Iron in PDB 1q16: Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli

All present enzymatic activity of Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli:
1.7.99.4;

The structure of Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli, PDB code: 1q16 was solved by M.G.Bertero, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.68 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	154.175, 241.376, 139.494, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23

The structure of Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli 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 Nitrate Reductase A, Narghi, From Escherichia Coli (pdb code 1q16). 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 Nitrate Reductase A, Narghi, From Escherichia Coli, PDB code: 1q16:
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 Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1401 b:19.0 occ:1.00 FE1 A:SF41401 0.0 19.0 1.0 S3 A:SF41401 2.3 22.6 1.0 S2 A:SF41401 2.3 22.4 1.0 S4 A:SF41401 2.3 19.3 1.0 SG A:CYS57 2.3 19.1 1.0 FE4 A:SF41401 2.7 24.7 1.0 FE2 A:SF41401 2.7 22.7 1.0 FE3 A:SF41401 2.7 20.4 1.0 CB A:CYS57 3.2 18.9 1.0 S1 A:SF41401 3.9 22.0 1.0 N A:CYS57 4.0 16.8 1.0 CA A:GLY55 4.0 21.4 1.0 CA A:GLY91 4.1 15.1 1.0 CA A:CYS57 4.2 17.2 1.0 C A:GLY55 4.3 19.5 1.0 C A:GLY91 4.3 16.0 1.0 N A:GLY91 4.4 14.9 1.0 NE1 A:TRP59 4.4 16.1 1.0 N A:SER56 4.4 18.7 1.0 ND1 A:HIS49 4.5 21.1 1.0 N A:CYS92 4.6 15.3 1.0 SG A:CYS53 4.7 25.6 1.0 CG A:PRO262 4.7 15.2 1.0 SG A:CYS92 4.7 18.5 1.0 O A:GLY91 4.8 18.5 1.0 O A:GLY55 4.8 21.8 1.0 CB A:CYS92 4.9 14.6 1.0 C A:SER56 5.0 19.4 1.0 N A:GLY55 5.0 22.6 1.0 CB A:PRO262 5.0 13.4 1.0

Iron binding site 2 out of 21 in the Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1401 b:22.7 occ:1.00 FE2 A:SF41401 0.0 22.7 1.0 SG A:CYS92 2.3 18.5 1.0 S3 A:SF41401 2.3 22.6 1.0 S1 A:SF41401 2.3 22.0 1.0 S4 A:SF41401 2.3 19.3 1.0 FE4 A:SF41401 2.7 24.7 1.0 FE1 A:SF41401 2.7 19.0 1.0 FE3 A:SF41401 2.7 20.4 1.0 CB A:CYS92 3.3 14.6 1.0 N A:GLY95 3.8 16.9 1.0 S2 A:SF41401 3.8 22.4 1.0 N A:CYS92 3.9 15.3 1.0 CA A:GLY95 4.1 17.9 1.0 CA A:CYS92 4.1 14.8 1.0 C A:GLY91 4.4 16.0 1.0 ND1 A:HIS49 4.5 21.1 1.0 O A:CYS92 4.5 14.1 1.0 C A:CYS92 4.5 14.6 1.0 SG A:CYS53 4.7 25.6 1.0 CB A:ARG94 4.8 16.8 1.0 SG A:CYS57 4.8 19.1 1.0 O A:GLY91 4.8 18.5 1.0 CA A:GLY91 4.9 15.1 1.0 C A:ARG94 5.0 16.5 1.0

