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Iron 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:

Fluorine (F) 6 atoms
Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron 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 Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1zzr

Go back to Iron Binding Sites List in 1zzr
Iron binding site 1 out of 2 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 Iron with other atoms in the Fe 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:Fe750

b:26.5
occ:1.00
FE A:HEM750 0.0 26.5 1.0
NC A:HEM750 2.0 26.9 1.0
ND A:HEM750 2.0 28.7 1.0
NA A:HEM750 2.0 29.2 1.0
NB A:HEM750 2.0 28.5 1.0
SG A:CYS415 2.2 28.4 1.0
C1C A:HEM750 3.0 27.1 1.0
C4D A:HEM750 3.1 27.9 1.0
C4C A:HEM750 3.1 26.6 1.0
C4B A:HEM750 3.1 27.9 1.0
C1D A:HEM750 3.1 26.5 1.0
C1A A:HEM750 3.1 27.6 1.0
C4A A:HEM750 3.1 28.6 1.0
C1B A:HEM750 3.1 27.1 1.0
CB A:CYS415 3.3 28.4 1.0
CHC A:HEM750 3.4 28.0 1.0
CHD A:HEM750 3.5 26.0 1.0
CHA A:HEM750 3.5 28.9 1.0
CHB A:HEM750 3.5 28.1 1.0
CA A:CYS415 4.1 25.8 1.0
C3D A:HEM750 4.3 28.1 1.0
C2C A:HEM750 4.3 28.1 1.0
C3C A:HEM750 4.3 27.2 1.0
C2D A:HEM750 4.3 28.1 1.0
NH1 A:DP9799 4.3 32.3 1.0
C3A A:HEM750 4.3 29.6 1.0
C2A A:HEM750 4.3 29.6 1.0
C3B A:HEM750 4.3 28.6 1.0
C2B A:HEM750 4.4 29.3 1.0
NO A:DP9799 4.4 32.9 1.0
NE1 A:TRP409 4.4 25.8 1.0
CZ A:DP9799 4.7 36.5 1.0
O2 A:DP9799 4.7 33.3 1.0
O3 A:DP9799 4.7 31.4 1.0
C A:CYS415 4.8 26.4 1.0
N A:GLY417 4.9 25.8 1.0
N A:VAL416 4.9 26.0 1.0

Iron binding site 2 out of 2 in 1zzr

Go back to Iron Binding Sites List in 1zzr
Iron binding site 2 out of 2 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 Iron with other atoms in the Fe 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
B:Fe750

b:24.9
occ:1.00
FE B:HEM750 0.0 24.9 1.0
NB B:HEM750 2.0 25.6 1.0
NA B:HEM750 2.0 26.5 1.0
NC B:HEM750 2.0 24.0 1.0
ND B:HEM750 2.0 24.3 1.0
SG B:CYS415 2.3 24.3 1.0
C4A B:HEM750 3.0 26.2 1.0
C4C B:HEM750 3.0 25.0 1.0
C1B B:HEM750 3.0 26.4 1.0
C1A B:HEM750 3.1 26.9 1.0
C1C B:HEM750 3.1 23.7 1.0
C4B B:HEM750 3.1 26.6 1.0
C1D B:HEM750 3.1 24.3 1.0
C4D B:HEM750 3.1 23.8 1.0
CB B:CYS415 3.3 23.4 1.0
CHB B:HEM750 3.4 27.7 1.0
CHD B:HEM750 3.4 25.0 1.0
CHC B:HEM750 3.5 25.2 1.0
CHA B:HEM750 3.5 24.7 1.0
CA B:CYS415 4.2 23.9 1.0
C3A B:HEM750 4.2 27.1 1.0
C2A B:HEM750 4.3 27.8 1.0
C3C B:HEM750 4.3 24.6 1.0
C2C B:HEM750 4.3 23.9 1.0
C2B B:HEM750 4.3 27.7 1.0
C3B B:HEM750 4.3 27.9 1.0
C3D B:HEM750 4.3 25.8 1.0
C2D B:HEM750 4.3 24.9 1.0
NO B:DP9800 4.3 32.4 1.0
NH1 B:DP9800 4.4 32.2 1.0
NE1 B:TRP409 4.5 22.5 1.0
O2 B:DP9800 4.5 35.0 1.0
CZ B:DP9800 4.6 32.7 1.0
O3 B:DP9800 4.6 32.8 1.0
N B:GLY417 4.8 26.0 1.0
C B:CYS415 4.9 24.5 1.0
NH2 B:DP9800 4.9 29.9 1.0
N B:VAL416 4.9 24.6 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 14:39:11 2020

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