Iron in PDB 4g9p: Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus

All present enzymatic activity of Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus:
1.17.7.1;

The structure of Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus, PDB code: 4g9p was solved by I.Rekittke, H.Jomaa, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.78 / 1.55
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.650, 63.650, 442.270, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 20.3

The structure of Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus also contains other interesting chemical elements:

Potassium	(K)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Iron atom in the Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus (pdb code 4g9p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus, PDB code: 4g9p:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.8 occ:1.00 FE1 A:SF4501 0.0 13.8 1.0 S3 A:SF4501 2.2 14.2 1.0 S2 A:SF4501 2.3 12.2 1.0 S4 A:SF4501 2.3 13.7 1.0 SG A:CYS300 2.3 14.4 1.0 FE2 A:SF4501 2.6 13.6 1.0 FE4 A:SF4501 2.7 13.9 1.0 FE3 A:SF4501 2.8 13.4 1.0 HB3 A:CYS300 3.2 17.7 1.0 H A:CYS300 3.2 15.6 1.0 CB A:CYS300 3.3 14.7 1.0 HB2 A:ARG302 3.4 16.6 1.0 N A:CYS300 3.5 13.0 1.0 HD3 A:ARG302 3.8 21.7 1.0 S1 A:SF4501 3.9 13.7 1.0 CA A:CYS300 4.0 15.3 1.0 HA2 A:GLY299 4.0 17.1 1.0 HB2 A:CYS300 4.1 17.7 1.0 C A:GLY299 4.1 13.4 1.0 H A:ARG302 4.1 18.4 1.0 CB A:ARG302 4.4 13.9 1.0 HG3 A:ARG302 4.4 24.0 1.0 SG A:CYS343 4.5 15.2 1.0 CA A:GLY299 4.5 14.2 1.0 H A:GLY299 4.6 16.2 1.0 C A:CYS300 4.6 17.2 1.0 CD A:ARG302 4.6 18.1 1.0 CG A:ARG302 4.7 20.0 1.0 HA A:CYS300 4.8 18.4 1.0 O A:GLY299 4.8 16.8 1.0 HB3 A:CYS343 4.9 14.4 1.0 HB3 A:ARG302 4.9 16.6 1.0 N A:ARG302 4.9 15.3 1.0 SG A:CYS297 5.0 12.3 1.0 N A:GLY299 5.0 13.5 1.0

Iron binding site 2 out of 4 in the Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.6 occ:1.00 FE2 A:SF4501 0.0 13.6 1.0 S1 A:SF4501 2.2 13.7 1.0 S3 A:SF4501 2.2 14.2 1.0 S4 A:SF4501 2.3 13.7 1.0 SG A:CYS343 2.3 15.2 1.0 FE1 A:SF4501 2.6 13.8 1.0 FE3 A:SF4501 2.7 13.4 1.0 FE4 A:SF4501 2.7 13.9 1.0 HB3 A:CYS343 3.2 14.4 1.0 CB A:CYS343 3.3 12.0 1.0 HB A:VAL345 3.3 15.9 1.0 H A:CYS343 3.5 15.0 1.0 N A:CYS343 3.7 12.5 1.0 HD3 A:ARG302 3.7 21.7 1.0 HB2 A:ARG302 3.7 16.6 1.0 S2 A:SF4501 3.8 12.2 1.0 CA A:CYS343 3.9 16.1 1.0 H A:VAL345 4.0 17.7 1.0 H A:ASN346 4.1 15.8 1.0 HB2 A:CYS343 4.2 14.4 1.0 C A:CYS343 4.3 16.1 1.0 CB A:VAL345 4.3 13.2 1.0 HE A:ARG302 4.3 21.4 1.0 HG23 A:VAL345 4.3 21.0 1.0 C A:GLY342 4.3 13.1 1.0 O A:CYS343 4.3 14.3 1.0 HA3 A:GLY342 4.4 16.4 1.0 HG21 A:VAL345 4.5 21.0 1.0 HB3 A:ARG302 4.5 16.6 1.0 CB A:ARG302 4.5 13.9 1.0 CD A:ARG302 4.6 18.1 1.0 SG A:CYS300 4.6 14.4 1.0 CG2 A:VAL345 4.6 17.5 1.0 H A:GLY342 4.7 16.7 1.0 N A:VAL345 4.7 14.7 1.0 NE A:ARG302 4.8 17.8 1.0 CA A:GLY342 4.8 13.7 1.0 HA A:CYS343 4.8 19.3 1.0 SG A:CYS297 4.9 12.3 1.0 HB A:THR303 4.9 24.1 1.0 N A:ASN346 4.9 13.1 1.0 O A:GLY342 5.0 17.5 1.0

