Zinc in PDB 4k0e: X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II

The structure of X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II, PDB code: 4k0e was solved by J.E.Pak, E.Ngonlong Ekende, G.Vandenbussche, R.M.Stroud, Center Forstructures Of Membrane Proteins (Csmp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 3.71
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	215.342, 127.068, 163.331, 90.00, 93.12, 90.00
R / Rfree (%)	22.9 / 28.3

The binding sites of Zinc atom in the X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II (pdb code 4k0e). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II, PDB code: 4k0e:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1101 b:0.6 occ:1.00 OD1 A:ASP602 3.7 94.7 1.0 OD2 A:ASP602 3.9 96.1 1.0 OE1 A:GLU136 4.1 92.0 1.0 CG A:ASP602 4.2 93.8 1.0 OE1 A:GLU610 4.3 75.3 1.0 OE2 A:GLU610 4.7 78.1 1.0 OD2 A:ASP654 4.7 83.4 1.0 NE2 A:HIS664 4.9 73.8 1.0 CD A:GLU610 4.9 76.0 1.0

Zinc binding site 2 out of 4 in the X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1102 b:0.9 occ:1.00 OD2 A:ASP172 3.4 97.4 1.0 NZ A:LYS165 3.5 65.7 1.0 CG A:ASP172 4.3 96.4 1.0 OD1 A:ASP172 4.3 97.3 1.0 OE2 B:GLU72 4.3 0.2 1.0 OE1 A:GLU599 4.4 1.0 1.0 OE1 B:GLU72 4.7 0.1 1.0 CE A:LYS165 4.7 66.4 1.0 CD B:GLU72 4.9 0.8 1.0

Zinc binding site 3 out of 4 in the X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1101 b:99.3 occ:1.00 OE2 B:GLU136 4.0 99.9 1.0 OE1 B:GLU610 4.1 94.0 1.0 OD1 B:ASP602 4.2 0.5 1.0 OD2 B:ASP602 4.2 0.5 1.0 NE2 B:HIS664 4.5 78.8 1.0 CG B:ASP602 4.6 0.3 1.0 CD B:GLU136 5.0 0.1 1.0

Zinc binding site 4 out of 4 in the X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of X-Ray Crystal Structure of A Heavy Metal Efflux Pump, Crystal Form II within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1101 b:0.3 occ:1.00 OE2 C:GLU136 4.2 0.1 1.0 CE1 C:HIS664 4.2 0.5 1.0 OD1 C:ASP602 4.4 0.1 1.0 OD2 C:ASP654 4.4 0.7 1.0 OD2 C:ASP602 4.5 0.2 1.0 OE2 C:GLU610 4.5 0.7 1.0 OE1 C:GLU610 4.6 0.5 1.0 CZ2 C:TRP556 4.8 0.5 1.0 CG C:ASP602 4.8 0.0 1.0 ND1 C:HIS664 4.9 0.1 1.0 CD C:GLU610 5.0 0.9 1.0

J.E.Pak, E.N.Ekende, E.G.Kifle, J.D.O'connell, F.De Angelis, M.B.Tessema, K.M.Derfoufi, Y.Robles-Colmenares, R.A.Robbins, E.Goormaghtigh, G.Vandenbussche, R.M.Stroud. Structures of Intermediate Transport States of Znea, A Zn(II)/Proton Antiporter. Proc.Natl.Acad.Sci.Usa V. 110 18484 2013.
ISSN: ISSN 0027-8424
PubMed: 24173033
DOI: 10.1073/PNAS.1318705110