Zinc in PDB 4twv: Horse Heart Myoglobin Mutant (K45E/K63E/K96E) with Zn-Deuteroporphyrin IX

The structure of Horse Heart Myoglobin Mutant (K45E/K63E/K96E) with Zn-Deuteroporphyrin IX, PDB code: 4twv was solved by I.Span, A.C.Rosenzweig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.53 / 1.06
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	28.530, 34.970, 123.450, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 16.5

The binding sites of Zinc atom in the Horse Heart Myoglobin Mutant (K45E/K63E/K96E) with Zn-Deuteroporphyrin IX (pdb code 4twv). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Horse Heart Myoglobin Mutant (K45E/K63E/K96E) with Zn-Deuteroporphyrin IX, PDB code: 4twv:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Horse Heart Myoglobin Mutant (K45E/K63E/K96E) with Zn-Deuteroporphyrin IX


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Horse Heart Myoglobin Mutant (K45E/K63E/K96E) with Zn-Deuteroporphyrin IX within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:5.4 occ:0.50 ZN A:ZND201 0.0 5.4 0.5 ZN A:ZND201 0.1 4.9 0.5 N1 A:ZND201 2.0 5.3 0.5 N2 A:ZND201 2.0 6.1 0.5 N1 A:ZND201 2.0 5.6 0.5 N3 A:ZND201 2.1 6.0 0.5 N2 A:ZND201 2.1 5.5 0.5 N3 A:ZND201 2.1 5.5 0.5 N A:ZND201 2.1 5.0 0.5 N A:ZND201 2.1 4.3 0.5 NE2 A:HIS93 2.1 5.1 1.0 C15 A:ZND201 3.0 6.0 0.5 C9 A:ZND201 3.1 6.3 0.5 CE1 A:HIS93 3.1 5.3 1.0 C14 A:ZND201 3.1 5.0 0.5 C17 A:ZND201 3.1 6.5 0.5 C14 A:ZND201 3.1 5.5 0.5 C3 A:ZND201 3.1 6.2 0.5 C5 A:ZND201 3.1 6.1 0.5 C3 A:ZND201 3.1 5.8 0.5 C12 A:ZND201 3.1 5.3 0.5 C12 A:ZND201 3.1 4.3 0.5 C11 A:ZND201 3.1 5.4 0.5 C17 A:ZND201 3.1 5.6 0.5 C5 A:ZND201 3.1 5.8 0.5 C9 A:ZND201 3.1 5.4 0.5 CD2 A:HIS93 3.1 5.0 1.0 C15 A:ZND201 3.1 5.8 0.5 C11 A:ZND201 3.1 4.7 0.5 C13 A:ZND201 3.4 5.3 0.5 C4 A:ZND201 3.4 6.3 0.5 C4 A:ZND201 3.5 6.2 0.5 C13 A:ZND201 3.5 4.6 0.5 C10 A:ZND201 3.5 5.3 0.5 C10 A:ZND201 3.5 4.8 0.5 C16 A:ZND201 3.5 6.5 0.5 C16 A:ZND201 3.6 5.9 0.5 O A:HOH427 3.7 16.9 1.0 ND1 A:HIS93 4.2 5.9 1.0 CG A:HIS93 4.3 5.3 1.0 C18 A:ZND201 4.3 6.0 0.5 C8 A:ZND201 4.3 6.3 0.5 C2 A:ZND201 4.3 7.0 0.5 C19 A:ZND201 4.3 5.8 0.5 C19 A:ZND201 4.3 5.5 0.5 C1 A:ZND201 4.3 7.1 0.5 C18 A:ZND201 4.3 5.8 0.5 C6 A:ZND201 4.3 6.5 0.5 C2 A:ZND201 4.3 6.3 0.5 C1 A:ZND201 4.3 6.0 0.5 C8 A:ZND201 4.3 5.6 0.5 C24 A:ZND201 4.4 4.8 0.5 C6 A:ZND201 4.4 6.5 0.5 C24 A:ZND201 4.4 5.6 0.5 C25 A:ZND201 4.4 6.0 0.5 C25 A:ZND201 4.4 4.9 0.5 CG2 A:VAL68 4.5 4.8 1.0 NE2 A:HIS64 4.6 12.4 1.0

