Nickel in PDB 2uwj: Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation

The structure of Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation, PDB code: 2uwj was solved by M.Quinaud, S.Ple, V.Job, C.Contreras-Martel, J.P.Simorre, I.Attree, A.Dessen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.99 / 2.00
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.305, 85.305, 157.553, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 23.6

The binding sites of Nickel atom in the Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation (pdb code 2uwj). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation, PDB code: 2uwj:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation within 5.0Å range: probe atom residue distance (Å) B Occ E:Ni1071 b:0.9 occ:1.00 O E:HOH2029 2.9 62.5 1.0 NE E:ARG35 3.0 54.3 1.0 OE2 E:GLU58 3.2 48.4 1.0 CG E:ARG35 3.5 39.6 1.0 CB E:ALA54 3.8 24.2 1.0 CD E:ARG35 3.8 47.7 1.0 O E:HOH2007 3.9 47.2 1.0 CZ E:ARG35 3.9 53.1 1.0 NH2 E:ARG35 3.9 57.0 1.0 O E:HOH2033 4.0 58.4 1.0 CD E:GLU58 4.1 46.2 1.0 CD1 E:LEU31 4.3 28.0 1.0 OE1 E:GLU58 4.7 44.2 1.0 CB E:ARG35 4.9 34.2 1.0 CD1 E:LEU38 5.0 29.1 1.0

Nickel binding site 2 out of 3 in the Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation within 5.0Å range: probe atom residue distance (Å) B Occ E:Ni1072 b:0.2 occ:1.00 CE1 E:PHE49 2.7 56.3 1.0 CD1 E:PHE49 2.8 47.9 1.0 NE2 E:GLN53 3.1 40.5 1.0 CZ E:PHE49 3.2 54.2 1.0 O E:PHE49 3.3 28.2 1.0 CG E:PHE49 3.4 48.0 1.0 CB E:GLN53 3.4 30.6 1.0 NE1 G:TRP31 3.5 36.8 1.0 CD1 G:TRP31 3.5 37.5 1.0 CE2 E:PHE49 3.6 57.5 1.0 CD2 E:PHE49 3.7 56.6 1.0 CD E:GLN53 3.8 44.1 1.0 C E:PHE49 3.9 32.9 1.0 CG E:GLN53 4.2 35.1 1.0 CA E:GLN53 4.2 27.2 1.0 N E:GLN53 4.3 24.9 1.0 CA E:PHE49 4.5 30.4 1.0 CB E:PHE49 4.5 37.3 1.0 OE1 E:GLN53 4.6 43.6 1.0 CD2 G:LEU35 4.8 43.6 1.0 N E:LEU50 4.8 26.6 1.0 CE2 G:TRP31 4.8 33.9 1.0 CG G:TRP31 4.9 33.3 1.0

Nickel binding site 3 out of 3 in the Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Structure of the Heterotrimeric Complex Which Regulates Type III Secretion Needle Formation within 5.0Å range: probe atom residue distance (Å) B Occ F:Ni1086 b:28.7 occ:1.00 ND1 F:HIS55 1.9 28.6 1.0 N F:MET54 1.9 25.0 1.0 N F:HIS55 2.1 29.9 1.0 CG F:HIS55 2.8 30.1 1.0 CA F:MET54 2.9 32.2 1.0 C F:MET54 3.0 32.9 1.0 CE1 F:HIS55 3.0 34.2 1.0 CA F:HIS55 3.1 34.0 1.0 CB F:HIS55 3.1 25.2 1.0 O F:HOH2003 3.2 30.7 1.0 N F:LYS56 3.8 36.9 1.0 C F:HIS55 3.9 38.4 1.0 CD2 F:HIS55 4.0 32.6 1.0 NE2 F:HIS55 4.0 30.2 1.0 CB F:MET54 4.1 31.5 1.0 O F:MET54 4.2 34.5 1.0

M.Quinaud, S.Ple, V.Job, C.Contreras-Martel, J.P.Simorre, I.Attree, A.Dessen. Structure of the Heterotrimeric Complex That Regulates Type III Secretion Needle Formation. Proc. Natl. Acad. Sci. V. 104 7803 2007U.S.A..
ISSN: ISSN 0027-8424
PubMed: 17470796
DOI: 10.1073/PNAS.0610098104