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Iron in PDB 1lzz: Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound

Enzymatic activity of Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound

All present enzymatic activity of Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound:
1.14.13.39;

Protein crystallography data

The structure of Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound, PDB code: 1lzz was solved by H.Li, H.Shimizu, M.Flinspach, J.Jamal, W.Yang, M.Xian, T.Cai, E.Z.Wen, Q.Jia, P.G.Wang, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.42 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.020, 111.110, 163.780, 90.00, 90.00, 90.00
R / Rfree (%) 22.6 / 26.6

Other elements in 1lzz:

The structure of Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound (pdb code 1lzz). 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 Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound, PDB code: 1lzz:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1lzz

Go back to Iron Binding Sites List in 1lzz
Iron binding site 1 out of 2 in the Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe750

b:20.1
occ:1.00
FE A:HEM750 0.0 20.1 1.0
NC A:HEM750 2.0 20.8 1.0
NA A:HEM750 2.0 21.3 1.0
NB A:HEM750 2.0 21.3 1.0
ND A:HEM750 2.0 20.9 1.0
SG A:CYS415 2.2 22.0 1.0
C4C A:HEM750 3.0 20.4 1.0
C1C A:HEM750 3.0 20.8 1.0
C1B A:HEM750 3.0 20.7 1.0
C4A A:HEM750 3.1 20.8 1.0
C1D A:HEM750 3.1 20.5 1.0
C1A A:HEM750 3.1 21.0 1.0
C4B A:HEM750 3.1 21.1 1.0
C4D A:HEM750 3.1 20.5 1.0
CB A:CYS415 3.2 22.0 1.0
CHD A:HEM750 3.4 20.7 1.0
CHC A:HEM750 3.4 21.1 1.0
CHB A:HEM750 3.4 20.8 1.0
CHA A:HEM750 3.5 20.6 1.0
C3 A:IHG830 4.0 30.0 1.0
CA A:CYS415 4.1 21.5 1.0
C3C A:HEM750 4.2 20.6 1.0
C2C A:HEM750 4.3 20.7 1.0
C2A A:HEM750 4.3 21.0 1.0
C3A A:HEM750 4.3 21.2 1.0
C2B A:HEM750 4.3 21.2 1.0
NE A:IHG830 4.3 30.0 1.0
C2D A:HEM750 4.3 20.5 1.0
C3B A:HEM750 4.3 21.3 1.0
C3D A:HEM750 4.3 20.4 1.0
NE1 A:TRP409 4.4 21.7 1.0
C2 A:IHG830 4.8 30.4 1.0
C A:CYS415 4.8 21.6 1.0
N A:GLY417 4.8 22.1 1.0
OH A:IHG830 4.9 30.6 1.0
CZ A:IHG830 4.9 30.1 1.0
N A:VAL416 4.9 21.2 1.0

Iron binding site 2 out of 2 in 1lzz

Go back to Iron Binding Sites List in 1lzz
Iron binding site 2 out of 2 in the Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Rat Neuronal Nos Heme Domain with N-Isopropyl-N'-Hydroxyguanidine Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe750

b:18.8
occ:1.00
FE B:HEM750 0.0 18.8 1.0
NC B:HEM750 2.0 20.1 1.0
NB B:HEM750 2.0 20.4 1.0
ND B:HEM750 2.0 20.3 1.0
NA B:HEM750 2.0 20.4 1.0
SG B:CYS415 2.2 20.7 1.0
C4C B:HEM750 3.0 20.0 1.0
C1C B:HEM750 3.0 20.2 1.0
C1D B:HEM750 3.0 20.0 1.0
C1B B:HEM750 3.1 20.4 1.0
C4B B:HEM750 3.1 20.7 1.0
C4D B:HEM750 3.1 20.2 1.0
C1A B:HEM750 3.1 20.0 1.0
C4A B:HEM750 3.1 20.1 1.0
CB B:CYS415 3.3 19.9 1.0
CHC B:HEM750 3.4 20.1 1.0
CHD B:HEM750 3.4 19.9 1.0
CHA B:HEM750 3.5 20.2 1.0
CHB B:HEM750 3.5 20.5 1.0
C3 B:IHG1830 3.8 32.8 1.0
CA B:CYS415 4.1 19.9 1.0
C3C B:HEM750 4.2 20.2 1.0
C2C B:HEM750 4.3 20.2 1.0
C3D B:HEM750 4.3 20.7 1.0
C2D B:HEM750 4.3 20.2 1.0
C2A B:HEM750 4.3 20.0 1.0
C2B B:HEM750 4.3 21.0 1.0
C3A B:HEM750 4.3 19.9 1.0
C3B B:HEM750 4.3 20.9 1.0
NE B:IHG1830 4.4 32.6 1.0
NE1 B:TRP409 4.5 19.2 1.0
C2 B:IHG1830 4.7 33.2 1.0
N B:GLY417 4.8 20.1 1.0
C B:CYS415 4.8 19.8 1.0
OH B:IHG1830 4.9 32.6 1.0
N B:VAL416 4.9 19.3 1.0
CZ B:IHG1830 4.9 32.6 1.0

Reference:

H.Li, H.Shimizu, M.Flinspach, J.Jamal, W.Yang, M.Xian, T.Cai, E.Z.Wen, Q.Jia, P.G.Wang, T.L.Poulos. The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide Synthase Provides Mechanistic Insights Into No Biosynthesis Biochemistry V. 41 13868 2002.
ISSN: ISSN 0006-2960
PubMed: 12437343
DOI: 10.1021/BI020417C
Page generated: Sat Aug 3 09:56:28 2024

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