Zinc in PDB 4twu: Horse Heart Myoglobin Mutant (D44K/D60K/E85K) with Zn-Deuteroporphyrin IX

The structure of Horse Heart Myoglobin Mutant (D44K/D60K/E85K) with Zn-Deuteroporphyrin IX, PDB code: 4twu 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)	21.90 / 1.08
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.660, 30.350, 56.940, 90.00, 98.42, 90.00
R / Rfree (%)	16.3 / 18.5

The binding sites of Zinc atom in the Horse Heart Myoglobin Mutant (D44K/D60K/E85K) with Zn-Deuteroporphyrin IX (pdb code 4twu). 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 (D44K/D60K/E85K) with Zn-Deuteroporphyrin IX, PDB code: 4twu:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Horse Heart Myoglobin Mutant (D44K/D60K/E85K) 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 (D44K/D60K/E85K) with Zn-Deuteroporphyrin IX within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:8.7 occ:0.50 ZN A:ZND201 0.0 8.7 0.5 ZN A:ZND201 0.0 7.0 0.5 N1 A:ZND201 2.0 9.6 0.5 N2 A:ZND201 2.0 8.6 0.5 N1 A:ZND201 2.0 9.1 0.5 N3 A:ZND201 2.0 8.8 0.5 N2 A:ZND201 2.1 8.0 0.5 N A:ZND201 2.1 6.8 0.5 N A:ZND201 2.1 8.5 0.5 NE2 A:HIS93 2.1 6.7 1.0 N3 A:ZND201 2.2 11.7 0.5 C3 A:ZND201 3.0 8.6 0.5 CE1 A:HIS93 3.1 7.5 1.0 C14 A:ZND201 3.1 8.6 0.5 C9 A:ZND201 3.1 7.9 0.5 C5 A:ZND201 3.1 9.0 0.5 C14 A:ZND201 3.1 9.0 0.5 C17 A:ZND201 3.1 9.6 0.5 C9 A:ZND201 3.1 8.8 0.5 C11 A:ZND201 3.1 6.2 0.5 C12 A:ZND201 3.1 7.6 0.5 C15 A:ZND201 3.1 12.7 0.5 C5 A:ZND201 3.1 9.4 0.5 C15 A:ZND201 3.1 10.4 0.5 C12 A:ZND201 3.1 9.1 0.5 C3 A:ZND201 3.1 11.9 0.5 C11 A:ZND201 3.2 8.4 0.5 CD2 A:HIS93 3.2 6.5 1.0 C17 A:ZND201 3.2 13.6 0.5 O A:HOH381 3.3 18.2 1.0 C4 A:ZND201 3.4 8.8 0.5 C10 A:ZND201 3.5 6.5 0.5 C13 A:ZND201 3.5 8.8 0.5 C13 A:ZND201 3.5 8.4 0.5 C4 A:ZND201 3.5 11.4 0.5 C10 A:ZND201 3.5 8.7 0.5 C16 A:ZND201 3.5 11.2 0.5 C16 A:ZND201 3.6 15.2 0.5 ND1 A:HIS93 4.2 7.3 1.0 C2 A:ZND201 4.2 9.0 0.5 C1 A:ZND201 4.3 8.9 0.5 C19 A:ZND201 4.3 9.4 0.5 C18 A:ZND201 4.3 9.7 0.5 C8 A:ZND201 4.3 9.1 0.5 C18 A:ZND201 4.3 12.7 0.5 C8 A:ZND201 4.3 8.8 0.5 CG A:HIS93 4.3 6.2 1.0 C19 A:ZND201 4.3 11.3 0.5 C6 A:ZND201 4.3 8.9 0.5 C25 A:ZND201 4.3 8.5 0.5 C24 A:ZND201 4.3 8.2 0.5 C6 A:ZND201 4.3 10.2 0.5 C2 A:ZND201 4.4 13.8 0.5 C1 A:ZND201 4.4 14.6 0.5 C24 A:ZND201 4.4 10.8 0.5 C25 A:ZND201 4.4 10.7 0.5 CG2 A:VAL68 4.7 9.8 1.0 NE2 A:HIS64 4.7 17.1 1.0 CD2 A:HIS97 4.9 12.6 1.0 CE1 A:HIS64 5.0 14.8 1.0

