Nickel in PDB 4pqw: Crystal Structure of Phospholipase C Beta 3 in Complex with PDZ1 of NHERF1

The structure of Crystal Structure of Phospholipase C Beta 3 in Complex with PDZ1 of NHERF1, PDB code: 4pqw was solved by Y.Jiang, S.Wang, J.Holcomb, L.Trescott, X.Guan, Y.Hou, J.Brunzelle, N.Sirinupong, C.Li, Z.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.55 / 1.47
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.660, 50.660, 66.680, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 19.6

The structure of Crystal Structure of Phospholipase C Beta 3 in Complex with PDZ1 of NHERF1 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Nickel atom in the Crystal Structure of Phospholipase C Beta 3 in Complex with PDZ1 of NHERF1 (pdb code 4pqw). 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 Phospholipase C Beta 3 in Complex with PDZ1 of NHERF1, PDB code: 4pqw:

Nickel binding site 1 out of 1 in the Crystal Structure of Phospholipase C Beta 3 in Complex with PDZ1 of NHERF1


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 Phospholipase C Beta 3 in Complex with PDZ1 of NHERF1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni205 b:0.0 occ:1.00 O A:HOH330 2.1 41.7 1.0 O A:ASN96 2.6 29.2 1.0 O A:PRO93 2.7 32.7 1.0 HG1 A:THR97 2.9 39.2 1.0 O A:HOH323 3.2 41.9 1.0 HA A:THR97 3.6 33.3 1.0 OG1 A:THR97 3.6 32.6 1.0 HA A:PRO93 3.7 29.8 1.0 C A:PRO93 3.7 29.1 1.0 C A:ASN96 3.8 28.2 1.0 O A:HOH361 3.8 37.7 1.0 HB3 A:PRO93 3.9 35.3 1.0 O A:HOH367 3.9 48.4 1.0 CL A:CL203 4.0 52.3 1.0 CA A:PRO93 4.1 24.8 1.0 H A:ASN96 4.1 33.5 1.0 HG23 A:THR97 4.3 37.6 1.0 CA A:THR97 4.3 27.8 1.0 CB A:PRO93 4.4 29.4 1.0 CB A:THR97 4.5 29.1 1.0 N A:THR97 4.5 26.4 1.0 HB2 A:PRO93 4.6 35.3 1.0 N A:ASN96 4.8 27.9 1.0 CA A:ASN96 4.9 27.9 1.0 N A:GLU94 4.9 31.0 1.0 CG2 A:THR97 4.9 31.4 1.0

Y.Jiang, S.Wang, J.Holcomb, L.Trescott, X.Guan, Y.Hou, J.Brunzelle, N.Sirinupong, C.Li, Z.Yang. Crystallographic Analysis of NHERF1-Plc Beta 3 Interaction Provides Structural Basis For CXCR2 Signaling in Pancreatic Cancer. Biochem.Biophys.Res.Commun. V. 446 638 2014.
ISSN: ISSN 0006-291X
PubMed: 24642259
DOI: 10.1016/J.BBRC.2014.03.028