Iron in PDB 1siw: Crystal Structure of the Apomolybdo-Narghi

All present enzymatic activity of Crystal Structure of the Apomolybdo-Narghi:
1.7.99.4;

The structure of Crystal Structure of the Apomolybdo-Narghi, PDB code: 1siw was solved by R.A.Rothery, M.G.Bertero, R.Cammack, M.Palak, F.Blasco, N.C.Strynadka, J.H.Weiner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.73 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	154.001, 241.282, 140.387, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.4

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 the Apomolybdo-Narghi (pdb code 1siw). 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 the Apomolybdo-Narghi, PDB code: 1siw:
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 the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:20.4 occ:0.50 FE1 A:SF41248 0.0 20.4 0.5 S3 A:SF41248 2.3 28.3 0.5 S4 A:SF41248 2.3 20.8 0.5 S2 A:SF41248 2.3 27.4 0.5 SG A:CYS57 2.3 26.2 1.0 FE2 A:SF41248 2.7 31.8 0.5 FE4 A:SF41248 2.7 42.1 0.5 FE3 A:SF41248 2.7 30.9 0.5 CB A:CYS57 3.3 23.4 1.0 N A:CYS57 3.8 32.6 1.0 S1 A:SF41248 3.9 30.4 0.5 CA A:GLY55 4.0 46.5 1.0 C A:GLY55 4.1 46.4 1.0 N A:SER56 4.2 43.3 1.0 CA A:GLY91 4.2 19.2 1.0 CA A:CYS57 4.2 29.8 1.0 C A:GLY91 4.4 20.9 1.0 NE1 A:TRP59 4.5 28.5 1.0 ND1 A:HIS49 4.5 37.9 1.0 N A:GLY91 4.5 22.3 1.0 N A:CYS92 4.6 18.5 1.0 C A:SER56 4.6 39.4 1.0 SG A:CYS92 4.7 31.3 1.0 CG A:PRO262 4.7 13.5 1.0 O A:GLY55 4.7 45.9 1.0 O A:GLY91 4.9 24.4 1.0 CA A:SER56 4.9 37.8 1.0 CB A:CYS92 4.9 22.7 1.0

Iron binding site 2 out of 21 in the Crystal Structure of the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:31.8 occ:0.50 FE2 A:SF41248 0.0 31.8 0.5 S4 A:SF41248 2.3 20.8 0.5 S3 A:SF41248 2.3 28.3 0.5 SG A:CYS92 2.3 31.3 1.0 S1 A:SF41248 2.3 30.4 0.5 FE1 A:SF41248 2.7 20.4 0.5 FE4 A:SF41248 2.7 42.1 0.5 FE3 A:SF41248 2.7 30.9 0.5 CB A:CYS92 3.3 22.7 1.0 S2 A:SF41248 3.8 27.4 0.5 N A:GLY95 3.9 26.1 1.0 N A:CYS92 3.9 18.5 1.0 CA A:CYS92 4.1 23.8 1.0 CA A:GLY95 4.1 25.2 1.0 C A:GLY91 4.4 20.9 1.0 ND1 A:HIS49 4.5 37.9 1.0 C A:CYS92 4.6 22.6 1.0 O A:CYS92 4.6 23.0 1.0 SG A:CYS57 4.8 26.2 1.0 CB A:ARG94 4.9 27.0 1.0 CA A:GLY91 4.9 19.2 1.0 O A:GLY91 5.0 24.4 1.0 O A:HOH1584 5.0 47.3 1.0 C A:ARG94 5.0 30.1 1.0

