Iron in PDB 3ir7: Crystal Structure of Narghi Mutant Narg-R94S

All present enzymatic activity of Crystal Structure of Narghi Mutant Narg-R94S:
1.7.99.4;

The structure of Crystal Structure of Narghi Mutant Narg-R94S, PDB code: 3ir7 was solved by M.G.Bertero, R.A.Rothery, J.H.Weiner, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.96 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	153.851, 241.147, 139.966, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 24.3

The structure of Crystal Structure of Narghi Mutant Narg-R94S also contains other interesting chemical elements:

Molybdenum

(Mo)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Narghi Mutant Narg-R94S (pdb code 3ir7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 21 binding sites of Iron where determined in the Crystal Structure of Narghi Mutant Narg-R94S, PDB code: 3ir7:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:30.7 occ:1.00 FE1 A:SF41248 0.0 30.7 1.0 S2 A:SF41248 2.3 30.7 1.0 S4 A:SF41248 2.3 31.6 1.0 S3 A:SF41248 2.3 30.3 1.0 SG A:CYS57 2.3 30.1 1.0 FE4 A:SF41248 2.6 34.1 1.0 FE3 A:SF41248 2.7 31.5 1.0 FE2 A:SF41248 2.7 31.9 1.0 CB A:CYS57 3.3 27.5 1.0 S1 A:SF41248 3.8 31.4 1.0 CA A:GLY55 3.9 35.4 1.0 N A:CYS57 4.0 29.8 1.0 CA A:GLY91 4.1 26.5 1.0 CA A:CYS57 4.2 28.1 1.0 C A:GLY55 4.3 35.2 1.0 N A:SER56 4.3 32.5 1.0 C A:GLY91 4.4 27.6 1.0 NE1 A:TRP59 4.4 32.6 1.0 N A:GLY91 4.4 26.1 1.0 ND1 A:HIS49 4.5 32.6 1.0 SG A:CYS53 4.6 37.2 1.0 N A:CYS92 4.7 29.3 1.0 CG A:PRO262 4.7 24.3 1.0 SG A:CYS92 4.7 30.7 1.0 O A:GLY91 4.8 28.1 1.0 O A:GLY55 4.9 33.3 1.0 CB A:PRO262 4.9 24.6 1.0 C A:SER56 5.0 31.5 1.0

Iron binding site 2 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:31.9 occ:1.00 FE2 A:SF41248 0.0 31.9 1.0 S3 A:SF41248 2.3 30.3 1.0 SG A:CYS92 2.3 30.7 1.0 S1 A:SF41248 2.3 31.4 1.0 S4 A:SF41248 2.3 31.6 1.0 FE4 A:SF41248 2.7 34.1 1.0 FE1 A:SF41248 2.7 30.7 1.0 FE3 A:SF41248 2.7 31.5 1.0 CB A:CYS92 3.3 28.3 1.0 N A:GLY95 3.8 26.6 1.0 S2 A:SF41248 3.9 30.7 1.0 N A:CYS92 3.9 29.3 1.0 CA A:GLY95 3.9 28.7 1.0 CA A:CYS92 4.1 29.5 1.0 C A:GLY91 4.4 27.6 1.0 ND1 A:HIS49 4.5 32.6 1.0 C A:CYS92 4.6 30.4 1.0 O A:CYS92 4.6 29.8 1.0 SG A:CYS53 4.7 37.2 1.0 SG A:CYS57 4.8 30.1 1.0 O A:GLY91 4.8 28.1 1.0 CA A:GLY91 4.9 26.5 1.0

Iron binding site 3 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:31.5 occ:1.00 FE3 A:SF41248 0.0 31.5 1.0 ND1 A:HIS49 2.0 32.6 1.0 S2 A:SF41248 2.3 30.7 1.0 S4 A:SF41248 2.3 31.6 1.0 S1 A:SF41248 2.3 31.4 1.0 FE1 A:SF41248 2.7 30.7 1.0 FE2 A:SF41248 2.7 31.9 1.0 FE4 A:SF41248 2.7 34.1 1.0 CE1 A:HIS49 2.9 32.2 1.0 CG A:HIS49 3.1 31.7 1.0 CB A:HIS49 3.5 31.1 1.0 CA A:GLY95 3.7 28.7 1.0 S3 A:SF41248 3.9 30.3 1.0 NE1 A:TRP59 4.0 32.6 1.0 NE2 A:HIS49 4.0 32.1 1.0 CD2 A:HIS49 4.1 32.3 1.0 N A:GLY95 4.5 26.6 1.0 OH A:TYR1101 4.5 29.3 1.0 SG A:CYS57 4.7 30.1 1.0 CE2 A:TRP59 4.8 31.2 1.0 SG A:CYS92 4.8 30.7 1.0 CD1 A:TRP59 4.8 29.9 1.0 SG A:CYS53 4.8 37.2 1.0 CA A:HIS49 4.8 31.1 1.0 CB A:CYS57 4.9 27.5 1.0 C A:GLY95 4.9 28.1 1.0 N A:HIS49 4.9 30.6 1.0 CZ2 A:TRP59 5.0 31.3 1.0 CG1 A:VAL51 5.0 29.6 1.0

