Iron in PDB 4f2c: The Crystal Structure of A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues

The structure of The Crystal Structure of A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues, PDB code: 4f2c was solved by E.L.Baxter, J.A.Zuris, C.Wang, H.L.Axelrod, A.E.Cohen, M.L.Paddock, R.Nechushtai, J.N.Onuchic, P.A.Jennings, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.01 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.632, 51.995, 59.018, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 18.1

The binding sites of Iron atom in the The Crystal Structure of A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues (pdb code 4f2c). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The Crystal Structure of A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues, PDB code: 4f2c:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The Crystal Structure of A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues


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 A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:8.5 occ:1.00 FE1 A:FES201 0.0 8.5 1.0 S1 A:FES201 2.2 9.6 1.0 S2 A:FES201 2.2 9.0 1.0 SG A:CYS74 2.3 9.2 1.0 SG A:CYS72 2.3 8.3 1.0 FE2 A:FES201 2.7 9.2 1.0 CB A:CYS72 3.3 7.9 1.0 CB A:CYS74 3.4 8.9 1.0 N A:CYS74 3.5 8.0 1.0 CA A:CYS72 3.7 7.2 1.0 CA A:CYS74 3.9 8.9 1.0 N A:ARG73 3.9 7.9 1.0 CB A:HIS87 4.1 9.6 1.0 C A:CYS72 4.2 7.5 1.0 ND1 A:HIS87 4.2 9.1 1.0 N A:HIS87 4.3 9.1 1.0 N A:TRP75 4.3 7.8 1.0 N A:SER77 4.4 9.2 1.0 C A:CYS74 4.4 8.8 1.0 CB A:SER77 4.5 10.7 1.0 CA A:HIS87 4.6 9.5 1.0 SG A:CYS83 4.6 10.8 1.0 N A:ARG76 4.6 8.6 1.0 C A:ARG73 4.6 7.5 1.0 CG A:HIS87 4.7 8.9 1.0 CA A:CYS83 4.8 10.0 1.0 CB A:CYS83 4.8 9.9 1.0 CA A:SER77 4.9 10.2 1.0 CA A:ARG73 4.9 7.8 1.0

Iron binding site 2 out of 4 in the The Crystal Structure of A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues


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 A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.2 occ:1.00 FE2 A:FES201 0.0 9.2 1.0 ND1 A:HIS87 2.1 9.1 1.0 S1 A:FES201 2.2 9.6 1.0 S2 A:FES201 2.2 9.0 1.0 SG A:CYS83 2.3 10.8 1.0 FE1 A:FES201 2.7 8.5 1.0 CE1 A:HIS87 3.0 9.1 1.0 CG A:HIS87 3.2 8.9 1.0 CB A:CYS83 3.3 9.9 1.0 CB A:HIS87 3.6 9.6 1.0 CA A:CYS83 3.9 10.0 1.0 N A:HIS87 4.0 9.1 1.0 N A:GLY85 4.1 9.8 1.0 NE2 A:HIS87 4.1 10.1 1.0 CD2 A:HIS87 4.2 9.7 1.0 CB A:PRO100 4.3 9.2 1.0 N A:ASP84 4.3 10.3 1.0 CD A:PRO100 4.3 8.2 1.0 SG A:CYS74 4.4 9.2 1.0 CA A:HIS87 4.4 9.5 1.0 CA A:GLY85 4.4 9.9 1.0 N A:ALA86 4.5 9.8 1.0 C A:CYS83 4.5 11.2 1.0 CG A:PRO100 4.6 9.2 1.0 C A:GLY85 4.6 9.7 1.0 SG A:CYS72 4.6 8.3 1.0 CA A:CYS72 4.7 7.2 1.0 CB A:CYS72 4.8 7.9 1.0 N A:PRO100 4.8 8.0 1.0 CA A:PRO100 5.0 8.8 1.0

