Iron in PDB 3egw: The Crystal Structure of the Narghi Mutant Narh - C16A

All present enzymatic activity of The Crystal Structure of the Narghi Mutant Narh - C16A:
1.7.99.4;

The structure of The Crystal Structure of the Narghi Mutant Narh - C16A, PDB code: 3egw 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)	19.99 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	153.995, 241.684, 139.475, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.6

The structure of The Crystal Structure of the Narghi Mutant Narh - C16A also contains other interesting chemical elements:

Molybdenum

(Mo)

1 atom

Pages:

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

Binding sites:

The binding sites of Iron atom in the The Crystal Structure of the Narghi Mutant Narh - C16A (pdb code 3egw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the The Crystal Structure of the Narghi Mutant Narh - C16A, PDB code: 3egw:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:12.7 occ:1.00 FE1 A:SF41248 0.0 12.7 1.0 S3 A:SF41248 2.3 13.5 1.0 S2 A:SF41248 2.3 14.2 1.0 S4 A:SF41248 2.3 12.2 1.0 SG A:CYS57 2.3 13.4 1.0 FE4 A:SF41248 2.7 13.2 1.0 FE3 A:SF41248 2.7 13.3 1.0 FE2 A:SF41248 2.7 13.3 1.0 CB A:CYS57 3.3 12.8 1.0 S1 A:SF41248 3.9 13.7 1.0 CA A:GLY55 3.9 12.5 1.0 N A:CYS57 4.0 11.2 1.0 CA A:GLY91 4.1 11.4 1.0 C A:GLY55 4.2 12.0 1.0 CA A:CYS57 4.2 11.6 1.0 C A:GLY91 4.4 12.2 1.0 N A:GLY91 4.4 11.4 1.0 NE1 A:TRP59 4.4 11.2 1.0 N A:SER56 4.4 12.1 1.0 ND1 A:HIS49 4.5 13.5 1.0 SG A:CYS53 4.6 13.2 1.0 N A:CYS92 4.7 12.1 1.0 CG A:PRO262 4.7 11.7 1.0 SG A:CYS92 4.8 12.2 1.0 O A:GLY91 4.8 13.3 1.0 O A:GLY55 4.8 12.8 1.0 N A:GLY55 4.9 12.7 1.0 CB A:PRO262 5.0 10.8 1.0

Iron binding site 2 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:13.3 occ:1.00 FE2 A:SF41248 0.0 13.3 1.0 S3 A:SF41248 2.3 13.5 1.0 S1 A:SF41248 2.3 13.7 1.0 SG A:CYS92 2.3 12.2 1.0 S4 A:SF41248 2.3 12.2 1.0 FE4 A:SF41248 2.7 13.2 1.0 FE1 A:SF41248 2.7 12.7 1.0 FE3 A:SF41248 2.7 13.3 1.0 CB A:CYS92 3.3 11.0 1.0 N A:GLY95 3.7 11.6 1.0 S2 A:SF41248 3.9 14.2 1.0 N A:CYS92 3.9 12.1 1.0 CA A:GLY95 4.0 11.1 1.0 O A:HOH1501 4.1 21.2 1.0 CA A:CYS92 4.1 10.9 1.0 C A:GLY91 4.4 12.2 1.0 ND1 A:HIS49 4.5 13.5 1.0 C A:CYS92 4.6 10.8 1.0 O A:CYS92 4.6 11.1 1.0 SG A:CYS53 4.7 13.2 1.0 CB A:ARG94 4.8 11.4 1.0 SG A:CYS57 4.8 13.4 1.0 O A:GLY91 4.8 13.3 1.0 CA A:GLY91 4.9 11.4 1.0 C A:ARG94 4.9 11.3 1.0

Iron binding site 3 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:13.3 occ:1.00 FE3 A:SF41248 0.0 13.3 1.0 ND1 A:HIS49 2.0 13.5 1.0 S2 A:SF41248 2.3 14.2 1.0 S4 A:SF41248 2.3 12.2 1.0 S1 A:SF41248 2.3 13.7 1.0 FE4 A:SF41248 2.7 13.2 1.0 FE1 A:SF41248 2.7 12.7 1.0 FE2 A:SF41248 2.7 13.3 1.0 CE1 A:HIS49 2.9 14.7 1.0 CG A:HIS49 3.1 14.2 1.0 CB A:HIS49 3.5 12.1 1.0 CA A:GLY95 3.7 11.1 1.0 S3 A:SF41248 3.9 13.5 1.0 NE1 A:TRP59 4.0 11.2 1.0 NE2 A:HIS49 4.0 15.3 1.0 CD2 A:HIS49 4.1 14.4 1.0 OH A:TYR1101 4.1 11.6 1.0 N A:GLY95 4.4 11.6 1.0 SG A:CYS53 4.7 13.2 1.0 SG A:CYS57 4.7 13.4 1.0 SG A:CYS92 4.8 12.2 1.0 CA A:HIS49 4.8 13.4 1.0 CD1 A:TRP59 4.8 12.1 1.0 CG1 A:VAL51 4.8 14.0 1.0 CE2 A:TRP59 4.8 11.1 1.0 CB A:CYS57 4.9 12.8 1.0 N A:HIS49 4.9 13.9 1.0 C A:GLY95 4.9 10.6 1.0