Iron binding site 4 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:34.1 occ:1.00 FE4 A:SF41248 0.0 34.1 1.0 S3 A:SF41248 2.3 30.3 1.0 SG A:CYS53 2.3 37.2 1.0 S2 A:SF41248 2.3 30.7 1.0 S1 A:SF41248 2.3 31.4 1.0 FE1 A:SF41248 2.6 30.7 1.0 FE2 A:SF41248 2.7 31.9 1.0 FE3 A:SF41248 2.7 31.5 1.0 CB A:CYS53 3.4 37.3 1.0 CA A:GLY55 3.8 35.4 1.0 S4 A:SF41248 3.8 31.6 1.0 N A:GLY55 4.2 36.0 1.0 CG1 A:VAL51 4.2 29.6 1.0 N A:SER56 4.4 32.5 1.0 ND1 A:HIS49 4.5 32.6 1.0 C A:GLY55 4.6 35.2 1.0 SG A:CYS57 4.7 30.1 1.0 SG A:CYS92 4.7 30.7 1.0 CA A:CYS53 4.8 40.0 1.0 CB A:HIS49 4.9 31.1 1.0

Iron binding site 5 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:25.5 occ:1.00 FE1 B:SF4802 0.0 25.5 1.0 S4 B:SF4802 2.2 27.2 1.0 S2 B:SF4802 2.3 26.3 1.0 S3 B:SF4802 2.3 27.7 1.0 SG B:CYS263 2.3 26.6 1.0 FE2 B:SF4802 2.7 27.2 1.0 FE4 B:SF4802 2.7 26.8 1.0 FE3 B:SF4802 2.8 27.4 1.0 CB B:CYS263 3.4 25.9 1.0 CA B:CYS263 3.8 26.5 1.0 S1 B:SF4802 3.9 26.6 1.0 N B:GLY265 4.0 23.5 1.0 C B:CYS263 4.1 26.8 1.0 N B:VAL264 4.2 24.6 1.0 CG1 B:ILE267 4.2 21.1 1.0 CD1 B:ILE267 4.3 23.9 1.0 CG2 B:ILE267 4.5 20.3 1.0 CA B:GLY265 4.5 22.0 1.0 NE B:ARG268 4.7 27.2 1.0 SG B:CYS22 4.7 28.5 1.0 SG B:CYS19 4.8 30.3 1.0 O B:CYS263 4.8 28.3 1.0 SG B:CYS16 4.9 27.8 1.0

Iron binding site 6 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:27.2 occ:1.00 FE2 B:SF4802 0.0 27.2 1.0 S4 B:SF4802 2.3 27.2 1.0 S3 B:SF4802 2.3 27.7 1.0 S1 B:SF4802 2.3 26.6 1.0 SG B:CYS22 2.3 28.5 1.0 FE1 B:SF4802 2.7 25.5 1.0 FE3 B:SF4802 2.7 27.4 1.0 FE4 B:SF4802 2.7 26.8 1.0 CB B:CYS22 3.3 25.0 1.0 S2 B:SF4802 3.9 26.3 1.0 NH2 B:ARG268 3.9 25.9 1.0 N B:CYS22 4.1 26.3 1.0 CA B:CYS22 4.3 26.4 1.0 CG2 B:VAL44 4.4 15.1 1.0 N B:HIS20 4.5 29.8 1.0 CB B:PRO181 4.5 24.9 1.0 N B:THR21 4.7 26.4 1.0 SG B:CYS19 4.7 30.3 1.0 SG B:CYS263 4.7 26.6 1.0 CZ B:ARG268 4.7 26.6 1.0 NE B:ARG268 4.7 27.2 1.0 CA B:HIS20 4.8 29.3 1.0 SG B:CYS16 4.8 27.8 1.0 C B:HIS20 4.9 27.9 1.0

Iron binding site 7 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:27.4 occ:1.00 FE3 B:SF4802 0.0 27.4 1.0 S4 B:SF4802 2.3 27.2 1.0 S1 B:SF4802 2.3 26.6 1.0 S2 B:SF4802 2.3 26.3 1.0 SG B:CYS19 2.3 30.3 1.0 FE2 B:SF4802 2.7 27.2 1.0 FE1 B:SF4802 2.8 25.5 1.0 FE4 B:SF4802 2.8 26.8 1.0 N B:CYS19 3.6 29.8 1.0 CB B:CYS19 3.6 30.1 1.0 S3 B:SF4802 3.9 27.7 1.0 N B:HIS20 3.9 29.8 1.0 CA B:CYS19 4.0 29.9 1.0 CG1 B:ILE17 4.1 27.2 1.0 C B:CYS19 4.3 29.9 1.0 N B:THR21 4.4 26.4 1.0 N B:GLY265 4.6 23.5 1.0 N B:GLY18 4.7 32.8 1.0 SG B:CYS22 4.7 28.5 1.0 N B:VAL264 4.7 24.6 1.0 C B:GLY18 4.7 31.3 1.0 CD1 B:ILE17 4.8 28.1 1.0 SG B:CYS16 4.8 27.8 1.0 CB B:VAL264 4.8 22.2 1.0 SG B:CYS263 4.9 26.6 1.0 CB B:THR21 4.9 25.1 1.0 CA B:HIS20 4.9 29.3 1.0 N B:ILE17 4.9 28.8 1.0 CA B:GLY18 5.0 31.9 1.0 OG1 B:THR21 5.0 29.0 1.0