Iron binding site 3 out of 21 in the Crystal Structure of the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:30.9 occ:0.50 FE3 A:SF41248 0.0 30.9 0.5 ND1 A:HIS49 2.0 37.9 1.0 S4 A:SF41248 2.3 20.8 0.5 S2 A:SF41248 2.3 27.4 0.5 S1 A:SF41248 2.3 30.4 0.5 FE2 A:SF41248 2.7 31.8 0.5 FE1 A:SF41248 2.7 20.4 0.5 FE4 A:SF41248 2.7 42.1 0.5 CE1 A:HIS49 2.9 37.4 1.0 CG A:HIS49 3.1 38.0 1.0 CB A:HIS49 3.6 31.3 1.0 CA A:GLY95 3.8 25.2 1.0 S3 A:SF41248 3.9 28.3 0.5 NE1 A:TRP59 3.9 28.5 1.0 NE2 A:HIS49 4.1 35.2 1.0 O A:HOH1584 4.1 47.3 1.0 CD2 A:HIS49 4.2 37.1 1.0 N A:GLY95 4.4 26.1 1.0 SG A:CYS92 4.7 31.3 1.0 SG A:CYS57 4.7 26.2 1.0 CE2 A:TRP59 4.7 24.4 1.0 CD1 A:TRP59 4.8 26.5 1.0 OH A:TYR1101 4.8 41.4 1.0 CA A:HIS49 4.8 29.4 1.0 N A:HIS49 4.8 26.7 1.0 CB A:CYS57 4.9 23.4 1.0 CZ2 A:TRP59 4.9 19.5 1.0

Iron binding site 4 out of 21 in the Crystal Structure of the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:42.1 occ:0.50 FE4 A:SF41248 0.0 42.1 0.5 S3 A:SF41248 2.3 28.3 0.5 S2 A:SF41248 2.3 27.4 0.5 S1 A:SF41248 2.3 30.4 0.5 O A:HOH1633 2.7 52.2 1.0 FE2 A:SF41248 2.7 31.8 0.5 FE1 A:SF41248 2.7 20.4 0.5 FE3 A:SF41248 2.7 30.9 0.5 O A:HOH1584 3.3 47.3 1.0 S4 A:SF41248 3.9 20.8 0.5 CA A:GLY55 4.0 46.5 1.0 N A:SER56 4.2 43.3 1.0 N A:GLY55 4.2 50.5 1.0 ND1 A:HIS49 4.5 37.9 1.0 C A:GLY55 4.5 46.4 1.0 SG A:CYS92 4.7 31.3 1.0 SG A:CYS57 4.8 26.2 1.0 CB A:HIS49 4.8 31.3 1.0

Iron binding site 5 out of 21 in the Crystal Structure of the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:21.9 occ:1.00 FE1 B:SF4802 0.0 21.9 1.0 S4 B:SF4802 2.3 27.1 1.0 S3 B:SF4802 2.3 30.4 1.0 S2 B:SF4802 2.3 29.0 1.0 SG B:CYS263 2.3 17.3 1.0 FE2 B:SF4802 2.7 30.6 1.0 FE4 B:SF4802 2.8 26.9 1.0 FE3 B:SF4802 2.8 29.4 1.0 CB B:CYS263 3.5 15.3 1.0 CA B:CYS263 3.8 14.8 1.0 S1 B:SF4802 3.9 25.4 1.0 N B:GLY265 4.0 21.4 1.0 C B:CYS263 4.2 19.4 1.0 N B:VAL264 4.2 14.6 1.0 CG1 B:ILE267 4.4 13.0 1.0 CG2 B:ILE267 4.4 12.2 1.0 CD1 B:ILE267 4.5 20.1 1.0 CA B:GLY265 4.5 19.5 1.0 NE B:ARG268 4.6 23.1 1.0 SG B:CYS22 4.7 26.5 1.0 SG B:CYS19 4.8 27.7 1.0 O B:CYS263 4.9 13.9 1.0 NH2 B:ARG268 5.0 19.6 1.0 SG B:CYS16 5.0 28.0 1.0

