Zinc in PDB 4wz9: APN1 From Anopheles Gambiae

The structure of APN1 From Anopheles Gambiae, PDB code: 4wz9 was solved by S.C.Atkinson, J.S.Armistead, D.K.Mathias, M.M.Sandeu, D.Tao, N.Borhani-Dizaji, I.Morlais, R.R.Dinglasan, N.A.Borg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	113.480, 132.900, 146.010, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.4

The structure of APN1 From Anopheles Gambiae also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Zinc atom in the APN1 From Anopheles Gambiae (pdb code 4wz9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the APN1 From Anopheles Gambiae, PDB code: 4wz9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the APN1 From Anopheles Gambiae


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of APN1 From Anopheles Gambiae within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:50.8 occ:1.00 O M:ALA1 1.9 88.1 1.0 OE1 A:GLU389 2.0 49.0 1.0 NE2 A:HIS370 2.0 53.1 1.0 NE2 A:HIS366 2.2 35.7 1.0 C M:ALA1 2.9 82.3 1.0 CD A:GLU389 2.9 44.8 1.0 CD2 A:HIS370 3.0 52.8 1.0 N M:ALA1 3.0 78.3 1.0 CE1 A:HIS370 3.0 53.6 1.0 CD2 A:HIS366 3.0 35.5 1.0 OE2 A:GLU389 3.2 48.7 1.0 CE1 A:HIS366 3.2 38.3 1.0 CA M:ALA1 3.5 83.8 1.0 N M:ALA2 4.0 72.8 1.0 CB A:ALA392 4.0 45.7 1.0 CE1 A:TYR452 4.0 41.2 1.0 ND1 A:HIS370 4.1 52.2 1.0 CG A:HIS370 4.1 51.2 1.0 OH A:TYR452 4.2 44.4 1.0 CG A:HIS366 4.2 37.3 1.0 ND1 A:HIS366 4.3 39.0 1.0 CG A:GLU389 4.3 45.0 1.0 OE1 A:GLU333 4.3 52.1 1.0 OE1 A:GLU367 4.4 48.8 1.0 OE2 A:GLU367 4.4 55.0 1.0 CA M:ALA2 4.6 70.2 1.0 CZ A:TYR452 4.6 40.5 1.0 CA A:GLU389 4.7 47.8 1.0 CB A:GLU389 4.7 47.0 1.0 CD A:GLU367 4.8 47.8 1.0 CD A:GLU333 4.8 52.7 1.0 CB M:ALA1 4.9 80.9 1.0 OE2 A:GLU333 4.9 56.7 1.0 CD1 A:TYR452 5.0 45.8 1.0

Zinc binding site 2 out of 2 in the APN1 From Anopheles Gambiae


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of APN1 From Anopheles Gambiae within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:44.6 occ:1.00 OE1 B:GLU389 2.0 48.0 1.0 NE2 B:HIS370 2.1 32.8 1.0 NE2 B:HIS366 2.2 32.0 1.0 O N:ALA0 2.4 82.9 1.0 CD B:GLU389 3.0 44.5 1.0 CD2 B:HIS370 3.1 33.5 1.0 CD2 B:HIS366 3.1 31.7 1.0 C N:ALA0 3.1 95.7 1.0 CE1 B:HIS370 3.1 34.3 1.0 CE1 B:HIS366 3.2 33.1 1.0 OE2 B:GLU389 3.2 49.1 1.0 N N:ALA0 3.4 91.1 1.0 N N:ALA1 3.8 89.6 1.0 CA N:ALA0 3.9 96.4 1.0 CE2 B:TYR452 3.9 46.2 1.0 CB B:ALA392 4.0 39.6 1.0 OH B:TYR452 4.1 53.9 1.0 CG B:HIS370 4.2 35.4 1.0 ND1 B:HIS370 4.2 34.7 1.0 CG B:HIS366 4.3 34.0 1.0 ND1 B:HIS366 4.3 35.1 1.0 CA N:ALA1 4.3 86.5 1.0 CG B:GLU389 4.3 42.9 1.0 CZ B:TYR452 4.4 45.5 1.0 OE1 B:GLU333 4.4 51.9 1.0 OE1 B:GLU367 4.5 54.7 1.0 OE2 B:GLU367 4.6 48.5 1.0 CB B:GLU389 4.7 41.4 1.0 CA B:GLU389 4.7 40.6 1.0 CD B:GLU367 4.9 47.7 1.0 CD B:GLU333 4.9 48.0 1.0 CD2 B:TYR452 4.9 46.5 1.0 CB N:ALA1 5.0 76.3 1.0 CB N:ALA0 5.0 97.6 1.0 OE2 B:GLU333 5.0 56.4 1.0

S.C.Atkinson, J.S.Armistead, D.K.Mathias, M.M.Sandeu, D.Tao, N.Borhani-Dizaji, B.B.Tarimo, I.Morlais, R.R.Dinglasan, N.A.Borg. The Anopheles-Midgut APN1 Structure Reveals A New Malaria Transmission-Blocking Vaccine Epitope. Nat.Struct.Mol.Biol. V. 22 532 2015.
ISSN: ESSN 1545-9985
PubMed: 26075520
DOI: 10.1038/NSMB.3048