Zinc binding site 2 out of 2 in the Horse Heart Myoglobin Mutant (K45E/K63E/K96E) with Zn-Deuteroporphyrin IX


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Horse Heart Myoglobin Mutant (K45E/K63E/K96E) with Zn-Deuteroporphyrin IX within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:4.9 occ:0.50 ZN A:ZND201 0.0 4.9 0.5 ZN A:ZND201 0.1 5.4 0.5 N1 A:ZND201 2.0 5.6 0.5 N1 A:ZND201 2.0 5.3 0.5 N2 A:ZND201 2.0 5.5 0.5 N3 A:ZND201 2.1 5.5 0.5 N A:ZND201 2.1 4.3 0.5 N2 A:ZND201 2.1 6.1 0.5 N3 A:ZND201 2.1 6.0 0.5 NE2 A:HIS93 2.1 5.1 1.0 N A:ZND201 2.1 5.0 0.5 CE1 A:HIS93 3.0 5.3 1.0 C14 A:ZND201 3.0 5.5 0.5 C17 A:ZND201 3.1 5.6 0.5 C9 A:ZND201 3.1 5.4 0.5 C15 A:ZND201 3.1 5.8 0.5 C11 A:ZND201 3.1 4.7 0.5 C12 A:ZND201 3.1 4.3 0.5 C3 A:ZND201 3.1 5.8 0.5 C14 A:ZND201 3.1 5.0 0.5 C5 A:ZND201 3.1 5.8 0.5 C15 A:ZND201 3.1 6.0 0.5 C3 A:ZND201 3.1 6.2 0.5 C5 A:ZND201 3.1 6.1 0.5 C9 A:ZND201 3.1 6.3 0.5 C12 A:ZND201 3.1 5.3 0.5 C17 A:ZND201 3.1 6.5 0.5 CD2 A:HIS93 3.2 5.0 1.0 C11 A:ZND201 3.2 5.4 0.5 C10 A:ZND201 3.4 4.8 0.5 C13 A:ZND201 3.4 5.3 0.5 C4 A:ZND201 3.5 6.3 0.5 C13 A:ZND201 3.5 4.6 0.5 C4 A:ZND201 3.5 6.2 0.5 C16 A:ZND201 3.5 5.9 0.5 C10 A:ZND201 3.5 5.3 0.5 C16 A:ZND201 3.6 6.5 0.5 O A:HOH427 3.7 16.9 1.0 ND1 A:HIS93 4.2 5.9 1.0 C19 A:ZND201 4.2 5.8 0.5 C18 A:ZND201 4.2 5.8 0.5 C1 A:ZND201 4.3 6.0 0.5 C2 A:ZND201 4.3 6.3 0.5 CG A:HIS93 4.3 5.3 1.0 C8 A:ZND201 4.3 5.6 0.5 C24 A:ZND201 4.3 4.8 0.5 C25 A:ZND201 4.3 4.9 0.5 C6 A:ZND201 4.3 6.5 0.5 C18 A:ZND201 4.3 6.0 0.5 C19 A:ZND201 4.3 5.5 0.5 C2 A:ZND201 4.3 7.0 0.5 C8 A:ZND201 4.3 6.3 0.5 C1 A:ZND201 4.3 7.1 0.5 C6 A:ZND201 4.3 6.5 0.5 C24 A:ZND201 4.4 5.6 0.5 C25 A:ZND201 4.4 6.0 0.5 CG2 A:VAL68 4.4 4.8 1.0 NE2 A:HIS64 4.6 12.4 1.0

E.Trana, I.Span, J.Vanderwoude, J.Nocek, A.C.Rosenzweig, B.M.Hoffman. Horse Heart Myoglobin Mutant (K45E/K63E/K96E) with Zn-Deuteroporphyrin IX To Be Published.