Iron binding site 8 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:26.8 occ:1.00 FE4 B:SF4802 0.0 26.8 1.0 S3 B:SF4802 2.3 27.7 1.0 S1 B:SF4802 2.3 26.6 1.0 S2 B:SF4802 2.3 26.3 1.0 SG B:CYS16 2.3 27.8 1.0 FE1 B:SF4802 2.7 25.5 1.0 FE2 B:SF4802 2.7 27.2 1.0 FE3 B:SF4802 2.8 27.4 1.0 CB B:CYS16 3.5 26.8 1.0 S4 B:SF4802 3.9 27.2 1.0 CA B:CYS16 3.9 27.9 1.0 CD1 B:ILE267 4.0 23.9 1.0 N B:ILE17 4.1 28.8 1.0 N B:GLY18 4.1 32.8 1.0 C B:CYS16 4.4 26.9 1.0 CG B:PRO181 4.5 23.7 1.0 CA B:GLY18 4.6 31.9 1.0 N B:CYS19 4.7 29.8 1.0 CB B:PRO181 4.7 24.9 1.0 SG B:CYS263 4.8 26.6 1.0 SG B:CYS22 4.9 28.5 1.0 CG1 B:ILE267 4.9 21.1 1.0 SG B:CYS19 5.0 30.3 1.0

Iron binding site 9 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe803 b:24.2 occ:1.00 FE1 B:SF4803 0.0 24.2 1.0 S4 B:SF4803 2.2 23.7 1.0 S2 B:SF4803 2.2 20.8 1.0 SG B:CYS247 2.3 24.1 1.0 S3 B:SF4803 2.3 23.1 1.0 FE3 B:SF4803 2.6 21.6 1.0 FE4 B:SF4803 2.7 21.7 1.0 FE2 B:SF4803 2.7 22.7 1.0 CB B:CYS247 3.5 25.7 1.0 N B:CYS247 3.5 23.8 1.0 S1 B:SF4803 3.8 22.9 1.0 CA B:CYS247 4.0 24.5 1.0 NE1 B:TRP30 4.0 24.4 1.0 C B:PHE246 4.2 23.1 1.0 CB B:THR257 4.2 20.7 1.0 CD1 B:TRP30 4.4 25.1 1.0 N B:VAL258 4.4 23.2 1.0 CA B:PHE246 4.4 22.7 1.0 SG B:CYS259 4.6 26.0 1.0 N B:PHE246 4.6 23.6 1.0 OG1 B:THR257 4.7 21.4 1.0 SG B:CYS26 4.7 23.5 1.0 SG B:CYS244 4.8 22.5 1.0 N B:CYS259 4.8 24.1 1.0 CB B:VAL258 4.9 20.4 1.0 CG2 B:THR257 4.9 20.9 1.0

Iron binding site 10 out of 21 in the Crystal Structure of Narghi Mutant Narg-R94S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Narghi Mutant Narg-R94S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe803 b:22.7 occ:1.00 FE2 B:SF4803 0.0 22.7 1.0 S1 B:SF4803 2.2 22.9 1.0 S3 B:SF4803 2.3 23.1 1.0 SG B:CYS244 2.3 22.5 1.0 S4 B:SF4803 2.3 23.7 1.0 FE4 B:SF4803 2.7 21.7 1.0 FE3 B:SF4803 2.7 21.6 1.0 FE1 B:SF4803 2.7 24.2 1.0 CB B:CYS244 3.3 22.9 1.0 S2 B:SF4803 3.8 20.8 1.0 N B:PHE246 3.8 23.6 1.0 CA B:CYS244 3.9 23.7 1.0 CA B:PHE246 4.0 22.7 1.0 N B:ILE245 4.2 23.8 1.0 C B:CYS244 4.3 24.1 1.0 CD1 B:LEU183 4.4 20.5 1.0 N B:CYS247 4.5 23.8 1.0 CB B:LEU183 4.7 22.3 1.0 C B:PHE246 4.7 23.1 1.0 CB B:PHE41 4.7 21.2 1.0 SG B:CYS26 4.8 23.5 1.0 SG B:CYS259 4.8 26.0 1.0 C B:ILE245 4.9 22.9 1.0 SG B:CYS247 4.9 24.1 1.0

R.A.Rothery, M.G.Bertero, T.Spreter, N.Bouromand, N.C.Strynadka, J.H.Weiner. Protein Crystallography Reveals A Role For the FS0 Cluster of Escherichia Coli Nitrate Reductase A (Narghi) in Enzyme Maturation. J.Biol.Chem. V. 285 8801 2010.
ISSN: ISSN 0021-9258
PubMed: 20053990
DOI: 10.1074/JBC.M109.066027