Zinc in PDB 6rxp: Crystal Structure of Cobb AC2 (A76G,I131C,V162A) in Complex with H4K16-Crotonyl Peptide

Protein crystallography data

The structure of Crystal Structure of Cobb AC2 (A76G,I131C,V162A) in Complex with H4K16-Crotonyl Peptide, PDB code: 6rxp was solved by M.Spinck, R.Gasper, H.Neumann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.95 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.560, 91.890, 95.900, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 23.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Cobb AC2 (A76G,I131C,V162A) in Complex with H4K16-Crotonyl Peptide (pdb code 6rxp). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Cobb AC2 (A76G,I131C,V162A) in Complex with H4K16-Crotonyl Peptide, PDB code: 6rxp:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6rxp

Go back to Zinc Binding Sites List in 6rxp
Zinc binding site 1 out of 2 in the Crystal Structure of Cobb AC2 (A76G,I131C,V162A) in Complex with H4K16-Crotonyl Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Cobb AC2 (A76G,I131C,V162A) in Complex with H4K16-Crotonyl Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:43.1
occ:1.00
O A:HOH444 2.2 58.4 1.0
SG A:CYS177 2.4 43.0 1.0
SG A:CYS176 2.4 42.4 1.0
SG A:CYS174 2.4 41.3 1.0
SG A:CYS155 2.5 38.8 1.0
CB A:CYS174 3.1 39.0 1.0
CB A:CYS177 3.3 54.5 1.0
N A:CYS177 3.3 52.9 1.0
CB A:CYS155 3.4 36.7 1.0
CB A:CYS176 3.7 50.8 1.0
C A:CYS176 3.8 56.5 1.0
OG A:SER158 3.9 40.6 1.0
CA A:CYS177 3.9 48.1 1.0
N A:CYS176 4.0 45.5 1.0
CA A:CYS176 4.0 44.7 1.0
CB A:ALA181 4.3 43.0 1.0
CB A:SER158 4.3 45.0 1.0
CA A:CYS174 4.5 40.7 1.0
N A:SER158 4.6 43.9 1.0
O A:CYS176 4.6 51.8 1.0
N A:ALA181 4.7 54.1 1.0
O A:HOH454 4.7 52.7 1.0
CA A:CYS155 4.7 35.0 1.0
CB A:GLN157 4.9 45.1 1.0
C A:CYS174 4.9 43.5 1.0
N A:HIS175 4.9 49.5 1.0

Zinc binding site 2 out of 2 in 6rxp

Go back to Zinc Binding Sites List in 6rxp
Zinc binding site 2 out of 2 in the Crystal Structure of Cobb AC2 (A76G,I131C,V162A) in Complex with H4K16-Crotonyl Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Cobb AC2 (A76G,I131C,V162A) in Complex with H4K16-Crotonyl Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:41.0
occ:1.00
SG B:CYS174 2.2 37.5 1.0
SG B:CYS176 2.3 40.6 1.0
SG B:CYS177 2.4 40.9 1.0
SG B:CYS155 2.4 35.5 1.0
CB B:CYS174 2.9 36.3 1.0
CB B:CYS177 3.3 40.7 1.0
N B:CYS177 3.3 45.9 1.0
CB B:CYS155 3.3 37.3 1.0
CB B:CYS176 3.6 44.2 1.0
OG B:SER158 3.7 42.9 1.0
C B:CYS176 3.8 44.8 1.0
CA B:CYS177 3.9 46.4 1.0
N B:CYS176 3.9 40.5 1.0
CA B:CYS176 3.9 43.9 1.0
CB B:SER158 4.2 40.0 1.0
CA B:CYS174 4.4 39.0 1.0
CB B:ALA181 4.4 45.9 1.0
N B:SER158 4.5 43.3 1.0
O B:CYS176 4.6 45.2 1.0
CA B:CYS155 4.7 32.7 1.0
N B:ALA181 4.7 40.4 1.0
C B:CYS174 4.7 41.6 1.0
N B:HIS175 4.8 38.5 1.0
CB B:GLN157 4.8 48.4 1.0

Reference:

M.Spinck, P.Neumann-Staubitz, M.Ecke, R.Gasper, H.Neumann. Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 32187803
DOI: 10.1002/ANIE.202002899
Page generated: Wed Dec 16 12:43:44 2020

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