Iron binding site 6 out of 21 in the Crystal Structure of the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:30.6 occ:1.00 FE2 B:SF4802 0.0 30.6 1.0 S3 B:SF4802 2.3 30.4 1.0 S1 B:SF4802 2.3 25.4 1.0 S4 B:SF4802 2.3 27.1 1.0 SG B:CYS22 2.3 26.5 1.0 FE1 B:SF4802 2.7 21.9 1.0 FE3 B:SF4802 2.7 29.4 1.0 FE4 B:SF4802 2.8 26.9 1.0 CB B:CYS22 3.3 17.2 1.0 NH2 B:ARG268 3.7 19.6 1.0 S2 B:SF4802 3.9 29.0 1.0 N B:CYS22 4.1 18.7 1.0 CA B:CYS22 4.3 23.6 1.0 CG2 B:VAL44 4.3 17.5 1.0 N B:HIS20 4.4 25.3 1.0 CZ B:ARG268 4.6 25.2 1.0 N B:THR21 4.6 17.9 1.0 CA B:HIS20 4.7 26.4 1.0 CB B:PRO181 4.7 19.3 1.0 NE B:ARG268 4.7 23.1 1.0 SG B:CYS19 4.7 27.7 1.0 SG B:CYS263 4.7 17.3 1.0 C B:HIS20 4.8 25.1 1.0 SG B:CYS16 4.9 28.0 1.0

Iron binding site 7 out of 21 in the Crystal Structure of the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:29.4 occ:1.00 FE3 B:SF4802 0.0 29.4 1.0 S4 B:SF4802 2.3 27.1 1.0 S2 B:SF4802 2.3 29.0 1.0 S1 B:SF4802 2.3 25.4 1.0 SG B:CYS19 2.3 27.7 1.0 FE2 B:SF4802 2.7 30.6 1.0 FE1 B:SF4802 2.8 21.9 1.0 FE4 B:SF4802 2.8 26.9 1.0 N B:CYS19 3.6 26.4 1.0 CB B:CYS19 3.7 25.6 1.0 N B:HIS20 3.9 25.3 1.0 S3 B:SF4802 3.9 30.4 1.0 CA B:CYS19 4.0 25.9 1.0 CG1 B:ILE17 4.2 40.0 1.0 C B:CYS19 4.3 27.6 1.0 N B:THR21 4.4 17.9 1.0 N B:GLY265 4.6 21.4 1.0 N B:GLY18 4.7 35.7 1.0 C B:GLY18 4.7 30.1 1.0 SG B:CYS22 4.7 26.5 1.0 CD1 B:ILE17 4.8 42.0 1.0 N B:VAL264 4.8 14.6 1.0 SG B:CYS16 4.8 28.0 1.0 CA B:HIS20 4.8 26.4 1.0 SG B:CYS263 4.9 17.3 1.0 CB B:VAL264 4.9 24.9 1.0 CA B:GLY18 5.0 24.7 1.0 OG1 B:THR21 5.0 22.1 1.0

Iron binding site 8 out of 21 in the Crystal Structure of the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:26.9 occ:1.00 FE4 B:SF4802 0.0 26.9 1.0 S3 B:SF4802 2.3 30.4 1.0 S1 B:SF4802 2.3 25.4 1.0 S2 B:SF4802 2.3 29.0 1.0 SG B:CYS16 2.3 28.0 1.0 FE1 B:SF4802 2.8 21.9 1.0 FE3 B:SF4802 2.8 29.4 1.0 FE2 B:SF4802 2.8 30.6 1.0 CB B:CYS16 3.6 25.8 1.0 S4 B:SF4802 3.9 27.1 1.0 CA B:CYS16 4.0 23.7 1.0 CD1 B:ILE267 4.1 20.1 1.0 N B:GLY18 4.1 35.7 1.0 N B:ILE17 4.2 27.6 1.0 C B:CYS16 4.5 24.0 1.0 CA B:GLY18 4.6 24.7 1.0 CG B:PRO181 4.6 25.0 1.0 N B:CYS19 4.6 26.4 1.0 CB B:PRO181 4.8 19.3 1.0 SG B:CYS263 4.8 17.3 1.0 SG B:CYS22 4.9 26.5 1.0 CG1 B:ILE267 4.9 13.0 1.0 CG2 B:ILE267 5.0 12.2 1.0 SG B:CYS19 5.0 27.7 1.0

