Magnesium in PDB 6bcb: A Complex Between pH Domain of P114RHOGEF and Activated Rhoa Bound to A Gtp Analog

The structure of A Complex Between pH Domain of P114RHOGEF and Activated Rhoa Bound to A Gtp Analog, PDB code: 6bcb was solved by P.C.Sternweis, Z.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.29 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.934, 60.039, 65.475, 90.00, 108.14, 90.00
R / Rfree (%)	13.6 / 16.5

The binding sites of Magnesium atom in the A Complex Between pH Domain of P114RHOGEF and Activated Rhoa Bound to A Gtp Analog (pdb code 6bcb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the A Complex Between pH Domain of P114RHOGEF and Activated Rhoa Bound to A Gtp Analog, PDB code: 6bcb:

Magnesium binding site 1 out of 1 in the A Complex Between pH Domain of P114RHOGEF and Activated Rhoa Bound to A Gtp Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Complex Between pH Domain of P114RHOGEF and Activated Rhoa Bound to A Gtp Analog within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg202 b:5.4 occ:1.00 HOG2 F:GSP201 1.3 6.6 1.0 O2G F:GSP201 2.0 5.5 1.0 OG1 F:THR19 2.1 5.6 1.0 O1B F:GSP201 2.1 5.3 1.0 O F:HOH341 2.1 5.4 1.0 OG1 F:THR37 2.1 5.2 1.0 O F:HOH376 2.1 6.0 1.0 HB F:THR37 3.0 7.7 1.0 CB F:THR37 3.1 6.4 1.0 HB F:THR19 3.1 6.8 1.0 CB F:THR19 3.1 5.7 1.0 PB F:GSP201 3.2 5.5 1.0 PG F:GSP201 3.3 5.5 1.0 H F:THR37 3.3 6.8 1.0 H F:THR19 3.3 6.3 1.0 O3B F:GSP201 3.4 7.0 1.0 N F:THR37 3.8 5.7 1.0 N F:THR19 3.9 5.2 1.0 O3G F:GSP201 4.0 7.1 1.0 HB2 F:LYS18 4.0 6.3 1.0 HG23 F:THR37 4.0 8.3 1.0 HG23 F:THR19 4.0 7.5 1.0 CA F:THR37 4.1 6.0 1.0 O1A F:GSP201 4.1 6.2 1.0 OD2 F:ASP59 4.1 6.9 1.0 CA F:THR19 4.1 5.2 1.0 O F:HOH348 4.1 12.5 1.0 OD1 F:ASP59 4.2 7.0 1.0 CG2 F:THR37 4.2 6.9 1.0 CG2 F:THR19 4.2 6.2 1.0 H21 F:EDO203 4.2 23.5 1.0 HE2 F:LYS18 4.3 9.0 1.0 O3A F:GSP201 4.3 4.7 1.0 HOG3 F:GSP201 4.3 8.5 1.0 O2B F:GSP201 4.3 6.3 1.0 HA F:PRO36 4.4 6.7 1.0 HA F:THR19 4.4 6.2 1.0 O F:VAL35 4.4 7.6 1.0 HA F:THR37 4.5 7.2 1.0 HE1 F:TYR34 4.5 7.6 1.0 CG F:ASP59 4.5 5.6 1.0 HG22 F:THR19 4.6 7.5 1.0 PA F:GSP201 4.6 5.4 1.0 HG22 F:THR37 4.6 8.3 1.0 O F:THR60 4.6 6.6 1.0 O2A F:GSP201 4.8 6.0 1.0 HZ1 F:LYS18 4.8 8.9 1.0 C F:PRO36 4.8 5.8 1.0 S1G F:GSP201 4.8 6.8 1.0 HG21 F:THR37 4.9 8.3 1.0 HZ3 F:LYS18 4.9 8.9 1.0 CB F:LYS18 5.0 5.2 1.0 HG21 F:THR19 5.0 7.5 1.0

Z.Chen, S.Gutowski, P.C.Sternweis. Crystal Structures of the pH Domains From Lbc Family of Rhogefs Bound to Activated Rhoa Gtpase. Data Brief V. 17 356 2018.
ISSN: ESSN 2352-3409
PubMed: 29876405
DOI: 10.1016/J.DIB.2018.01.024