Iron in PDB 4max: Crystal Structure of Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification

The structure of Crystal Structure of Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification, PDB code: 4max was solved by B.B.Wenke, J.L.Schlessman, A.Heroux, J.T.J.Lecomte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.49 / 1.44
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.791, 68.791, 156.059, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 19.4

The binding sites of Iron atom in the Crystal Structure of Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification (pdb code 4max). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification, PDB code: 4max:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification


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 Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.1 occ:1.00 FE A:HEB201 0.0 7.1 1.0 NE2 A:HIS46 2.0 7.7 1.0 ND A:HEB201 2.0 6.8 1.0 NE2 A:HIS70 2.0 8.2 1.0 NB A:HEB201 2.0 6.1 1.0 NC A:HEB201 2.0 7.1 1.0 NA A:HEB201 2.0 6.9 1.0 CD2 A:HIS46 2.9 7.4 1.0 CE1 A:HIS70 3.0 7.6 1.0 C1D A:HEB201 3.0 7.0 1.0 C4D A:HEB201 3.0 7.4 1.0 C4C A:HEB201 3.0 6.0 1.0 CE1 A:HIS46 3.0 7.3 1.0 C1C A:HEB201 3.0 6.0 1.0 C4B A:HEB201 3.0 6.7 1.0 C1A A:HEB201 3.0 7.3 1.0 CD2 A:HIS70 3.0 8.1 1.0 C4A A:HEB201 3.0 6.0 1.0 C1B A:HEB201 3.0 6.4 1.0 CHD A:HEB201 3.3 6.8 1.0 CHA A:HEB201 3.4 8.9 1.0 CHC A:HEB201 3.4 7.1 1.0 CHB A:HEB201 3.4 6.6 1.0 ND1 A:HIS46 4.1 7.5 1.0 CG A:HIS46 4.1 7.6 1.0 ND1 A:HIS70 4.1 8.5 1.0 CG A:HIS70 4.2 8.3 1.0 C2D A:HEB201 4.2 7.4 1.0 C3C A:HEB201 4.2 7.3 1.0 C3A A:HEB201 4.3 8.1 1.0 C3D A:HEB201 4.3 8.9 1.0 C2B A:HEB201 4.3 6.2 1.0 C2C A:HEB201 4.3 6.5 1.0 C2A A:HEB201 4.3 9.2 1.0 C3B A:HEB201 4.3 7.5 1.0

Iron binding site 2 out of 3 in the Crystal Structure of Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification


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 Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:10.4 occ:1.00 FE B:HEB201 0.0 10.4 1.0 NE2 B:HIS46 2.0 10.7 1.0 NE2 B:HIS70 2.0 13.3 1.0 NB B:HEB201 2.0 9.9 1.0 ND B:HEB201 2.0 10.5 1.0 NA B:HEB201 2.0 10.4 1.0 NC B:HEB201 2.0 8.9 1.0 CD2 B:HIS46 3.0 10.0 1.0 CE1 B:HIS70 3.0 13.8 1.0 CE1 B:HIS46 3.0 9.3 1.0 CD2 B:HIS70 3.0 12.0 1.0 C4D B:HEB201 3.0 10.8 1.0 C1B B:HEB201 3.0 8.9 1.0 C1A B:HEB201 3.0 11.3 1.0 C4A B:HEB201 3.0 10.0 1.0 C1C B:HEB201 3.0 8.8 1.0 C1D B:HEB201 3.0 9.7 1.0 C4B B:HEB201 3.0 10.1 1.0 C4C B:HEB201 3.0 9.2 1.0 CHB B:HEB201 3.3 10.1 1.0 CHA B:HEB201 3.4 13.2 1.0 CHC B:HEB201 3.4 10.8 1.0 CHD B:HEB201 3.4 8.8 1.0 ND1 B:HIS46 4.1 9.6 1.0 ND1 B:HIS70 4.1 13.8 1.0 CG B:HIS46 4.1 9.4 1.0 CG B:HIS70 4.1 13.1 1.0 C3C B:HEB201 4.3 9.6 1.0 C2B B:HEB201 4.3 9.7 1.0 C3A B:HEB201 4.3 11.4 1.0 C2A B:HEB201 4.3 13.7 1.0 C3D B:HEB201 4.3 13.5 1.0 C2C B:HEB201 4.3 9.6 1.0 C2D B:HEB201 4.3 11.4 1.0 C3B B:HEB201 4.3 10.6 1.0

Iron binding site 3 out of 3 in the Crystal Structure of Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification


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 Synechococcus Sp. Pcc 7002 Globin at Cryogenic Temperature with Heme Modification within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:10.2 occ:1.00 FE C:HEB201 0.0 10.2 1.0 NE2 C:HIS70 2.0 13.0 1.0 NE2 C:HIS46 2.0 11.5 1.0 NB C:HEB201 2.0 9.4 1.0 NA C:HEB201 2.0 8.8 1.0 ND C:HEB201 2.0 10.3 1.0 NC C:HEB201 2.0 9.3 1.0 CE1 C:HIS70 3.0 13.0 1.0 CD2 C:HIS46 3.0 11.6 1.0 CE1 C:HIS46 3.0 10.7 1.0 CD2 C:HIS70 3.0 11.8 1.0 C1B C:HEB201 3.0 8.9 1.0 C4D C:HEB201 3.0 10.2 1.0 C4C C:HEB201 3.0 10.0 1.0 C1D C:HEB201 3.0 9.7 1.0 C4B C:HEB201 3.0 9.3 1.0 C1A C:HEB201 3.0 9.5 1.0 C4A C:HEB201 3.0 9.0 1.0 C1C C:HEB201 3.0 10.6 1.0 CHB C:HEB201 3.4 9.4 1.0 CHD C:HEB201 3.4 11.1 1.0 CHC C:HEB201 3.4 10.6 1.0 CHA C:HEB201 3.4 11.2 1.0 ND1 C:HIS70 4.1 13.3 1.0 ND1 C:HIS46 4.1 11.3 1.0 CG C:HIS46 4.1 10.7 1.0 CG C:HIS70 4.1 12.5 1.0 C2D C:HEB201 4.3 10.3 1.0 C3D C:HEB201 4.3 11.1 1.0 C2B C:HEB201 4.3 9.5 1.0 C3C C:HEB201 4.3 11.1 1.0 C2A C:HEB201 4.3 10.4 1.0 C3B C:HEB201 4.3 10.5 1.0 C3A C:HEB201 4.3 10.2 1.0 C2C C:HEB201 4.3 11.6 1.0

B.B.Wenke, J.T.Lecomte, A.Heroux, J.L.Schlessman. The 2/2 Hemoglobin From the Cyanobacterium Synechococcus Sp. Pcc 7002 with Covalently Attached Heme: Comparison of X-Ray and uc(Nmr) Structures. Proteins V. 82 528 2014.
ISSN: ISSN 0887-3585
PubMed: 23999883
DOI: 10.1002/PROT.24409