Iron binding site 9 out of 21 in the Crystal Structure of the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe803 b:20.5 occ:1.00 FE1 B:SF4803 0.0 20.5 1.0 S2 B:SF4803 2.2 16.2 1.0 S4 B:SF4803 2.3 15.9 1.0 SG B:CYS247 2.3 17.6 1.0 S3 B:SF4803 2.3 17.0 1.0 FE3 B:SF4803 2.6 16.9 1.0 FE2 B:SF4803 2.7 19.0 1.0 FE4 B:SF4803 2.7 16.6 1.0 N B:CYS247 3.4 17.4 1.0 CB B:CYS247 3.5 19.2 1.0 S1 B:SF4803 3.9 18.3 1.0 CA B:CYS247 3.9 13.6 1.0 NE1 B:TRP30 3.9 15.8 1.0 C B:PHE246 4.1 19.9 1.0 CB B:THR257 4.2 21.2 1.0 CA B:PHE246 4.3 19.7 1.0 CD1 B:TRP30 4.4 18.4 1.0 N B:VAL258 4.5 22.9 1.0 N B:PHE246 4.5 14.7 1.0 SG B:CYS259 4.6 18.9 1.0 CD1 B:ILE245 4.6 38.7 1.0 CG2 B:THR257 4.8 9.9 1.0 SG B:CYS244 4.8 17.8 1.0 SG B:CYS26 4.8 18.4 1.0 OG1 B:THR257 4.8 21.2 1.0 N B:CYS259 4.9 19.6 1.0 CB B:VAL258 4.9 18.7 1.0 O B:PHE246 4.9 21.9 1.0 CE2 B:TRP30 5.0 19.0 1.0

Iron binding site 10 out of 21 in the Crystal Structure of the Apomolybdo-Narghi


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 the Apomolybdo-Narghi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe803 b:19.0 occ:1.00 FE2 B:SF4803 0.0 19.0 1.0 S1 B:SF4803 2.3 18.3 1.0 S4 B:SF4803 2.3 15.9 1.0 S3 B:SF4803 2.3 17.0 1.0 SG B:CYS244 2.3 17.8 1.0 FE4 B:SF4803 2.7 16.6 1.0 FE3 B:SF4803 2.7 16.9 1.0 FE1 B:SF4803 2.7 20.5 1.0 CB B:CYS244 3.3 15.9 1.0 N B:PHE246 3.8 14.7 1.0 S2 B:SF4803 3.8 16.2 1.0 CA B:CYS244 3.9 18.6 1.0 CA B:PHE246 4.0 19.7 1.0 N B:ILE245 4.1 16.9 1.0 C B:CYS244 4.3 17.1 1.0 CD1 B:LEU183 4.3 9.6 1.0 N B:CYS247 4.5 17.4 1.0 C B:PHE246 4.7 19.9 1.0 CB B:PHE41 4.7 15.9 1.0 CB B:LEU183 4.7 18.1 1.0 SG B:CYS259 4.8 18.9 1.0 C B:ILE245 4.8 17.3 1.0 SG B:CYS26 4.8 18.4 1.0 SG B:CYS247 4.9 17.6 1.0

R.A.Rothery, M.G.Bertero, R.Cammack, M.Palak, F.Blasco, N.C.Strynadka, J.H.Weiner. The Catalytic Subunit of Escherichia Coli Nitrate Reductase A Contains A Novel [4FE-4S] Cluster with A High-Spin Ground State Biochemistry V. 43 5324 2004.
ISSN: ISSN 0006-2960
PubMed: 15122898
DOI: 10.1021/BI049938L