Magnesium in PDB 2hvw: Crystal Structure of Dcmp Deaminase From Streptococcus Mutans

All present enzymatic activity of Crystal Structure of Dcmp Deaminase From Streptococcus Mutans:
3.5.4.12;

The structure of Crystal Structure of Dcmp Deaminase From Streptococcus Mutans, PDB code: 2hvw was solved by H.F.Hou, Z.Q.Gao, L.F.Li, Y.H.Liang, X.D.Su, Y.H.Dong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.00 / 1.67
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	95.498, 99.657, 141.388, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 17.9

The structure of Crystal Structure of Dcmp Deaminase From Streptococcus Mutans also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Magnesium atom in the Crystal Structure of Dcmp Deaminase From Streptococcus Mutans (pdb code 2hvw). 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 Dcmp Deaminase From Streptococcus Mutans, PDB code: 2hvw:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Dcmp Deaminase From Streptococcus Mutans


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 Dcmp Deaminase From Streptococcus Mutans within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1101 b:18.9 occ:1.00 O1B A:DCP1201 2.0 18.3 1.0 O2G A:DCP1201 2.0 16.1 1.0 O1A A:DCP1201 2.0 17.5 1.0 O A:HOH1411 2.1 21.4 1.0 O A:HOH1609 2.2 21.1 1.0 O A:HOH1604 2.3 24.9 1.0 PB A:DCP1201 3.1 17.5 1.0 PG A:DCP1201 3.2 17.8 1.0 PA A:DCP1201 3.3 17.1 1.0 O3B A:DCP1201 3.5 18.6 1.0 O3A A:DCP1201 3.5 17.8 1.0 O1G A:DCP1201 3.7 18.4 1.0 O A:HOH1449 4.0 21.8 1.0 O A:HOH1645 4.0 47.9 1.0 ND2 A:ASN53 4.2 17.6 1.0 N A:ASP50 4.2 16.1 1.0 O A:HOH1440 4.2 26.4 1.0 O A:HOH1480 4.3 23.2 1.0 O A:HOH1630 4.3 43.2 1.0 O A:HOH1595 4.3 48.3 1.0 O5' A:DCP1201 4.3 16.4 1.0 O2A A:DCP1201 4.4 16.2 1.0 C5' A:DCP1201 4.4 16.0 1.0 O3G A:DCP1201 4.5 15.3 1.0 O2B A:DCP1201 4.5 16.9 1.0 O A:THR51 4.7 20.5 1.0 CA A:ASP50 4.8 17.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Dcmp Deaminase From Streptococcus Mutans


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 Dcmp Deaminase From Streptococcus Mutans within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1102 b:17.5 occ:1.00 O3G B:DCP1202 2.0 15.3 1.0 O1A B:DCP1202 2.0 16.4 1.0 O B:HOH1618 2.1 18.1 1.0 O2B B:DCP1202 2.1 16.3 1.0 O B:HOH1448 2.1 17.4 1.0 O B:HOH1615 2.2 17.2 1.0 PB B:DCP1202 3.1 16.7 1.0 PG B:DCP1202 3.2 16.4 1.0 PA B:DCP1202 3.3 17.9 1.0 O3B B:DCP1202 3.5 18.0 1.0 O3A B:DCP1202 3.6 18.6 1.0 O B:HOH1429 3.8 18.1 1.0 O2G B:DCP1202 3.8 18.5 1.0 N B:ASP50 4.1 16.2 1.0 O B:HOH1570 4.1 38.5 1.0 OD1 B:ASN53 4.1 18.5 1.0 O B:HOH1537 4.2 35.9 1.0 O B:HOH1468 4.2 22.6 1.0 O B:HOH1452 4.2 23.5 1.0 O5' B:DCP1202 4.3 18.2 1.0 O B:HOH1585 4.3 30.4 1.0 O2A B:DCP1202 4.4 18.3 1.0 C5' B:DCP1202 4.4 15.5 1.0 O1G B:DCP1202 4.5 15.2 1.0 O1B B:DCP1202 4.5 17.8 1.0 O B:THR51 4.6 16.6 1.0 CA B:ASP50 4.7 17.1 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Dcmp Deaminase From Streptococcus Mutans


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 Dcmp Deaminase From Streptococcus Mutans within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1103 b:18.6 occ:1.00 O1B C:DCP1203 2.0 18.1 1.0 O1G C:DCP1203 2.0 17.2 1.0 O1A C:DCP1203 2.0 17.7 1.0 O C:HOH1607 2.1 20.0 1.0 O C:HOH1610 2.1 19.5 1.0 O C:HOH1603 2.2 19.2 1.0 PB C:DCP1203 3.1 18.2 1.0 PG C:DCP1203 3.2 18.3 1.0 PA C:DCP1203 3.2 17.8 1.0 O3A C:DCP1203 3.5 18.6 1.0 O3B C:DCP1203 3.5 18.5 1.0 O C:HOH1432 3.8 20.5 1.0 O3G C:DCP1203 3.8 19.8 1.0 O C:HOH1631 4.1 36.6 1.0 N C:ASP50 4.1 17.0 1.0 O C:HOH1600 4.2 35.8 1.0 O C:HOH1453 4.2 25.1 1.0 OD1 C:ASN53 4.2 19.9 1.0 O C:HOH1477 4.2 23.8 1.0 O5' C:DCP1203 4.3 18.0 1.0 O2A C:DCP1203 4.3 18.1 1.0 C5' C:DCP1203 4.4 14.7 1.0 O C:HOH1527 4.4 40.2 1.0 O2G C:DCP1203 4.5 16.9 1.0 O2B C:DCP1203 4.5 18.8 1.0 O C:THR51 4.7 17.9 1.0 CA C:ASP50 4.7 18.0 1.0

H.F.Hou, Y.H.Liang, L.F.Li, X.D.Su, Y.H.Dong. Crystal Structures of Streptococcus Mutans 2'-Deoxycytidylate Deaminase and Its Complex with Substrate Analog and Allosteric Regulator Dctp X MG2+. J.Mol.Biol. V. 377 220 2008.
ISSN: ISSN 0022-2836
PubMed: 18255096
DOI: 10.1016/J.JMB.2007.12.064