Iron in PDB 1kg3: Crystal Structure of the Core Fragment of Muty From E.Coli at 1.55A Resolution

The structure of Crystal Structure of the Core Fragment of Muty From E.Coli at 1.55A Resolution, PDB code: 1kg3 was solved by R.Gilboa, A.Kilshtein, D.O.Zharkov, J.H.Kycia, S.E.Gerchman, A.P.Grollman, G.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.450, 50.200, 70.500, 90.00, 123.29, 90.00
R / Rfree (%)	17 / 22.8

The binding sites of Iron atom in the Crystal Structure of the Core Fragment of Muty From E.Coli at 1.55A Resolution (pdb code 1kg3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of the Core Fragment of Muty From E.Coli at 1.55A Resolution, PDB code: 1kg3:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the Core Fragment of Muty From E.Coli at 1.55A Resolution


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 Core Fragment of Muty From E.Coli at 1.55A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:14.8 occ:1.00 FE1 A:SF4300 0.0 14.8 1.0 SG A:CYS202 2.3 16.4 1.0 S4 A:SF4300 2.3 16.0 1.0 S3 A:SF4300 2.3 16.8 1.0 S2 A:SF4300 2.3 16.8 1.0 FE2 A:SF4300 2.7 15.8 1.0 FE4 A:SF4300 2.7 15.0 1.0 FE3 A:SF4300 2.8 16.3 1.0 CB A:CYS202 3.1 14.4 1.0 S1 A:SF4300 3.9 17.0 1.0 CB A:LEU204 4.5 17.1 1.0 CA A:CYS202 4.5 13.7 1.0 CB A:CYS192 4.6 15.5 1.0 SG A:CYS192 4.7 17.3 1.0 CA A:CYS199 4.8 13.4 1.0 SG A:CYS199 4.9 18.6 1.0 SG A:CYS208 4.9 15.8 1.0 CD1 A:LEU204 4.9 18.0 1.0 N A:GLN205 5.0 16.6 1.0 C A:LEU204 5.0 16.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the Core Fragment of Muty From E.Coli at 1.55A Resolution


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 Core Fragment of Muty From E.Coli at 1.55A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:15.8 occ:1.00 FE2 A:SF4300 0.0 15.8 1.0 S4 A:SF4300 2.3 16.0 1.0 S3 A:SF4300 2.3 16.8 1.0 S1 A:SF4300 2.3 17.0 1.0 SG A:CYS192 2.3 17.3 1.0 FE1 A:SF4300 2.7 14.8 1.0 FE4 A:SF4300 2.7 15.0 1.0 FE3 A:SF4300 2.8 16.3 1.0 CB A:CYS192 3.2 15.5 1.0 S2 A:SF4300 3.9 16.8 1.0 CA A:CYS192 4.0 14.0 1.0 CD A:ARG147 4.2 18.9 1.0 CB A:ARG147 4.5 15.9 1.0 CB A:PRO197 4.6 17.5 1.0 NH1 A:ARG147 4.7 19.6 1.0 SG A:CYS202 4.7 16.4 1.0 SG A:CYS208 4.9 15.8 1.0 SG A:CYS199 4.9 18.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the Core Fragment of Muty From E.Coli at 1.55A Resolution


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 Core Fragment of Muty From E.Coli at 1.55A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:16.3 occ:1.00 FE3 A:SF4300 0.0 16.3 1.0 S4 A:SF4300 2.2 16.0 1.0 S1 A:SF4300 2.3 17.0 1.0 S2 A:SF4300 2.3 16.8 1.0 SG A:CYS199 2.3 18.6 1.0 FE4 A:SF4300 2.8 15.0 1.0 FE2 A:SF4300 2.8 15.8 1.0 FE1 A:SF4300 2.8 14.8 1.0 CB A:CYS199 3.3 19.0 1.0 CA A:CYS199 3.6 13.4 1.0 S3 A:SF4300 3.9 16.8 1.0 N A:CYS199 4.2 14.6 1.0 CB A:PRO197 4.4 17.5 1.0 CG A:PRO197 4.6 19.6 1.0 CB A:CYS202 4.6 14.4 1.0 CB A:ALA211 4.6 21.2 1.0 SG A:CYS208 4.7 15.8 1.0 SG A:CYS202 4.8 16.4 1.0 SG A:CYS192 4.9 17.3 1.0 C A:CYS199 4.9 15.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the Core Fragment of Muty From E.Coli at 1.55A Resolution


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 Core Fragment of Muty From E.Coli at 1.55A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:15.0 occ:1.00 FE4 A:SF4300 0.0 15.0 1.0 S3 A:SF4300 2.2 16.8 1.0 S1 A:SF4300 2.3 17.0 1.0 S2 A:SF4300 2.3 16.8 1.0 SG A:CYS208 2.3 15.8 1.0 FE1 A:SF4300 2.7 14.8 1.0 FE2 A:SF4300 2.7 15.8 1.0 FE3 A:SF4300 2.8 16.3 1.0 CB A:CYS208 3.2 14.2 1.0 S4 A:SF4300 3.9 16.0 1.0 CB A:ALA211 4.5 21.2 1.0 CB A:ARG147 4.6 15.9 1.0 N A:ALA211 4.6 15.8 1.0 CA A:CYS208 4.7 15.6 1.0 SG A:CYS199 4.7 18.6 1.0 N A:CYS148 4.8 14.0 1.0 SG A:CYS202 4.8 16.4 1.0 SG A:CYS192 4.9 17.3 1.0 CA A:CYS148 4.9 16.1 1.0 C A:ARG147 5.0 13.0 1.0 CB A:ALA210 5.0 17.5 1.0

R.Gilboa, A.Kilshtein, D.O.Zharkov, J.H.Kycia, S.E.Gerchman, A.P.Grollman, G.Shoham. Analysis of the E.Coli Muty Dna Glycosylase Structure and Function By Site-Directed Mutagenesis To Be Published.