Iron binding site 3 out of 21 in the Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1401 b:20.4 occ:1.00 FE3 A:SF41401 0.0 20.4 1.0 ND1 A:HIS49 2.0 21.1 1.0 S2 A:SF41401 2.3 22.4 1.0 S4 A:SF41401 2.3 19.3 1.0 S1 A:SF41401 2.3 22.0 1.0 FE4 A:SF41401 2.7 24.7 1.0 FE2 A:SF41401 2.7 22.7 1.0 FE1 A:SF41401 2.7 19.0 1.0 CE1 A:HIS49 2.9 21.6 1.0 CG A:HIS49 3.1 20.1 1.0 CB A:HIS49 3.5 17.2 1.0 CA A:GLY95 3.8 17.9 1.0 S3 A:SF41401 3.9 22.6 1.0 NE1 A:TRP59 4.0 16.1 1.0 NE2 A:HIS49 4.1 21.8 1.0 CD2 A:HIS49 4.2 21.8 1.0 OH A:TYR1101 4.3 18.8 1.0 N A:GLY95 4.4 16.9 1.0 SG A:CYS57 4.7 19.1 1.0 SG A:CYS92 4.7 18.5 1.0 SG A:CYS53 4.7 25.6 1.0 CD1 A:TRP59 4.8 17.7 1.0 CG1 A:VAL51 4.8 24.3 1.0 CA A:HIS49 4.8 19.6 1.0 CE2 A:TRP59 4.8 15.8 1.0 CB A:CYS57 4.9 18.9 1.0 N A:HIS49 4.9 20.9 1.0 C A:GLY95 5.0 15.7 1.0

Iron binding site 4 out of 21 in the Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1401 b:24.7 occ:1.00 FE4 A:SF41401 0.0 24.7 1.0 S2 A:SF41401 2.3 22.4 1.0 S3 A:SF41401 2.3 22.6 1.0 SG A:CYS53 2.3 25.6 1.0 S1 A:SF41401 2.3 22.0 1.0 FE2 A:SF41401 2.7 22.7 1.0 FE1 A:SF41401 2.7 19.0 1.0 FE3 A:SF41401 2.7 20.4 1.0 CB A:CYS53 3.4 24.8 1.0 S4 A:SF41401 3.8 19.3 1.0 CG1 A:VAL51 4.0 24.3 1.0 CA A:GLY55 4.1 21.4 1.0 N A:GLY55 4.3 22.6 1.0 ND1 A:HIS49 4.5 21.1 1.0 O A:HOH1560 4.5 24.3 1.0 N A:SER56 4.6 18.7 1.0 SG A:CYS92 4.7 18.5 1.0 CA A:CYS53 4.7 26.6 1.0 SG A:CYS57 4.7 19.1 1.0 CB A:HIS49 4.8 17.2 1.0 C A:GLY55 4.8 19.5 1.0

Iron binding site 5 out of 21 in the Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1402 b:19.1 occ:1.00 FE1 B:SF41402 0.0 19.1 1.0 S4 B:SF41402 2.3 21.9 1.0 S3 B:SF41402 2.3 23.2 1.0 S2 B:SF41402 2.3 21.4 1.0 SG B:CYS263 2.3 17.0 1.0 FE2 B:SF41402 2.7 21.9 1.0 FE3 B:SF41402 2.8 20.1 1.0 FE4 B:SF41402 2.8 21.2 1.0 CB B:CYS263 3.4 16.8 1.0 CA B:CYS263 3.8 14.4 1.0 S1 B:SF41402 3.9 20.6 1.0 N B:GLY265 4.1 12.9 1.0 N B:VAL264 4.1 14.9 1.0 C B:CYS263 4.1 15.8 1.0 CG1 B:ILE267 4.3 15.0 1.0 CD1 B:ILE267 4.4 15.1 1.0 CG2 B:ILE267 4.5 14.1 1.0 NE B:ARG268 4.6 20.5 1.0 CA B:GLY265 4.7 12.1 1.0 SG B:CYS22 4.7 16.5 1.0 SG B:CYS19 4.8 19.8 1.0 O B:CYS263 4.9 12.5 1.0 SG B:CYS16 5.0 20.1 1.0 CB B:CYS22 5.0 14.1 1.0

