Atomistry » Chlorine » PDB 4xpf-4y14 » 4xvz
Atomistry »
  Chlorine »
    PDB 4xpf-4y14 »
      4xvz »

Chlorine in PDB 4xvz: Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg

Enzymatic activity of Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg

All present enzymatic activity of Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg:
2.1.1.237;

Protein crystallography data

The structure of Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg, PDB code: 4xvz was solved by D.L.Akey, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.60 / 2.49
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 123.864, 148.587, 66.855, 90.00, 120.23, 90.00
R / Rfree (%) 17.8 / 21.7

Other elements in 4xvz:

The structure of Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg (pdb code 4xvz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg, PDB code: 4xvz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4xvz

Go back to Chlorine Binding Sites List in 4xvz
Chlorine binding site 1 out of 4 in the Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:91.0
occ:1.00
OD2 A:ASP113 2.3 79.1 1.0
O A:VAL86 2.8 61.6 1.0
CG A:ASP113 3.4 63.8 1.0
OD1 A:ASP113 3.9 62.4 1.0
C A:VAL86 4.0 59.1 1.0
O A:THR145 4.2 85.8 1.0
CB A:THR145 4.3 0.1 1.0
N A:PHE115 4.3 66.3 1.0
CA A:PHE115 4.4 70.8 1.0
CB A:ASP113 4.7 55.8 1.0
O A:TRP87 4.7 55.0 1.0
OG1 A:THR145 4.9 89.6 1.0
N A:VAL86 4.9 50.2 1.0
CD1 A:PHE115 4.9 62.3 1.0
CA A:THR145 4.9 92.3 1.0
N A:TRP87 5.0 61.0 1.0
CA A:VAL86 5.0 56.6 1.0

Chlorine binding site 2 out of 4 in 4xvz

Go back to Chlorine Binding Sites List in 4xvz
Chlorine binding site 2 out of 4 in the Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:83.8
occ:1.00
OD2 B:ASP113 2.4 98.9 1.0
O B:VAL86 2.5 84.2 1.0
CG B:ASP113 3.3 89.4 1.0
OD1 B:ASP113 3.6 91.0 1.0
C B:VAL86 3.6 75.0 1.0
N B:VAL86 4.4 65.1 1.0
N B:TRP87 4.6 77.2 1.0
CA B:VAL86 4.6 71.1 1.0
CA B:TRP87 4.7 81.4 1.0
O B:TRP87 4.7 75.7 1.0
CB B:THR145 4.7 0.3 1.0
CB B:ASP113 4.7 80.2 1.0
N B:PHE115 4.8 89.1 1.0
O B:THR145 4.9 0.2 1.0

Chlorine binding site 3 out of 4 in 4xvz

Go back to Chlorine Binding Sites List in 4xvz
Chlorine binding site 3 out of 4 in the Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:82.1
occ:1.00
OD2 C:ASP113 2.5 59.9 1.0
O C:VAL86 2.7 63.6 1.0
CG C:ASP113 3.4 53.8 1.0
OD1 C:ASP113 3.7 55.4 1.0
C C:VAL86 3.9 56.1 1.0
CB C:THR145 4.6 0.3 1.0
N C:VAL86 4.6 47.6 1.0
N C:PHE115 4.7 63.0 1.0
O C:THR145 4.7 86.8 1.0
N C:TRP87 4.8 60.0 1.0
CB C:ASP113 4.8 49.8 1.0
O C:TRP87 4.8 57.4 1.0
CA C:VAL86 4.8 54.7 1.0
CA C:TRP87 4.9 64.8 1.0
CA C:PHE115 4.9 70.3 1.0

Chlorine binding site 4 out of 4 in 4xvz

Go back to Chlorine Binding Sites List in 4xvz
Chlorine binding site 4 out of 4 in the Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mycf Mycinamicin III 3'-O-Methyltransferase in Complex with Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:86.8
occ:1.00
O D:VAL86 2.5 89.6 1.0
OD2 D:ASP113 2.7 80.2 1.0
OD1 D:ASP113 3.3 72.1 1.0
CG D:ASP113 3.4 71.8 1.0
C D:VAL86 3.6 77.9 1.0
N D:VAL86 4.1 66.3 1.0
CA D:VAL86 4.4 71.0 1.0
N D:TRP87 4.5 77.8 1.0
CA D:TRP87 4.7 81.4 1.0
CB D:ASP113 4.8 68.2 1.0

Reference:

S.M.Bernard, D.L.Akey, A.Tripathi, S.R.Park, J.R.Konwerski, Y.Anzai, S.Li, F.Kato, D.H.Sherman, J.L.Smith. Structural Basis of Substrate Specificity and Regiochemistry in the Mycf/Tylf Family of Sugar O-Methyltransferases. Acs Chem.Biol. 2015.
ISSN: ESSN 1554-8937
PubMed: 25692963
DOI: 10.1021/CB5009348
Page generated: Fri Jul 26 03:42:20 2024

Last articles

Ca in 5LIA
Ca in 5LDT
Ca in 5LH8
Ca in 5LH4
Ca in 5LGO
Ca in 5LFC
Ca in 5LF2
Ca in 5LDV
Ca in 5LBI
Ca in 5LA2
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy