Zinc in PDB 4xok: Observing the Overall Rocking Motion of A Protein in A Crystal.

The structure of Observing the Overall Rocking Motion of A Protein in A Crystal., PDB code: 4xok was solved by N.Coquelle, P.Ma, P.Schanda, J.P.Colletier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.97 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.724, 50.364, 93.458, 90.00, 90.00, 90.00
R / Rfree (%)	30.3 / 32.4

The binding sites of Zinc atom in the Observing the Overall Rocking Motion of A Protein in A Crystal. (pdb code 4xok). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Observing the Overall Rocking Motion of A Protein in A Crystal., PDB code: 4xok:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Observing the Overall Rocking Motion of A Protein in A Crystal.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Observing the Overall Rocking Motion of A Protein in A Crystal. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn101 b:29.4 occ:0.74 N A:MET1 2.3 23.5 1.0 OE1 A:GLU16 2.3 34.9 1.0 CA A:MET1 2.4 29.7 1.0 C A:MET1 2.9 27.6 1.0 CD A:GLU16 3.1 33.6 1.0 OE2 A:GLU16 3.1 33.6 1.0 O A:MET1 3.4 26.8 1.0 O C:HOH207 3.5 32.6 1.0 N A:GLN2 3.6 26.6 1.0 CB A:MET1 3.9 31.1 1.0 OD2 C:ASP32 4.1 19.0 1.0 O A:VAL17 4.3 29.0 1.0 CG A:GLU16 4.5 31.5 1.0 CA A:GLN2 4.6 22.9 1.0 CG A:MET1 4.9 31.6 1.0 OD1 C:ASP32 4.9 18.6 1.0 CG C:ASP32 4.9 19.2 1.0 CB A:GLN2 5.0 23.2 1.0

Zinc binding site 2 out of 6 in the Observing the Overall Rocking Motion of A Protein in A Crystal.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Observing the Overall Rocking Motion of A Protein in A Crystal. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn102 b:14.2 occ:0.57 O A:HOH207 2.1 11.5 1.0 OD1 A:ASP21 2.3 30.4 1.0 OD2 A:ASP21 2.7 31.1 1.0 CG A:ASP21 2.8 30.4 1.0 CB A:ASP21 4.3 19.3 1.0 O A:HOH218 4.4 30.0 1.0 CE A:LYS29 4.4 17.0 1.0 ND2 A:ASN25 4.6 16.3 1.0 NZ A:LYS29 4.7 17.5 1.0 CB A:GLU18 4.7 29.9 1.0 N A:GLU18 4.8 26.9 1.0 CG A:GLU18 4.8 35.4 1.0 O C:HOH202 4.9 14.1 1.0

Zinc binding site 3 out of 6 in the Observing the Overall Rocking Motion of A Protein in A Crystal.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Observing the Overall Rocking Motion of A Protein in A Crystal. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn101 b:35.1 occ:0.80 NZ B:LYS6 2.1 31.7 1.0 O A:HOH223 2.1 17.2 1.0 NE2 A:HIS68 2.1 28.4 1.0 NE2 B:HIS68 2.2 30.6 1.0 CE1 A:HIS68 2.3 28.2 1.0 CE1 B:HIS68 2.7 30.3 1.0 CE B:LYS6 2.8 31.3 1.0 CD2 A:HIS68 3.3 27.9 1.0 O B:HOH223 3.4 19.3 1.0 CD2 B:HIS68 3.5 30.1 1.0 ND1 A:HIS68 3.5 27.7 1.0 ND1 B:HIS68 4.0 29.8 1.0 CG A:HIS68 4.0 26.7 1.0 CD B:LYS6 4.2 32.4 1.0 NZ A:LYS6 4.3 32.8 1.0 CG B:HIS68 4.4 29.4 1.0 CD A:LYS6 4.7 33.3 1.0

Zinc binding site 4 out of 6 in the Observing the Overall Rocking Motion of A Protein in A Crystal.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Observing the Overall Rocking Motion of A Protein in A Crystal. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn102 b:41.4 occ:0.72 OE2 B:GLU16 2.1 31.4 1.0 N B:MET1 2.4 20.4 1.0 CA B:MET1 2.8 21.3 1.0 CD B:GLU16 3.0 31.3 1.0 OE1 B:GLU16 3.2 33.0 1.0 C B:MET1 3.2 27.7 1.0 O B:MET1 3.5 27.3 1.0 O B:HOH208 3.9 28.2 1.0 O B:VAL17 4.0 22.5 1.0 N B:GLN2 4.1 28.8 1.0 CB B:MET1 4.2 20.9 1.0 CG B:GLU16 4.3 29.1 1.0

Zinc binding site 5 out of 6 in the Observing the Overall Rocking Motion of A Protein in A Crystal.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Observing the Overall Rocking Motion of A Protein in A Crystal. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn101 b:10.8 occ:0.61 OE2 C:GLU18 2.0 20.1 1.0 CD C:GLU18 2.6 13.8 1.0 OE1 C:GLU18 2.6 13.5 1.0 O C:HOH202 3.5 14.1 1.0 CG C:GLU18 4.1 21.2 1.0 CB C:GLU18 5.0 14.2 1.0

Zinc binding site 6 out of 6 in the Observing the Overall Rocking Motion of A Protein in A Crystal.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Observing the Overall Rocking Motion of A Protein in A Crystal. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn102 b:12.6 occ:0.62 OE1 C:GLU16 2.0 25.4 1.0 N C:MET1 2.2 30.7 1.0 CA C:MET1 2.7 30.4 1.0 CD C:GLU16 3.2 26.0 1.0 C C:MET1 3.2 30.0 1.0 O C:MET1 3.6 29.7 1.0 OE2 C:GLU16 3.6 26.3 1.0 O C:HOH210 3.9 17.9 1.0 N C:GLN2 3.9 29.9 1.0 O C:VAL17 3.9 23.4 1.0 CB C:MET1 4.1 35.7 1.0 CG C:GLU16 4.4 26.2 1.0 CA C:GLN2 5.0 29.5 1.0

P.Ma, Y.Xue, N.Coquelle, J.D.Haller, T.Yuwen, I.Ayala, O.Mikhailovskii, D.Willbold, J.P.Colletier, N.R.Skrynnikov, P.Schanda. Observing the Overall Rocking Motion of A Protein in A Crystal. Nat Commun V. 6 8361 2015.
ISSN: ESSN 2041-1723
PubMed: 26436197
DOI: 10.1038/NCOMMS9361