Iron binding site 6 out of 21 in the Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1402 b:21.9 occ:1.00 FE2 B:SF41402 0.0 21.9 1.0 S4 B:SF41402 2.3 21.9 1.0 S1 B:SF41402 2.3 20.6 1.0 S3 B:SF41402 2.3 23.2 1.0 SG B:CYS22 2.3 16.5 1.0 FE1 B:SF41402 2.7 19.1 1.0 FE3 B:SF41402 2.7 20.1 1.0 FE4 B:SF41402 2.8 21.2 1.0 CB B:CYS22 3.3 14.1 1.0 S2 B:SF41402 3.8 21.4 1.0 NH2 B:ARG268 3.9 19.3 1.0 N B:CYS22 4.0 14.4 1.0 CA B:CYS22 4.3 15.9 1.0 N B:HIS20 4.3 17.0 1.0 CG2 B:VAL44 4.4 14.6 1.0 N B:THR21 4.5 13.7 1.0 CA B:HIS20 4.6 16.1 1.0 SG B:CYS19 4.6 19.8 1.0 CB B:PRO181 4.6 18.9 1.0 CZ B:ARG268 4.7 18.7 1.0 NE B:ARG268 4.7 20.5 1.0 SG B:CYS263 4.7 17.0 1.0 C B:HIS20 4.8 17.7 1.0 SG B:CYS16 4.9 20.1 1.0

Iron binding site 7 out of 21 in the Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1402 b:20.1 occ:1.00 FE3 B:SF41402 0.0 20.1 1.0 S4 B:SF41402 2.3 21.9 1.0 S1 B:SF41402 2.3 20.6 1.0 S2 B:SF41402 2.3 21.4 1.0 SG B:CYS19 2.3 19.8 1.0 FE2 B:SF41402 2.7 21.9 1.0 FE4 B:SF41402 2.7 21.2 1.0 FE1 B:SF41402 2.8 19.1 1.0 N B:CYS19 3.6 15.8 1.0 CB B:CYS19 3.7 16.8 1.0 S3 B:SF41402 3.9 23.2 1.0 N B:HIS20 3.9 17.0 1.0 CA B:CYS19 4.0 17.4 1.0 CG1 B:ILE17 4.2 21.0 1.0 C B:CYS19 4.3 15.6 1.0 N B:THR21 4.4 13.7 1.0 N B:GLY265 4.6 12.9 1.0 N B:GLY18 4.6 21.1 1.0 SG B:CYS22 4.7 16.5 1.0 C B:GLY18 4.7 20.6 1.0 N B:VAL264 4.7 14.9 1.0 CD1 B:ILE17 4.8 21.6 1.0 SG B:CYS16 4.8 20.1 1.0 CA B:HIS20 4.9 16.1 1.0 SG B:CYS263 4.9 17.0 1.0 N B:ILE17 4.9 18.6 1.0 CB B:VAL264 4.9 16.6 1.0 CB B:THR21 4.9 15.0 1.0 CA B:GLY18 5.0 20.8 1.0 OG1 B:THR21 5.0 13.9 1.0

Iron binding site 8 out of 21 in the Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1402 b:21.2 occ:1.00 FE4 B:SF41402 0.0 21.2 1.0 S1 B:SF41402 2.3 20.6 1.0 S3 B:SF41402 2.3 23.2 1.0 S2 B:SF41402 2.3 21.4 1.0 SG B:CYS16 2.3 20.1 1.0 FE3 B:SF41402 2.7 20.1 1.0 FE2 B:SF41402 2.8 21.9 1.0 FE1 B:SF41402 2.8 19.1 1.0 CB B:CYS16 3.6 15.9 1.0 S4 B:SF41402 3.9 21.9 1.0 CA B:CYS16 3.9 16.3 1.0 CD1 B:ILE267 4.0 15.1 1.0 N B:ILE17 4.1 18.6 1.0 N B:GLY18 4.1 21.1 1.0 C B:CYS16 4.5 17.1 1.0 CG B:PRO181 4.6 21.1 1.0 CA B:GLY18 4.6 20.8 1.0 N B:CYS19 4.7 15.8 1.0 CB B:PRO181 4.7 18.9 1.0 SG B:CYS263 4.8 17.0 1.0 CG1 B:ILE267 4.9 15.0 1.0 SG B:CYS22 4.9 16.5 1.0 SG B:CYS19 4.9 19.8 1.0 CG2 B:ILE267 5.0 14.1 1.0

