Iron in PDB 1kg4: Crystal Structure of the K142A Mutant of E. Coli Muty (Core Fragment)

The structure of Crystal Structure of the K142A Mutant of E. Coli Muty (Core Fragment), PDB code: 1kg4 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)	20.00 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.030, 50.060, 69.880, 90.00, 122.60, 90.00
R / Rfree (%)	15.1 / 19.7

The binding sites of Iron atom in the Crystal Structure of the K142A Mutant of E. Coli Muty (Core Fragment) (pdb code 1kg4). 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 K142A Mutant of E. Coli Muty (Core Fragment), PDB code: 1kg4:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the K142A Mutant of E. Coli Muty (Core Fragment)


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 K142A Mutant of E. Coli Muty (Core Fragment) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:7.2 occ:1.00 FE1 A:SF4300 0.0 7.2 1.0 S2 A:SF4300 2.3 8.2 1.0 S3 A:SF4300 2.3 7.8 1.0 S4 A:SF4300 2.3 8.0 1.0 SG A:CYS202 2.3 8.5 1.0 FE2 A:SF4300 2.7 7.6 1.0 FE4 A:SF4300 2.7 7.5 1.0 FE3 A:SF4300 2.8 8.0 1.0 CB A:CYS202 3.1 7.5 1.0 S1 A:SF4300 3.9 8.4 1.0 CB A:LEU204 4.4 8.6 1.0 CA A:CYS202 4.6 6.5 1.0 SG A:CYS192 4.7 8.9 1.0 CB A:CYS192 4.7 6.8 1.0 CA A:CYS199 4.8 6.1 1.0 N A:GLN205 4.8 8.3 1.0 SG A:CYS199 4.9 9.7 1.0 SG A:CYS208 4.9 8.3 1.0 C A:LEU204 4.9 7.4 1.0 CD1 A:LEU204 5.0 13.8 1.0 N A:LEU204 5.0 8.3 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the K142A Mutant of E. Coli Muty (Core Fragment)


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 K142A Mutant of E. Coli Muty (Core Fragment) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:7.6 occ:1.00 FE2 A:SF4300 0.0 7.6 1.0 S1 A:SF4300 2.3 8.4 1.0 S4 A:SF4300 2.3 8.0 1.0 SG A:CYS192 2.3 8.9 1.0 S3 A:SF4300 2.3 7.8 1.0 FE1 A:SF4300 2.7 7.2 1.0 FE4 A:SF4300 2.7 7.5 1.0 FE3 A:SF4300 2.8 8.0 1.0 CB A:CYS192 3.2 6.8 1.0 S2 A:SF4300 3.9 8.2 1.0 CA A:CYS192 4.0 6.1 1.0 CD A:ARG147 4.2 10.8 1.0 CB A:ARG147 4.4 5.8 1.0 CB A:PRO197 4.5 11.4 1.0 SG A:CYS202 4.7 8.5 1.0 NH1 A:ARG147 4.8 10.2 1.0 SG A:CYS199 4.9 9.7 1.0 SG A:CYS208 4.9 8.3 1.0 CG A:ARG147 4.9 7.4 1.0 CG A:PRO197 5.0 7.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the K142A Mutant of E. Coli Muty (Core Fragment)


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 K142A Mutant of E. Coli Muty (Core Fragment) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:8.0 occ:1.00 FE3 A:SF4300 0.0 8.0 1.0 SG A:CYS199 2.3 9.7 1.0 S4 A:SF4300 2.3 8.0 1.0 S2 A:SF4300 2.3 8.2 1.0 S1 A:SF4300 2.3 8.4 1.0 FE4 A:SF4300 2.7 7.5 1.0 FE1 A:SF4300 2.8 7.2 1.0 FE2 A:SF4300 2.8 7.6 1.0 CB A:CYS199 3.2 9.1 1.0 CA A:CYS199 3.6 6.1 1.0 S3 A:SF4300 3.9 7.8 1.0 N A:CYS199 4.2 8.8 1.0 CB A:PRO197 4.3 11.4 1.0 CB A:ALA211 4.5 7.2 1.0 CG A:PRO197 4.5 7.9 1.0 CB A:CYS202 4.7 7.5 1.0 SG A:CYS208 4.7 8.3 1.0 SG A:CYS202 4.8 8.5 1.0 SG A:CYS192 4.9 8.9 1.0 C A:CYS199 4.9 7.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the K142A Mutant of E. Coli Muty (Core Fragment)


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 K142A Mutant of E. Coli Muty (Core Fragment) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:7.5 occ:1.00 FE4 A:SF4300 0.0 7.5 1.0 S3 A:SF4300 2.3 7.8 1.0 S1 A:SF4300 2.3 8.4 1.0 S2 A:SF4300 2.3 8.2 1.0 SG A:CYS208 2.3 8.3 1.0 FE3 A:SF4300 2.7 8.0 1.0 FE1 A:SF4300 2.7 7.2 1.0 FE2 A:SF4300 2.7 7.6 1.0 CB A:CYS208 3.2 7.5 1.0 S4 A:SF4300 3.9 8.0 1.0 CB A:ALA211 4.4 7.2 1.0 CB A:ARG147 4.5 5.8 1.0 N A:ALA211 4.6 8.0 1.0 SG A:CYS199 4.7 9.7 1.0 CA A:CYS208 4.7 8.8 1.0 N A:CYS148 4.7 5.8 1.0 SG A:CYS202 4.9 8.5 1.0 CA A:CYS148 4.9 5.1 1.0 C A:ARG147 4.9 7.6 1.0 SG A:CYS192 4.9 8.9 1.0 CB A:ALA210 5.0 7.4 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.