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Magnesium in PDB 4byf: Crystal Structure of Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State

Enzymatic activity of Crystal Structure of Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State

All present enzymatic activity of Crystal Structure of Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State:
3.6.4.1;

Protein crystallography data

The structure of Crystal Structure of Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State, PDB code: 4byf was solved by S.Munnich, M.H.Taft, S.Pathan-Chhatbar, D.J.Manstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.94 / 2.74
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.580, 158.450, 114.340, 90.00, 91.56, 90.00
R / Rfree (%) 18.3 / 23.67

Other elements in 4byf:

The structure of Crystal Structure of Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State also contains other interesting chemical elements:

Vanadium (V) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State (pdb code 4byf). 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 Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State, PDB code: 4byf:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4byf

Go back to Magnesium Binding Sites List in 4byf
Magnesium binding site 1 out of 3 in the Crystal Structure of Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State


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 Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1000

b:17.9
occ:1.00
H2G1 A:AOV1001 1.4 14.8 1.0
OG1 A:THR112 1.7 22.1 1.0
O2G A:AOV1001 2.0 12.3 1.0
O A:HOH2010 2.1 11.0 1.0
O1B A:AOV1001 2.2 32.7 1.0
OG A:SER161 2.5 22.0 1.0
CB A:THR112 2.7 30.1 1.0
CB A:SER161 3.4 30.7 1.0
PB A:AOV1001 3.5 22.2 1.0
O2A A:AOV1001 3.5 12.9 1.0
CA A:THR112 3.7 32.2 1.0
N A:THR112 3.8 32.9 1.0
CG2 A:THR112 3.8 22.6 1.0
VG A:AOV1001 3.8 16.3 1.0
O3B A:AOV1001 3.9 38.1 1.0
N A:SER161 4.0 40.7 1.0
OD1 A:ASP386 4.0 79.9 1.0
CA A:SER161 4.3 33.1 1.0
PA A:AOV1001 4.3 19.9 1.0
OD2 A:ASP386 4.3 73.0 1.0
O A:HOH2015 4.4 51.1 1.0
O1A A:AOV1001 4.4 27.0 1.0
O3A A:AOV1001 4.4 27.6 1.0
O2B A:AOV1001 4.6 72.2 1.0
CG A:ASP386 4.6 68.3 1.0
O4G A:AOV1001 4.8 35.0 1.0
O1G A:AOV1001 4.8 24.9 1.0
ND2 A:ASN151 4.9 25.8 1.0
C A:LYS111 4.9 33.5 1.0
O A:ASN159 5.0 46.8 1.0
C A:SER160 5.0 40.1 1.0
ND2 A:ASN157 5.0 27.8 1.0
O A:ILE387 5.0 48.5 1.0

Magnesium binding site 2 out of 3 in 4byf

Go back to Magnesium Binding Sites List in 4byf
Magnesium binding site 2 out of 3 in the Crystal Structure of Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State


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 Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1000

b:23.6
occ:1.00
O2G C:AOV1001 1.6 40.6 1.0
O C:HOH2021 1.7 23.7 1.0
O C:HOH2019 1.9 16.4 1.0
OG1 C:THR112 2.1 26.5 1.0
O1B C:AOV1001 2.2 21.7 1.0
H2G1 C:AOV1001 2.3 48.7 1.0
OG C:SER161 2.6 33.6 1.0
CB C:THR112 3.2 42.8 1.0
CB C:SER161 3.2 38.5 1.0
VG C:AOV1001 3.3 35.6 1.0
PB C:AOV1001 3.4 27.0 1.0
O3B C:AOV1001 3.5 46.0 1.0
O2A C:AOV1001 3.8 55.5 1.0
N C:SER161 3.9 45.5 1.0
OD1 C:ASP386 3.9 83.8 1.0
O3G C:AOV1001 4.1 48.6 1.0
N C:THR112 4.1 44.9 1.0
O4G C:AOV1001 4.1 56.6 1.0
CA C:THR112 4.2 37.6 1.0
CA C:SER161 4.2 41.5 1.0
CG2 C:THR112 4.2 45.2 1.0
O2B C:AOV1001 4.3 44.8 1.0
OD2 C:ASP386 4.4 79.0 1.0
O C:HOH2020 4.5 36.6 1.0
O C:ILE387 4.5 43.3 1.0
O3A C:AOV1001 4.5 12.4 1.0
CG C:ASP386 4.6 77.2 1.0
PA C:AOV1001 4.7 40.8 1.0
ND2 C:ASN157 5.0 40.6 1.0
C C:SER160 5.0 46.3 1.0

Magnesium binding site 3 out of 3 in 4byf

Go back to Magnesium Binding Sites List in 4byf
Magnesium binding site 3 out of 3 in the Crystal Structure of Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State


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 Human Myosin 1C in Complex with Calmodulin in the Pre-Power Stroke State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1000

b:48.3
occ:1.00
OD1 D:ASP94 2.2 54.3 1.0
O D:TYR100 2.4 33.6 1.0
OD1 D:ASN98 2.4 54.2 1.0
OD2 D:ASP96 2.9 77.5 1.0
CG D:ASP94 3.2 42.6 1.0
O D:HOH2010 3.3 38.0 1.0
CG D:ASP96 3.3 76.3 1.0
CB D:ASP96 3.3 62.4 1.0
C D:TYR100 3.5 31.2 1.0
CG D:ASN98 3.5 55.2 1.0
N D:ASP96 3.6 51.8 1.0
OD2 D:ASP94 3.9 33.7 1.0
CA D:ASP96 4.0 50.1 1.0
N D:TYR100 4.1 35.9 1.0
N D:LYS95 4.1 42.8 1.0
ND2 D:ASN98 4.1 60.4 1.0
CB D:ASP94 4.2 31.2 1.0
CA D:TYR100 4.2 31.6 1.0
N D:GLY97 4.3 36.5 1.0
OD1 D:ASP96 4.3 85.9 1.0
CA D:ASP94 4.3 30.8 1.0
C D:ASP94 4.4 36.7 1.0
N D:ASN98 4.4 33.4 1.0
N D:ILE101 4.6 21.6 1.0
CB D:TYR100 4.6 24.0 1.0
C D:LYS95 4.7 45.8 1.0
C D:ASP96 4.7 43.1 1.0
CB D:ASN98 4.7 43.9 1.0
CA D:ILE101 4.8 30.9 1.0
N D:GLY99 4.8 30.6 1.0
CA D:LYS95 4.9 46.7 1.0
CG1 D:ILE101 5.0 39.5 1.0
CA D:ASN98 5.0 37.4 1.0

Reference:

S.Munnich, M.H.Taft, D.J.Manstein. Crystal Structure of Human Myosin 1C-the Motor in GLUT4 Exocytosis: Implications For Ca(2+) Regulation and 14-3-3 Binding. J.Mol.Biol. V. 426 2070 2014.
ISSN: ISSN 0022-2836
PubMed: 24636949
DOI: 10.1016/J.JMB.2014.03.004
Page generated: Mon Dec 14 09:13:08 2020

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