Atomistry » Magnesium » PDB 3hwx-3i5f » 3hxt
Atomistry »
  Magnesium »
    PDB 3hwx-3i5f »
      3hxt »

Magnesium in PDB 3hxt: Structure of Human Mthfs

Enzymatic activity of Structure of Human Mthfs

All present enzymatic activity of Structure of Human Mthfs:
6.3.3.2;

Protein crystallography data

The structure of Structure of Human Mthfs, PDB code: 3hxt was solved by D.Wu, Y.Li, G.Song, C.Cheng, R.Zhang, A.Joachimiak, N.Shaw, Z.-J.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.94 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 48.705, 145.122, 59.218, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 25

Other elements in 3hxt:

The structure of Structure of Human Mthfs also contains other interesting chemical elements:

Nickel (Ni) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Human Mthfs (pdb code 3hxt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Structure of Human Mthfs, PDB code: 3hxt:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in 3hxt

Go back to Magnesium Binding Sites List in 3hxt
Magnesium binding site 1 out of 7 in the Structure of Human Mthfs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human Mthfs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg206

b:63.8
occ:1.00
CD2 A:PHE85 3.4 39.0 1.0
N A:PHE85 3.5 26.8 1.0
O A:TYR83 3.6 11.9 1.0
OE1 A:GLN86 3.8 39.9 1.0
CA A:ARG84 3.9 21.0 1.0
O A:HOH260 4.1 29.3 1.0
CE2 A:PHE85 4.2 40.8 1.0
C A:ARG84 4.2 23.3 1.0
CG A:PHE85 4.3 35.5 1.0
CB A:PHE85 4.3 31.6 1.0
C A:TYR83 4.5 13.1 1.0
CA A:PHE85 4.5 30.4 1.0
CD A:GLN86 4.6 39.3 1.0
NE2 A:GLN113 4.7 9.6 1.0
N A:ARG84 4.7 16.4 1.0
NE2 A:GLN86 4.7 41.1 1.0
O A:HOH251 4.9 25.5 1.0
CB A:ARG84 4.9 21.7 1.0

Magnesium binding site 2 out of 7 in 3hxt

Go back to Magnesium Binding Sites List in 3hxt
Magnesium binding site 2 out of 7 in the Structure of Human Mthfs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Human Mthfs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg208

b:41.9
occ:1.00
CB A:MET24 2.7 31.3 1.0
CG A:ARG29 3.8 33.9 1.0
CG A:PHE175 3.9 18.6 1.0
CD2 A:PHE175 3.9 18.2 1.0
OE1 A:GLU177 4.1 26.4 1.0
CD1 A:PHE175 4.1 17.5 1.0
CD A:GLU177 4.2 26.6 1.0
CE2 A:PHE175 4.2 18.0 1.0
CA A:MET24 4.2 31.5 1.0
CE1 A:PHE175 4.3 17.8 1.0
OE2 A:GLU177 4.3 27.2 1.0
CZ A:PHE175 4.3 18.3 1.0
CB A:PHE175 4.4 19.2 1.0
NE A:ARG29 4.5 47.4 1.0
NE2 A:GLN32 4.7 22.9 1.0
CG A:GLU28 4.7 29.8 1.0
O A:LEU21 4.7 37.1 1.0
CD A:ARG29 4.7 40.9 1.0
CA A:ARG29 4.8 27.7 1.0
CG A:GLU177 4.8 25.2 1.0
N A:ARG29 4.9 27.5 1.0
O A:HOH325 4.9 38.9 1.0
CB A:ARG29 4.9 28.7 1.0
N A:MET24 5.0 31.5 1.0
CB A:GLU177 5.0 24.4 1.0

Magnesium binding site 3 out of 7 in 3hxt

Go back to Magnesium Binding Sites List in 3hxt
Magnesium binding site 3 out of 7 in the Structure of Human Mthfs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Human Mthfs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg210

b:47.8
occ:1.00
O A:GLU61 2.9 14.6 1.0
O A:GLN59 3.7 23.4 1.0
O A:MET58 3.7 17.6 1.0
CD A:ARG29 3.9 40.9 1.0
C A:GLN59 4.1 23.2 1.0
C A:GLU61 4.1 15.7 1.0
CA A:GLN59 4.1 23.4 1.0
CB A:ARG29 4.2 28.7 1.0
OE1 A:GLN59 4.2 38.3 1.0
CB A:GLU63 4.3 16.3 1.0
N A:GLU63 4.3 15.0 1.0
N A:GLU61 4.5 19.2 1.0
CG A:ARG29 4.6 33.9 1.0
OE1 A:GLU63 4.6 18.8 1.0
CD A:GLN59 4.6 36.6 1.0
CA A:GLU63 4.6 15.8 1.0
CZ A:PHE175 4.7 18.3 1.0
C A:MET58 4.7 18.2 1.0
C A:ILE62 4.7 14.9 1.0
NE2 A:GLN59 4.8 38.5 1.0
N A:GLN59 4.9 20.6 1.0
CA A:GLU61 4.9 17.2 1.0
N A:ASP60 5.0 23.0 1.0

