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Magnesium in PDB 2hv8: Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3

Protein crystallography data

The structure of Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3, PDB code: 2hv8 was solved by S.Eathiraj, A.Mishra, R.Prekeris, D.G.Lambright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.86
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 218.291, 52.601, 70.679, 90.00, 105.56, 90.00
R / Rfree (%) 20.3 / 23.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3 (pdb code 2hv8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3, PDB code: 2hv8:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 2hv8

Go back to Magnesium Binding Sites List in 2hv8
Magnesium binding site 1 out of 3 in the Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:20.4
occ:1.00
O2G A:GTP200 2.0 17.6 1.0
O2B A:GTP200 2.0 19.2 1.0
O A:HOH2002 2.0 18.3 1.0
OG A:SER25 2.1 20.6 1.0
OG1 A:THR43 2.2 19.9 1.0
O A:HOH2004 2.2 17.8 1.0
PG A:GTP200 3.1 20.2 1.0
PB A:GTP200 3.2 20.4 1.0
CB A:SER25 3.2 19.6 1.0
CB A:THR43 3.3 20.4 1.0
O3B A:GTP200 3.4 19.6 1.0
N A:THR43 3.8 21.1 1.0
O3G A:GTP200 3.9 19.1 1.0
N A:SER25 4.0 19.4 1.0
OD2 A:ASP66 4.0 19.2 1.0
O A:HOH2015 4.1 20.1 1.0
CA A:THR43 4.1 20.4 1.0
O2A A:GTP200 4.2 20.9 1.0
CA A:SER25 4.2 19.8 1.0
OD1 A:ASP66 4.2 19.2 1.0
O1B A:GTP200 4.2 19.3 1.0
O3A A:GTP200 4.3 19.6 1.0
O1G A:GTP200 4.3 19.4 1.0
CG2 A:THR43 4.5 19.7 1.0
CG A:ASP66 4.5 18.9 1.0
PA A:GTP200 4.6 20.6 1.0
O A:LYS41 4.7 23.3 1.0
O1A A:GTP200 4.7 19.6 1.0
C A:SER42 4.7 21.9 1.0
O A:THR67 4.8 17.6 1.0
O A:HOH2084 4.9 33.0 1.0
CB A:LYS24 4.9 18.4 1.0
CA A:ALA68 5.0 18.1 1.0
CA A:SER42 5.0 22.6 1.0

Magnesium binding site 2 out of 3 in 2hv8

Go back to Magnesium Binding Sites List in 2hv8
Magnesium binding site 2 out of 3 in the Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg201

b:20.9
occ:1.00
O2G B:GTP200 2.0 18.6 1.0
O B:HOH2010 2.0 18.5 1.0
OG1 B:THR43 2.1 21.9 1.0
O2B B:GTP200 2.1 19.1 1.0
OG B:SER25 2.2 19.3 1.0
O B:HOH2005 2.2 18.4 1.0
PG B:GTP200 3.1 20.3 1.0
CB B:THR43 3.2 22.2 1.0
PB B:GTP200 3.3 19.2 1.0
CB B:SER25 3.3 18.6 1.0
O3B B:GTP200 3.4 19.4 1.0
N B:THR43 3.6 22.9 1.0
O3G B:GTP200 3.9 19.2 1.0
CA B:THR43 3.9 22.4 1.0
O B:HOH2011 4.0 20.8 1.0
OD2 B:ASP66 4.1 19.1 1.0
N B:SER25 4.1 18.6 1.0
OD1 B:ASP66 4.2 19.2 1.0
O2A B:GTP200 4.2 20.7 1.0
CA B:SER25 4.3 18.6 1.0
O1B B:GTP200 4.3 19.3 1.0
O1G B:GTP200 4.3 19.5 1.0
O3A B:GTP200 4.4 19.6 1.0
CG2 B:THR43 4.4 21.6 1.0
CG B:ASP66 4.6 19.4 1.0
C B:SER42 4.6 23.9 1.0
O B:LYS41 4.6 24.9 1.0
O B:THR67 4.7 19.9 1.0
PA B:GTP200 4.7 19.1 1.0
O B:HOH2106 4.7 30.1 1.0
O1A B:GTP200 4.8 19.6 1.0
CA B:ALA68 4.9 20.6 1.0
CA B:SER42 4.9 24.5 1.0
C B:THR67 4.9 20.1 1.0
N B:ALA68 5.0 20.3 1.0
CB B:LYS24 5.0 18.8 1.0

Magnesium binding site 3 out of 3 in 2hv8

Go back to Magnesium Binding Sites List in 2hv8
Magnesium binding site 3 out of 3 in the Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Gtp-Bound RAB11 in Complex with FIP3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg201

b:23.6
occ:1.00
O2G C:GTP200 2.0 20.0 1.0
O C:HOH2007 2.1 17.0 1.0
OG1 C:THR43 2.1 23.4 1.0
O2B C:GTP200 2.1 20.8 1.0
OG C:SER25 2.2 22.5 1.0
O C:HOH2006 2.3 21.6 1.0
PG C:GTP200 3.2 21.5 1.0
CB C:THR43 3.3 24.4 1.0
PB C:GTP200 3.3 21.4 1.0
CB C:SER25 3.3 22.3 1.0
O3B C:GTP200 3.4 22.1 1.0
N C:THR43 3.7 25.1 1.0
O3G C:GTP200 3.9 22.4 1.0
OD2 C:ASP66 4.0 23.8 1.0
N C:SER25 4.0 22.0 1.0
CA C:THR43 4.0 24.6 1.0
O C:HOH2045 4.1 25.4 1.0
O2A C:GTP200 4.1 22.9 1.0
OD1 C:ASP66 4.2 22.6 1.0
CA C:SER25 4.2 22.2 1.0
O1B C:GTP200 4.3 22.0 1.0
O1G C:GTP200 4.3 21.8 1.0
O3A C:GTP200 4.4 21.8 1.0
CG2 C:THR43 4.4 23.9 1.0
CG C:ASP66 4.5 23.5 1.0
O C:LYS41 4.6 27.9 1.0
PA C:GTP200 4.6 23.0 1.0
O C:THR67 4.7 21.9 1.0
C C:SER42 4.7 26.0 1.0
O1A C:GTP200 4.8 22.0 1.0
CA C:SER42 4.9 26.4 1.0
C C:THR67 4.9 22.1 1.0
CA C:ALA68 5.0 21.6 1.0
CE C:LYS24 5.0 19.4 1.0

Reference:

S.Eathiraj, A.Mishra, R.Prekeris, D.G.Lambright. Structural Basis For RAB11-Mediated Recruitment of FIP3 to Recycling Endosomes. J.Mol.Biol. V. 364 121 2006.
ISSN: ISSN 0022-2836
PubMed: 17007872
DOI: 10.1016/J.JMB.2006.08.064
Page generated: Mon Dec 14 07:26:29 2020

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