Iron binding site 4 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1248 b:13.2 occ:1.00 FE4 A:SF41248 0.0 13.2 1.0 S3 A:SF41248 2.3 13.5 1.0 SG A:CYS53 2.3 13.2 1.0 S2 A:SF41248 2.3 14.2 1.0 S1 A:SF41248 2.3 13.7 1.0 FE1 A:SF41248 2.7 12.7 1.0 FE2 A:SF41248 2.7 13.3 1.0 FE3 A:SF41248 2.7 13.3 1.0 CB A:CYS53 3.3 12.9 1.0 S4 A:SF41248 3.8 12.2 1.0 CG1 A:VAL51 4.0 14.0 1.0 CA A:GLY55 4.0 12.5 1.0 N A:GLY55 4.2 12.7 1.0 O A:HOH1315 4.4 16.5 1.0 ND1 A:HIS49 4.5 13.5 1.0 N A:SER56 4.6 12.1 1.0 SG A:CYS57 4.7 13.4 1.0 CA A:CYS53 4.7 14.7 1.0 SG A:CYS92 4.7 12.2 1.0 C A:GLY55 4.7 12.0 1.0 CB A:HIS49 4.8 12.1 1.0 O A:HOH1501 5.0 21.2 1.0

Iron binding site 5 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:13.4 occ:1.00 FE1 B:F3S802 0.0 13.4 1.0 S3 B:F3S802 2.3 12.6 1.0 S2 B:F3S802 2.3 14.8 1.0 S1 B:F3S802 2.3 14.2 1.0 SG B:CYS263 2.3 12.6 1.0 FE4 B:F3S802 2.7 13.9 1.0 FE3 B:F3S802 2.7 13.8 1.0 CB B:CYS263 3.4 12.1 1.0 CA B:CYS263 3.7 11.0 1.0 S4 B:F3S802 3.9 14.4 1.0 N B:GLY265 4.1 10.5 1.0 N B:VAL264 4.1 10.7 1.0 C B:CYS263 4.1 11.5 1.0 CG1 B:ILE267 4.3 11.3 1.0 CD1 B:ILE267 4.4 10.1 1.0 O B:HOH890 4.5 17.6 1.0 NE B:ARG268 4.6 14.6 1.0 CA B:GLY265 4.7 10.3 1.0 CG2 B:ILE267 4.7 10.4 1.0 SG B:CYS22 4.7 12.4 1.0 SG B:CYS19 4.8 14.1 1.0 O B:CYS263 4.9 9.1 1.0 CB B:CYS22 5.0 11.7 1.0

Iron binding site 6 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:13.8 occ:1.00 FE3 B:F3S802 0.0 13.8 1.0 S4 B:F3S802 2.3 14.4 1.0 S3 B:F3S802 2.3 12.6 1.0 S1 B:F3S802 2.3 14.2 1.0 SG B:CYS19 2.3 14.1 1.0 FE4 B:F3S802 2.7 13.9 1.0 FE1 B:F3S802 2.7 13.4 1.0 N B:CYS19 3.6 13.1 1.0 CB B:CYS19 3.7 13.1 1.0 N B:HIS20 3.9 11.8 1.0 S2 B:F3S802 3.9 14.8 1.0 O B:HOH890 4.0 17.6 1.0 CA B:CYS19 4.0 13.4 1.0 CG1 B:ILE17 4.1 14.7 1.0 C B:CYS19 4.3 12.6 1.0 N B:THR21 4.4 10.2 1.0 N B:GLY18 4.6 15.0 1.0 N B:GLY265 4.6 10.5 1.0 C B:GLY18 4.6 15.0 1.0 SG B:CYS22 4.7 12.4 1.0 CD1 B:ILE17 4.7 15.6 1.0 N B:VAL264 4.7 10.7 1.0 CA B:GLY18 4.8 14.6 1.0 SG B:CYS263 4.8 12.6 1.0 CA B:HIS20 4.8 11.6 1.0 CB B:THR21 4.9 10.4 1.0 CB B:VAL264 4.9 11.2 1.0 OG1 B:THR21 4.9 11.6 1.0

Iron binding site 7 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe802 b:13.9 occ:1.00 FE4 B:F3S802 0.0 13.9 1.0 S3 B:F3S802 2.3 12.6 1.0 S2 B:F3S802 2.3 14.8 1.0 S4 B:F3S802 2.3 14.4 1.0 SG B:CYS22 2.3 12.4 1.0 FE3 B:F3S802 2.7 13.8 1.0 FE1 B:F3S802 2.7 13.4 1.0 CB B:CYS22 3.3 11.7 1.0 S1 B:F3S802 3.9 14.2 1.0 NH2 B:ARG268 3.9 13.4 1.0 N B:CYS22 4.0 11.1 1.0 CA B:CYS22 4.3 11.6 1.0 O B:HOH890 4.3 17.6 1.0 CG2 B:VAL44 4.3 9.9 1.0 N B:HIS20 4.4 11.8 1.0 CB B:PRO181 4.5 15.3 1.0 N B:THR21 4.5 10.2 1.0 SG B:CYS19 4.6 14.1 1.0 CA B:HIS20 4.7 11.6 1.0 NE B:ARG268 4.7 14.6 1.0 CZ B:ARG268 4.7 13.6 1.0 SG B:CYS263 4.7 12.6 1.0 C B:HIS20 4.8 12.2 1.0

