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: Tue Aug 13 23:59:26 2024
|