Iron binding site 3 out of 4 in the The Crystal Structure of A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues


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 A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:10.8 occ:1.00 FE1 B:FES201 0.0 10.8 1.0 S1 B:FES201 2.2 11.9 1.0 S2 B:FES201 2.2 10.6 1.0 SG B:CYS74 2.3 11.3 1.0 SG B:CYS72 2.3 10.2 1.0 FE2 B:FES201 2.7 11.5 1.0 CB B:CYS74 3.4 11.4 1.0 CB B:CYS72 3.4 9.9 1.0 N B:CYS74 3.5 9.0 1.0 CA B:CYS72 3.7 8.9 1.0 CA B:CYS74 3.9 10.0 1.0 N B:ARG73 3.9 8.8 1.0 CB B:HIS87 4.1 13.3 1.0 ND1 B:HIS87 4.2 12.2 1.0 C B:CYS72 4.2 9.1 1.0 N B:HIS87 4.3 12.8 1.0 N B:TRP75 4.4 9.2 1.0 C B:CYS74 4.4 9.5 1.0 CB B:SER77 4.5 14.2 1.0 N B:SER77 4.5 13.0 1.0 SG B:CYS83 4.6 13.1 1.0 CA B:HIS87 4.6 13.4 1.0 C B:ARG73 4.6 9.2 1.0 CG B:HIS87 4.7 13.0 1.0 N B:ARG76 4.7 10.8 1.0 CB B:CYS83 4.7 12.2 1.0 CA B:CYS83 4.7 12.5 1.0 CA B:ARG73 4.9 9.1 1.0 CA B:SER77 5.0 14.0 1.0

Iron binding site 4 out of 4 in the The Crystal Structure of A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues


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 A Human Mitoneet Double Mutant in Which Gly 66 Are Asp 67 Are Both Replaced with Ala Residues within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:11.5 occ:1.00 FE2 B:FES201 0.0 11.5 1.0 ND1 B:HIS87 2.1 12.2 1.0 S1 B:FES201 2.2 11.9 1.0 S2 B:FES201 2.2 10.6 1.0 SG B:CYS83 2.3 13.1 1.0 FE1 B:FES201 2.7 10.8 1.0 CE1 B:HIS87 2.9 12.9 1.0 CG B:HIS87 3.1 13.0 1.0 CB B:CYS83 3.3 12.2 1.0 CB B:HIS87 3.6 13.3 1.0 CA B:CYS83 3.9 12.5 1.0 N B:HIS87 4.0 12.8 1.0 N B:GLY85 4.1 14.6 1.0 NE2 B:HIS87 4.1 14.9 1.0 CD2 B:HIS87 4.2 14.6 1.0 CD B:PRO100 4.3 10.3 1.0 CB B:PRO100 4.4 10.0 1.0 CA B:GLY85 4.4 14.6 1.0 CA B:HIS87 4.4 13.4 1.0 N B:ASP84 4.4 13.5 1.0 SG B:CYS74 4.4 11.3 1.0 N B:ALA86 4.4 14.2 1.0 C B:CYS83 4.5 13.8 1.0 CG B:PRO100 4.6 9.9 1.0 C B:GLY85 4.6 14.9 1.0 SG B:CYS72 4.6 10.2 1.0 CA B:CYS72 4.7 8.9 1.0 N B:PRO100 4.8 9.0 1.0 CB B:CYS72 4.8 9.9 1.0 CA B:PRO100 5.0 9.8 1.0

E.L.Baxter, J.A.Zuris, C.Wang, P.L.Vo, H.L.Axelrod, A.E.Cohen, M.L.Paddock, R.Nechushtai, J.N.Onuchic, P.A.Jennings. Allosteric Control in A Metalloprotein Dramatically Alters Function. Proc.Natl.Acad.Sci.Usa V. 110 948 2013.
ISSN: ISSN 0027-8424
PubMed: 23271805
DOI: 10.1073/PNAS.1208286110