Zinc binding site 2 out of 2 in the Horse Heart Myoglobin Mutant (D44K/D60K/E85K) 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 (D44K/D60K/E85K) with Zn-Deuteroporphyrin IX within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:7.0 occ:0.50 ZN A:ZND201 0.0 7.0 0.5 ZN A:ZND201 0.0 8.7 0.5 N2 A:ZND201 2.0 8.6 0.5 N1 A:ZND201 2.0 9.6 0.5 N3 A:ZND201 2.0 8.8 0.5 N2 A:ZND201 2.0 8.0 0.5 N1 A:ZND201 2.0 9.1 0.5 N A:ZND201 2.1 6.8 0.5 NE2 A:HIS93 2.1 6.7 1.0 N3 A:ZND201 2.1 11.7 0.5 N A:ZND201 2.1 8.5 0.5 C3 A:ZND201 3.0 8.6 0.5 CE1 A:HIS93 3.1 7.5 1.0 C5 A:ZND201 3.1 9.0 0.5 C9 A:ZND201 3.1 7.9 0.5 C17 A:ZND201 3.1 9.6 0.5 C9 A:ZND201 3.1 8.8 0.5 C14 A:ZND201 3.1 8.6 0.5 C14 A:ZND201 3.1 9.0 0.5 C11 A:ZND201 3.1 6.2 0.5 C5 A:ZND201 3.1 9.4 0.5 C3 A:ZND201 3.1 11.9 0.5 C12 A:ZND201 3.1 7.6 0.5 C15 A:ZND201 3.1 12.7 0.5 C15 A:ZND201 3.1 10.4 0.5 C12 A:ZND201 3.2 9.1 0.5 CD2 A:HIS93 3.2 6.5 1.0 C11 A:ZND201 3.2 8.4 0.5 C17 A:ZND201 3.2 13.6 0.5 O A:HOH381 3.3 18.2 1.0 C4 A:ZND201 3.4 8.8 0.5 C10 A:ZND201 3.5 6.5 0.5 C4 A:ZND201 3.5 11.4 0.5 C13 A:ZND201 3.5 8.8 0.5 C13 A:ZND201 3.5 8.4 0.5 C10 A:ZND201 3.5 8.7 0.5 C16 A:ZND201 3.5 11.2 0.5 C16 A:ZND201 3.6 15.2 0.5 ND1 A:HIS93 4.2 7.3 1.0 C2 A:ZND201 4.2 9.0 0.5 C1 A:ZND201 4.2 8.9 0.5 C8 A:ZND201 4.3 9.1 0.5 C8 A:ZND201 4.3 8.8 0.5 CG A:HIS93 4.3 6.2 1.0 C18 A:ZND201 4.3 9.7 0.5 C19 A:ZND201 4.3 9.4 0.5 C6 A:ZND201 4.3 8.9 0.5 C18 A:ZND201 4.3 12.7 0.5 C19 A:ZND201 4.3 11.3 0.5 C6 A:ZND201 4.3 10.2 0.5 C2 A:ZND201 4.3 13.8 0.5 C25 A:ZND201 4.3 8.5 0.5 C24 A:ZND201 4.4 8.2 0.5 C1 A:ZND201 4.4 14.6 0.5 C24 A:ZND201 4.4 10.8 0.5 C25 A:ZND201 4.4 10.7 0.5 CG2 A:VAL68 4.7 9.8 1.0 NE2 A:HIS64 4.7 17.1 1.0 CD2 A:HIS97 4.9 12.6 1.0

E.Trana, I.Span, J.Vanderwoude, J.Nocek, A.C.Rosenzweig, B.Hoffman. Horse Heart Myoglobin Mutant (D44K/D60K/E85K) with Zn-Deuteroporphyrin IX To Be Published.