Iron binding site 8 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe803 b:11.7 occ:1.00 FE1 B:SF4803 0.0 11.7 1.0 S2 B:SF4803 2.3 10.2 1.0 S4 B:SF4803 2.3 9.4 1.0 S3 B:SF4803 2.3 10.1 1.0 SG B:CYS247 2.3 11.3 1.0 FE3 B:SF4803 2.6 11.2 1.0 FE2 B:SF4803 2.7 11.0 1.0 FE4 B:SF4803 2.7 10.9 1.0 N B:CYS247 3.4 10.0 1.0 CB B:CYS247 3.5 10.0 1.0 S1 B:SF4803 3.9 10.8 1.0 CA B:CYS247 3.9 10.6 1.0 NE1 B:TRP30 3.9 9.5 1.0 C B:PHE246 4.0 11.7 1.0 CB B:THR257 4.2 10.3 1.0 CA B:PHE246 4.3 11.3 1.0 CD1 B:TRP30 4.4 7.9 1.0 N B:PHE246 4.4 10.1 1.0 N B:VAL258 4.4 10.2 1.0 SG B:CYS259 4.6 11.8 1.0 SG B:CYS244 4.8 10.9 1.0 SG B:CYS26 4.8 12.2 1.0 OG1 B:THR257 4.8 9.1 1.0 CB B:VAL258 4.9 9.3 1.0 N B:CYS259 4.9 10.9 1.0 O B:PHE246 4.9 12.0 1.0 CG2 B:THR257 4.9 8.0 1.0 CE2 B:TRP30 5.0 10.8 1.0

Iron binding site 9 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe803 b:11.0 occ:1.00 FE2 B:SF4803 0.0 11.0 1.0 S1 B:SF4803 2.3 10.8 1.0 S4 B:SF4803 2.3 9.4 1.0 S3 B:SF4803 2.3 10.1 1.0 SG B:CYS244 2.3 10.9 1.0 FE3 B:SF4803 2.7 11.2 1.0 FE4 B:SF4803 2.7 10.9 1.0 FE1 B:SF4803 2.7 11.7 1.0 CB B:CYS244 3.3 10.5 1.0 N B:PHE246 3.7 10.1 1.0 S2 B:SF4803 3.8 10.2 1.0 CA B:CYS244 3.8 9.8 1.0 CA B:PHE246 4.0 11.3 1.0 N B:ILE245 4.1 9.2 1.0 C B:CYS244 4.3 9.1 1.0 CD1 B:LEU183 4.3 12.9 1.0 N B:CYS247 4.5 10.0 1.0 CB B:LEU183 4.7 10.8 1.0 C B:PHE246 4.7 11.7 1.0 CB B:PHE41 4.8 9.8 1.0 SG B:CYS259 4.8 11.8 1.0 C B:ILE245 4.8 9.8 1.0 SG B:CYS26 4.8 12.2 1.0 SG B:CYS247 5.0 11.3 1.0

Iron binding site 10 out of 20 in the The Crystal Structure of the Narghi Mutant Narh - C16A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of The Crystal Structure of the Narghi Mutant Narh - C16A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe803 b:11.2 occ:1.00 FE3 B:SF4803 0.0 11.2 1.0 S2 B:SF4803 2.2 10.2 1.0 S1 B:SF4803 2.3 10.8 1.0 S4 B:SF4803 2.3 9.4 1.0 SG B:CYS259 2.3 11.8 1.0 FE1 B:SF4803 2.6 11.7 1.0 FE2 B:SF4803 2.7 11.0 1.0 FE4 B:SF4803 2.7 10.9 1.0 CB B:CYS259 3.3 11.7 1.0 S3 B:SF4803 3.8 10.1 1.0 N B:CYS259 4.0 10.9 1.0 OG1 B:THR257 4.2 9.1 1.0 CA B:CYS259 4.3 12.2 1.0 CD1 B:LEU183 4.4 12.9 1.0 CB B:THR257 4.4 10.3 1.0 SG B:CYS247 4.6 11.3 1.0 SG B:CYS26 4.7 12.2 1.0 CB B:ASN42 4.7 12.2 1.0 SG B:CYS244 4.7 10.9 1.0 OD1 B:ASN42 4.8 14.1 1.0 CB B:CYS26 4.9 10.7 1.0 NH1 B:ARG268 4.9 13.4 1.0 CB B:LEU183 5.0 10.8 1.0

A.Parkin, C.F.Blanford, R.A.Rothery, R.Macey, M.Bertero, N.C.J.Strynadka, F.A.Armstrong, J.H.Weiner. When Width Is More Important Than Height: Barriers to Electron Transfer in E.Coli Nitrate Reductase To Be Published.