Zinc in PDB 1ych: X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase

The structure of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase, PDB code: 1ych was solved by R.Silaghi-Dumitrescu, D.M.Kurtz, W.N.Lanzilotta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.91 / 2.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	160.327, 160.327, 279.144, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 24.5

The structure of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase also contains other interesting chemical elements:

Iron

(Fe)

8 atoms

The binding sites of Zinc atom in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase (pdb code 1ych). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase, PDB code: 1ych:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn600 b:91.6 occ:1.00 OE2 A:GLU60 2.7 66.2 1.0 OG A:SER2 3.0 77.5 1.0 CB A:SER2 3.2 76.3 1.0 CD A:GLU60 3.8 68.2 1.0 CA A:SER2 3.8 74.7 1.0 OE1 A:GLU60 4.2 70.0 1.0 N A:SER2 4.3 75.1 1.0 O A:HOH768 4.9 66.2 1.0

Zinc binding site 2 out of 8 in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:82.8 occ:1.00 NE2 A:HIS271 2.5 59.8 1.0 OD2 A:ASP275 3.0 60.6 1.0 OD1 A:ASP275 3.0 61.1 1.0 CE1 A:HIS271 3.2 59.7 1.0 CG A:ASP275 3.4 60.0 1.0 CD2 A:HIS271 3.7 58.7 1.0 ND1 A:HIS271 4.4 58.4 1.0 CG A:HIS271 4.7 57.2 1.0 CB A:ASP275 4.8 56.2 1.0

Zinc binding site 3 out of 8 in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn610 b:90.9 occ:1.00 OE2 B:GLU60 2.9 62.9 1.0 CB B:SER2 3.2 76.3 1.0 OG B:SER2 3.4 78.0 1.0 CA B:SER2 3.8 76.1 1.0 CD B:GLU60 3.8 63.6 1.0 OE1 B:GLU60 4.0 63.5 1.0 N B:SER2 4.5 75.0 1.0

Zinc binding site 4 out of 8 in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn611 b:86.5 occ:1.00 NE2 B:HIS271 2.5 65.1 1.0 OD2 B:ASP275 2.6 62.7 1.0 OD1 B:ASP275 2.8 62.7 1.0 CG B:ASP275 3.1 63.1 1.0 CE1 B:HIS271 3.3 65.8 1.0 CD2 B:HIS271 3.5 64.7 1.0 ND1 B:HIS271 4.5 65.6 1.0 CB B:ASP275 4.6 60.4 1.0 CG B:HIS271 4.6 64.7 1.0

Zinc binding site 5 out of 8 in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn620 b:80.5 occ:1.00 OE2 C:GLU60 2.7 50.0 1.0 CB C:SER2 3.0 72.8 1.0 OG C:SER2 3.0 75.5 1.0 CA C:SER2 3.6 69.8 1.0 CD C:GLU60 3.7 53.0 1.0 OE1 C:GLU60 4.0 55.1 1.0 N C:SER2 4.2 69.3 1.0

Zinc binding site 6 out of 8 in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn621 b:96.1 occ:1.00 NE2 C:HIS271 2.5 54.3 1.0 OD2 C:ASP275 3.0 64.0 1.0 OD1 C:ASP275 3.2 64.4 1.0 CE1 C:HIS271 3.4 55.6 1.0 CG C:ASP275 3.5 64.4 1.0 CD2 C:HIS271 3.6 53.7 1.0 ND1 C:HIS271 4.6 55.1 1.0 CG C:HIS271 4.7 54.9 1.0 CB C:ASP275 5.0 62.4 1.0

Zinc binding site 7 out of 8 in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn630 b:81.8 occ:1.00 OE2 D:GLU60 2.7 63.8 1.0 CB D:SER2 2.9 75.1 1.0 OG D:SER2 3.2 75.3 1.0 CA D:SER2 3.7 73.8 1.0 CD D:GLU60 3.8 63.6 1.0 N D:SER2 4.2 74.2 1.0 OE1 D:GLU60 4.3 65.1 1.0

Zinc binding site 8 out of 8 in the X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn631 b:93.0 occ:1.00 NE2 D:HIS271 2.7 53.3 1.0 OD1 D:ASP275 3.0 65.3 1.0 OD2 D:ASP275 3.3 68.6 1.0 CG D:ASP275 3.5 64.6 1.0 CE1 D:HIS271 3.6 54.4 1.0 CD2 D:HIS271 3.7 51.0 1.0 ND1 D:HIS271 4.7 52.6 1.0 CG D:HIS271 4.8 50.5 1.0 CB D:ASP275 4.9 61.2 1.0

R.Silaghi-Dumitrescu, D.M.Kurtz Jr, L.G.Ljungdahl, W.N.Lanzilotta. X-Ray Crystal Structures of Moorella Thermoacetica Fpra. Novel Diiron Site Structure and Mechanistic Insights Into A Scavenging Nitric Oxide Reductase. Biochemistry V. 44 6492 2005.
ISSN: ISSN 0006-2960
PubMed: 15850383
DOI: 10.1021/BI0473049