Magnesium in PDB 6bca: A Complex Between pH Domain of Lbcrhogef (Akap-Lbc) and Activated Rhoa Bound to A Gtp Analog

The structure of A Complex Between pH Domain of Lbcrhogef (Akap-Lbc) and Activated Rhoa Bound to A Gtp Analog, PDB code: 6bca 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)	34.21 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.346, 60.525, 63.618, 91.83, 92.97, 90.01
R / Rfree (%)	19.6 / 23.4

The binding sites of Magnesium atom in the A Complex Between pH Domain of Lbcrhogef (Akap-Lbc) and Activated Rhoa Bound to A Gtp Analog (pdb code 6bca). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the A Complex Between pH Domain of Lbcrhogef (Akap-Lbc) and Activated Rhoa Bound to A Gtp Analog, PDB code: 6bca:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the A Complex Between pH Domain of Lbcrhogef (Akap-Lbc) 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 Lbcrhogef (Akap-Lbc) and Activated Rhoa Bound to A Gtp Analog within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg201 b:10.5 occ:1.00 HOG2 F:GSP202 1.3 12.0 1.0 O2G F:GSP202 2.0 10.0 1.0 O1B F:GSP202 2.1 10.1 1.0 O F:HOH349 2.1 9.8 1.0 OG1 F:THR37 2.1 9.9 1.0 OG1 F:THR19 2.2 13.4 1.0 O F:HOH364 2.2 10.8 1.0 HB F:THR37 3.0 11.8 1.0 HB F:THR19 3.0 15.2 1.0 CB F:THR37 3.1 9.8 1.0 PB F:GSP202 3.1 10.2 1.0 PG F:GSP202 3.1 13.2 1.0 CB F:THR19 3.2 12.7 1.0 H F:THR37 3.2 13.8 1.0 O3B F:GSP202 3.2 13.1 1.0 H F:THR19 3.3 12.5 1.0 N F:THR37 3.7 11.5 1.0 O3G F:GSP202 3.8 10.1 1.0 N F:THR19 4.0 10.4 1.0 CA F:THR37 4.0 9.9 1.0 O1A F:GSP202 4.1 10.2 1.0 HG21 F:THR37 4.1 18.5 1.0 HB2 F:LYS18 4.1 12.2 1.0 HOG3 F:GSP202 4.1 12.1 1.0 CA F:THR19 4.1 10.1 1.0 O F:HOH324 4.1 11.4 1.0 HG21 F:THR19 4.1 12.1 1.0 HE2 F:LYS18 4.1 11.9 1.0 HA F:PRO36 4.2 12.1 1.0 CG2 F:THR37 4.2 15.4 1.0 O3A F:GSP202 4.2 10.3 1.0 OD1 F:ASP59 4.2 9.8 1.0 O2B F:GSP202 4.2 11.9 1.0 OD2 F:ASP59 4.2 9.9 1.0 CG2 F:THR19 4.3 10.1 1.0 O F:VAL35 4.4 10.1 1.0 HE1 F:TYR34 4.5 12.4 1.0 HA F:THR19 4.5 12.1 1.0 HA F:THR37 4.5 11.9 1.0 PA F:GSP202 4.5 10.3 1.0 CG F:ASP59 4.6 10.0 1.0 O F:THR60 4.6 10.4 1.0 HG23 F:THR37 4.6 18.5 1.0 HG23 F:THR19 4.7 12.1 1.0 C F:PRO36 4.7 13.1 1.0 S1G F:GSP202 4.7 10.8 1.0 O2A F:GSP202 4.8 10.3 1.0 CA F:PRO36 4.9 10.1 1.0 HG22 F:THR37 4.9 18.5 1.0 O F:HOH303 5.0 22.0 1.0

Magnesium binding site 2 out of 2 in the A Complex Between pH Domain of Lbcrhogef (Akap-Lbc) 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 2 of A Complex Between pH Domain of Lbcrhogef (Akap-Lbc) and Activated Rhoa Bound to A Gtp Analog within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:10.7 occ:1.00 HOG2 C:GSP202 1.3 12.8 1.0 O2B C:GSP202 2.0 10.8 1.0 O2G C:GSP202 2.0 10.6 1.0 O C:HOH332 2.1 13.7 1.0 OG1 C:THR19 2.2 10.8 1.0 O C:HOH340 2.2 11.1 1.0 OG1 C:THR37 2.2 10.7 1.0 HB C:THR37 3.0 12.6 1.0 HB C:THR19 3.0 13.2 1.0 PB C:GSP202 3.1 10.8 1.0 PG C:GSP202 3.1 10.6 1.0 CB C:THR37 3.1 10.5 1.0 CB C:THR19 3.2 11.0 1.0 H C:THR37 3.2 12.8 1.0 O3B C:GSP202 3.2 16.7 1.0 H C:THR19 3.4 12.9 1.0 N C:THR37 3.8 10.7 1.0 O3G C:GSP202 3.8 10.7 1.0 O2A C:GSP202 4.0 11.3 1.0 N C:THR19 4.0 10.8 1.0 CA C:THR37 4.0 10.6 1.0 O C:HOH309 4.1 11.0 1.0 O3A C:GSP202 4.1 11.1 1.0 CA C:THR19 4.1 10.9 1.0 HG22 C:THR37 4.1 21.3 1.0 HG22 C:THR19 4.2 13.4 1.0 O1B C:GSP202 4.2 10.7 1.0 HB2 C:LYS18 4.2 16.8 1.0 HOG3 C:GSP202 4.2 12.8 1.0 HA C:PRO36 4.2 13.2 1.0 OD1 C:ASP59 4.2 10.4 1.0 OD2 C:ASP59 4.2 10.7 1.0 CG2 C:THR37 4.3 17.7 1.0 CG2 C:THR19 4.3 11.2 1.0 O C:VAL35 4.4 11.2 1.0 HZ2 C:LYS18 4.4 16.6 1.0 HE1 C:TYR34 4.4 13.7 1.0 HZ1 C:LYS18 4.4 16.6 1.0 HA C:THR19 4.4 13.1 1.0 PA C:GSP202 4.5 11.3 1.0 HA C:THR37 4.5 12.7 1.0 CG C:ASP59 4.6 10.5 1.0 S1G C:GSP202 4.6 11.9 1.0 O C:THR60 4.6 10.1 1.0 HE2 C:LYS18 4.6 12.3 1.0 O1A C:GSP202 4.7 11.2 1.0 HG21 C:THR37 4.7 21.3 1.0 HG21 C:THR19 4.7 13.4 1.0 C C:PRO36 4.7 10.8 1.0 NZ C:LYS18 4.8 13.9 1.0 CA C:PRO36 5.0 11.0 1.0 HG23 C:THR37 5.0 21.3 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