 1.0
O B:HOH898 3.6 27.6 1.0
C B:GLY417 3.7 26.9 1.0
CG2 B:ILE419 3.8 28.2 1.0
NE2 B:GLN420 4.1 35.5 1.0
CD B:GLN420 4.4 35.9 1.0
CMB B:HEM750 4.5 29.2 1.0
O B:VAL416 4.6 25.5 1.0
CB B:GLN420 4.6 30.2 1.0
CZ2 B:TRP587 4.6 29.4 1.0
N B:GLY417 4.7 26.0 1.0
NE1 B:TRP587 4.7 30.0 1.0
N B:GLN420 4.7 30.0 1.0
CBB B:HEM750 4.7 30.2 1.0
C2B B:HEM750 4.8 27.7 1.0
N B:ILE419 4.8 28.4 1.0
CB B:ILE419 4.9 29.4 1.0
N B:ARG418 4.9 27.1 1.0
CAB B:HEM750 4.9 28.5 1.0
C3B B:HEM750 4.9 27.9 1.0
CE2 B:TRP587 5.0 29.5 1.0

Fluorine binding site 5 out of 6 in 1zzr

Go back to Fluorine Binding Sites List in 1zzr
Fluorine binding site 5 out of 6 in the Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F866

b:48.1
occ:1.00
 F2 B:TFA866 0.0 48.1 1.0
C2 B:TFA866 1.4 45.8 1.0
F1 B:TFA866 2.3 48.9 1.0
F3 B:TFA866 2.3 48.4 1.0
C1 B:TFA866 2.3 44.2 1.0
OXT B:TFA866 2.4 42.3 1.0
O B:TFA866 3.4 45.4 1.0
CB B:ALA654 3.6 27.9 1.0
CMB B:HEM750 3.6 29.2 1.0
CA B:GLY417 3.7 27.7 1.0
CA B:ALA654 3.9 28.8 1.0
CG1 B:VAL649 4.0 29.8 1.0
O B:VAL416 4.1 25.5 1.0
O B:HOH898 4.2 27.6 1.0
C2B B:HEM750 4.4 27.7 1.0
N B:GLY417 4.4 26.0 1.0
O B:ALA654 4.5 26.2 1.0
C B:VAL416 4.6 25.3 1.0
C B:ALA654 4.7 28.0 1.0
NE1 B:TRP587 4.8 30.0 1.0
CG2 B:VAL649 4.8 33.0 1.0
C B:GLY417 4.8 26.9 1.0
CG1 B:VAL416 4.8 21.4 1.0
CB B:VAL649 4.8 33.2 1.0
O B:HOH1023 4.8 46.8 1.0
O B:GLY417 4.9 27.0 1.0

Fluorine binding site 6 out of 6 in 1zzr

Go back to Fluorine Binding Sites List in 1zzr
Fluorine binding site 6 out of 6 in the Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Rat Nnos D597N/M336V Double Mutant with L-N(Omega)-Nitroarginine-(4R)- Amino-L-Proline Amide Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F866

b:48.4
occ:1.00
 F3 B:TFA866 0.0 48.4 1.0
C2 B:TFA866 1.3 45.8 1.0
F1 B:TFA866 2.2 48.9 1.0
C1 B:TFA866 2.2 44.2 1.0
F2 B:TFA866 2.3 48.1 1.0
O B:TFA866 2.6 45.4 1.0
O B:HOH898 2.8 27.6 1.0
OXT B:TFA866 3.3 42.3 1.0
CB B:SER657 3.4 31.3 1.0
CG2 B:ILE419 3.7 28.2 1.0
O B:ALA654 3.9 26.2 1.0
OG B:SER657 4.0 32.3 1.0
O B:HOH1023 4.0 46.8 1.0
O B:VAL416 4.0 25.5 1.0
CA B:ALA654 4.1 28.8 1.0
CA B:GLY417 4.2 27.7 1.0
C B:ALA654 4.4 28.0 1.0
CB B:ALA654 4.5 27.9 1.0
CB B:ILE419 4.5 29.4 1.0
CA B:SER657 4.6 30.3 1.0
N B:PHE658 4.7 28.6 1.0
C B:GLY417 4.7 26.9 1.0
O B:GLY417 4.8 27.0 1.0
C B:SER657 4.8 29.8 1.0
C B:VAL416 4.9 25.3 1.0

Reference:

H.Li, M.L.Flinspach, J.Igarashi, J.Jamal, W.Yang, E.A.Litzinger, H.Huang, E.P.Erdal, R.B.Silverman, T.L.Poulos. Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases. Biochemistry V. 44 15222 2005.
ISSN: ISSN 0006-2960
PubMed: 16285725
DOI: 10.1021/BI0513610
Page generated: Sun Dec 13 11:34:36 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy