Nickel in PDB 1twq: Crystal Structure of the C-Terminal Pgn-Binding Domain of Human Pgrp- Ialpha in Complex with Pgn Analog Muramyl Tripeptide

The structure of Crystal Structure of the C-Terminal Pgn-Binding Domain of Human Pgrp- Ialpha in Complex with Pgn Analog Muramyl Tripeptide, PDB code: 1twq was solved by R.Guan, A.Roychowdury, G.-A.Boons, R.A.Mariuzza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.54 / 2.30
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.511, 104.511, 42.050, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 25.2

The binding sites of Nickel atom in the Crystal Structure of the C-Terminal Pgn-Binding Domain of Human Pgrp- Ialpha in Complex with Pgn Analog Muramyl Tripeptide (pdb code 1twq). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of the C-Terminal Pgn-Binding Domain of Human Pgrp- Ialpha in Complex with Pgn Analog Muramyl Tripeptide, PDB code: 1twq:

Nickel binding site 1 out of 1 in the Crystal Structure of the C-Terminal Pgn-Binding Domain of Human Pgrp- Ialpha in Complex with Pgn Analog Muramyl Tripeptide


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of the C-Terminal Pgn-Binding Domain of Human Pgrp- Ialpha in Complex with Pgn Analog Muramyl Tripeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni900 b:38.0 occ:1.00 O A:VAL177 2.0 31.5 1.0 N A:VAL177 2.1 30.6 1.0 OD2 A:ASP296 2.2 31.2 1.0 O A:HOH7 2.3 32.3 1.0 O A:HOH10 2.4 29.2 1.0 C A:VAL177 2.7 32.0 1.0 CA A:VAL177 2.9 31.4 1.0 CG A:ASP296 3.0 29.0 1.0 OD1 A:ASP296 3.2 33.0 1.0 O A:HOH36 3.4 40.1 1.0 N A:CYS178 4.0 32.3 1.0 OE1 A:GLN299 4.1 26.4 1.0 CB A:VAL177 4.1 33.8 1.0 CG2 A:VAL177 4.2 31.0 1.0 CB A:ASP296 4.4 28.2 1.0 O A:ASP296 4.5 27.0 1.0 CA A:CYS178 4.7 33.1 1.0 CA A:ASP296 4.8 27.2 1.0 C A:CYS178 4.9 33.1 1.0 CG1 A:VAL177 4.9 32.5 1.0 C A:ASP296 5.0 25.8 1.0

R.Guan, A.Roychowdhury, B.Ember, S.Kumar, G.-A.Boons, R.A.Mariuzza. Structural Basis For Peptidoglycan Binding By Peptidoglycan Recognition Proteins Proc.Natl.Acad.Sci.Usa V. 101 17168 2004.
ISSN: ISSN 0027-8424
PubMed: 15572450
DOI: 10.1073/PNAS.0407856101