Iron binding site 3 out of 4 in the Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.4 occ:1.00 FE3 A:SF4501 0.0 13.4 1.0 S4 A:SF4501 2.2 13.7 1.0 S2 A:SF4501 2.2 12.2 1.0 S1 A:SF4501 2.3 13.7 1.0 SG A:CYS297 2.3 12.3 1.0 FE4 A:SF4501 2.7 13.9 1.0 FE2 A:SF4501 2.7 13.6 1.0 FE1 A:SF4501 2.8 13.8 1.0 HB2 A:CYS297 2.9 16.6 1.0 CB A:CYS297 3.2 13.8 1.0 HA2 A:GLY299 3.3 17.1 1.0 H A:GLY299 3.3 16.2 1.0 H A:GLY342 3.3 16.7 1.0 HA3 A:GLY342 3.3 16.4 1.0 HB3 A:CYS297 3.5 16.6 1.0 S3 A:SF4501 3.9 14.2 1.0 N A:GLY299 4.0 13.5 1.0 H A:CYS343 4.0 15.0 1.0 CA A:GLY299 4.0 14.2 1.0 N A:GLY342 4.0 13.9 1.0 CA A:GLY342 4.0 13.7 1.0 HD2 A:PRO298 4.2 14.9 1.0 H A:CYS300 4.2 15.6 1.0 N A:CYS343 4.4 12.5 1.0 HE3 A:MET341 4.4 13.8 1.0 C A:GLY342 4.5 13.1 1.0 C A:GLY299 4.6 13.4 1.0 CA A:CYS297 4.6 12.6 1.0 N A:CYS300 4.6 13.0 1.0 HA3 A:GLY299 4.8 17.1 1.0 HA2 A:GLY342 4.8 16.4 1.0 HB3 A:CYS343 4.9 14.4 1.0 SG A:CYS343 4.9 15.2 1.0 C A:CYS297 4.9 11.3 1.0 N A:PRO298 4.9 11.0 1.0 HG21 A:THR303 4.9 19.3 1.0 CD A:PRO298 5.0 12.4 1.0 HE1 A:MET341 5.0 13.8 1.0

Iron binding site 4 out of 4 in the Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Gcpe-Mecpp (Ispg) Complex From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.9 occ:1.00 FE4 A:SF4501 0.0 13.9 1.0 S1 A:SF4501 2.3 13.7 1.0 S3 A:SF4501 2.3 14.2 1.0 S2 A:SF4501 2.3 12.2 1.0 FE3 A:SF4501 2.7 13.4 1.0 FE2 A:SF4501 2.7 13.6 1.0 FE1 A:SF4501 2.7 13.8 1.0 HD21 A:ASN346 3.3 17.1 1.0 HB2 A:CYS297 3.7 16.6 1.0 S4 A:SF4501 3.8 13.7 1.0 HB2 A:ASN346 4.0 14.1 1.0 HB A:VAL345 4.1 15.9 1.0 ND2 A:ASN346 4.1 14.2 1.0 HD2 A:PRO298 4.4 14.9 1.0 CB A:CYS297 4.4 13.8 1.0 H A:ASN346 4.5 15.8 1.0 HB3 A:CYS297 4.5 16.6 1.0 HD22 A:ASN346 4.5 17.1 1.0 SG A:CYS297 4.6 12.3 1.0 HG11 A:VAL345 4.6 18.1 1.0 SG A:CYS300 4.8 14.4 1.0 HG12 A:VAL345 4.8 18.1 1.0 SG A:CYS343 4.8 15.2 1.0 CB A:ASN346 4.9 11.7 1.0 CB A:VAL345 4.9 13.2 1.0 HE3 A:MET341 5.0 13.8 1.0

I.Rekittke, H.Jomaa, U.Ermler. Structure of the Gcpe (Ispg)-Mecpp Complex From Thermus Thermophilus. Febs Lett. V. 586 3452 2012.
ISSN: ISSN 0014-5793
PubMed: 22967895
DOI: 10.1016/J.FEBSLET.2012.07.070