Iron binding site 9 out of 21 in the Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1403 b:15.3 occ:1.00 FE1 B:SF41403 0.0 15.3 1.0 S2 B:SF41403 2.3 13.4 1.0 S4 B:SF41403 2.3 13.2 1.0 S3 B:SF41403 2.3 13.1 1.0 SG B:CYS247 2.3 15.2 1.0 FE3 B:SF41403 2.7 14.6 1.0 FE4 B:SF41403 2.7 14.1 1.0 FE2 B:SF41403 2.7 14.5 1.0 N B:CYS247 3.4 9.7 1.0 CB B:CYS247 3.5 12.5 1.0 S1 B:SF41403 3.9 13.8 1.0 CA B:CYS247 3.9 10.6 1.0 NE1 B:TRP30 3.9 12.2 1.0 C B:PHE246 4.1 13.8 1.0 CB B:THR257 4.2 13.8 1.0 CA B:PHE246 4.3 13.0 1.0 CD1 B:TRP30 4.4 12.1 1.0 N B:VAL258 4.4 14.7 1.0 N B:PHE246 4.5 11.9 1.0 SG B:CYS259 4.6 14.1 1.0 SG B:CYS26 4.8 15.3 1.0 SG B:CYS244 4.8 14.3 1.0 CG2 B:THR257 4.9 11.2 1.0 N B:CYS259 4.9 15.7 1.0 CB B:VAL258 4.9 11.4 1.0 OG1 B:THR257 4.9 14.0 1.0 O B:PHE246 4.9 14.0 1.0 CE2 B:TRP30 5.0 13.6 1.0 CA B:THR257 5.0 15.4 1.0

Iron binding site 10 out of 21 in the Crystal Structure of Nitrate Reductase A, Narghi, From Escherichia Coli


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 Nitrate Reductase A, Narghi, From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1403 b:14.5 occ:1.00 FE2 B:SF41403 0.0 14.5 1.0 S1 B:SF41403 2.3 13.8 1.0 S4 B:SF41403 2.3 13.2 1.0 S3 B:SF41403 2.3 13.1 1.0 SG B:CYS244 2.3 14.3 1.0 FE3 B:SF41403 2.7 14.6 1.0 FE4 B:SF41403 2.7 14.1 1.0 FE1 B:SF41403 2.7 15.3 1.0 CB B:CYS244 3.3 13.6 1.0 N B:PHE246 3.7 11.9 1.0 S2 B:SF41403 3.8 13.4 1.0 CA B:CYS244 3.8 12.9 1.0 CA B:PHE246 4.0 13.0 1.0 N B:ILE245 4.1 12.8 1.0 CD1 B:LEU183 4.1 14.9 1.0 C B:CYS244 4.3 11.7 1.0 N B:CYS247 4.5 9.7 1.0 CB B:LEU183 4.6 14.8 1.0 C B:PHE246 4.7 13.8 1.0 CB B:PHE41 4.8 11.5 1.0 SG B:CYS259 4.8 14.1 1.0 C B:ILE245 4.8 12.7 1.0 SG B:CYS26 4.8 15.3 1.0 SG B:CYS247 5.0 15.2 1.0

M.G.Bertero, R.A.Rothery, M.Palak, C.Hou, D.Lim, F.Blasco, J.H.Weiner, N.C.J.Strynadka. Insights Into the Respiratory Electron Transfer Pathway From the Structure of Nitrate Reductase A Nat.Struct.Biol. V. 10 681 2003.
ISSN: ISSN 1072-8368
PubMed: 12910261
DOI: 10.1038/NSB969