Magnesium binding site 4 out of 7 in 3hxt

Go back to Magnesium Binding Sites List in 3hxt
Magnesium binding site 4 out of 7 in the Structure of Human Mthfs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Human Mthfs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg211

b:43.9
occ:1.00
O A:HOH277 2.9 21.4 1.0
CD A:ARG159 3.0 19.9 1.0
ND1 A:HIS89 3.0 13.8 1.0
O A:MET90 3.2 12.3 1.0
NH1 A:ARG159 3.2 16.6 1.0
CE1 A:HIS89 3.6 12.8 1.0
N A:MET90 3.7 14.2 1.0
NE A:ARG159 3.9 17.9 1.0
CZ A:ARG159 3.9 15.8 1.0
CG A:HIS89 4.1 15.0 1.0
CA A:HIS89 4.2 18.0 1.0
C A:MET90 4.2 12.5 1.0
CG A:ARG159 4.2 20.7 1.0
CA A:TYR156 4.3 15.1 1.0
CD1 A:TYR156 4.3 9.9 1.0
N A:TYR156 4.4 16.8 1.0
C A:HIS89 4.5 15.9 1.0
O A:ALA155 4.5 18.0 1.0
C A:ALA155 4.6 18.6 1.0
CA A:MET90 4.6 13.1 1.0
CB A:HIS89 4.6 17.2 1.0
O A:ASN88 4.7 26.8 1.0
CB A:TYR156 4.7 13.7 1.0
CB A:ALA155 4.8 20.4 1.0
NE2 A:HIS89 4.8 12.0 1.0
CG A:MET90 4.8 14.0 1.0

Magnesium binding site 5 out of 7 in 3hxt

Go back to Magnesium Binding Sites List in 3hxt
Magnesium binding site 5 out of 7 in the Structure of Human Mthfs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of Human Mthfs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg212

b:46.9
occ:0.50
O A:LEU104 2.7 8.9 1.0
O A:HOH218 3.6 17.2 1.0
C A:LEU104 3.8 8.6 1.0
CD A:LYS106 3.8 21.9 1.0
CG A:LYS106 4.1 15.4 1.0
CA A:PRO105 4.2 9.4 1.0
O A:SER102 4.3 14.9 1.0
N A:PRO105 4.4 8.6 1.0
O A:LEU103 4.5 11.4 1.0
C A:LEU103 4.6 11.4 1.0
C A:PRO105 4.6 9.9 1.0
N A:LYS106 4.7 10.6 1.0
N A:LEU104 4.7 9.6 1.0
CA A:LEU104 4.9 8.6 1.0

Magnesium binding site 6 out of 7 in 3hxt

Go back to Magnesium Binding Sites List in 3hxt
Magnesium binding site 6 out of 7 in the Structure of Human Mthfs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure of Human Mthfs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg213

b:48.1
occ:1.00
O A:HOH237 3.3 17.3 1.0
NH2 A:ARG82 3.4 9.7 1.0
O A:HOH339 3.4 12.1 1.0
CZ A:ARG82 3.6 9.8 1.0
NH1 A:ARG82 3.9 8.2 1.0
NE A:ARG82 4.1 10.0 1.0
O A:HOH255 4.2 33.0 1.0
O A:HOH228 4.5 23.1 1.0
NI A:NI205 4.6 20.1 1.0
O A:HOH260 4.7 29.3 1.0
O A:HOH231 4.7 23.6 1.0
OE2 A:GLU122 4.8 11.7 1.0
OD2 A:ASP91 4.8 13.7 1.0

Magnesium binding site 7 out of 7 in 3hxt

Go back to Magnesium Binding Sites List in 3hxt
Magnesium binding site 7 out of 7 in the Structure of Human Mthfs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structure of Human Mthfs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg214

b:39.1
occ:1.00
O A:HOH263 2.6 36.8 1.0
N A:LEU181 3.1 29.3 1.0
CA A:CYS180 3.7 26.1 1.0
CB A:LEU181 3.8 31.5 1.0
CB A:CYS180 3.9 25.6 1.0
C A:CYS180 3.9 27.4 1.0
CA A:LEU181 4.0 31.0 1.0
OE2 A:GLU16 4.6 50.7 1.0
SG A:CYS180 4.7 26.2 1.0
N A:GLN182 4.7 30.8 1.0
NH2 A:ARG20 4.7 43.2 1.0
C A:LEU181 4.9 31.1 1.0
CD1 A:LEU13 5.0 22.6 1.0

Reference:

D.Wu, Y.Li, G.Song, C.Cheng, R.Zhang, A.Joachimiak, N.Shaw, Z.-J.Liu. Structural Basis For the Inhibition of Human 5,10-Methenyltetrahydrofolate Synthetase By N10-Substituted Folate Analogues Cancer Res. V. 69 7294 2009.
ISSN: ISSN 0008-5472
PubMed: 19738041
DOI: 10.1158/0008-5472.CAN-09-1927
Page generated: Mon Dec 14 08:15:03 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy