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Magnesium in PDB 1p31: Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae

Enzymatic activity of Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae

All present enzymatic activity of Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae:
6.3.2.8;

Protein crystallography data

The structure of Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae, PDB code: 1p31 was solved by C.D.Mol, A.Brooun, D.R.Dougan, M.T.Hilgers, L.W.Tari, R.A.Wijnands, M.W.Knuth, D.E.Mcree, R.V.Swanson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.523, 92.274, 118.174, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 20.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae (pdb code 1p31). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae, PDB code: 1p31:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1p31

Go back to Magnesium Binding Sites List in 1p31
Magnesium binding site 1 out of 4 in the Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae


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 Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg776

b:42.6
occ:1.00
 O A:HOH1089 2.0 33.8 1.0
O A:HOH1090 2.0 31.9 1.0
O1E A:EPU598 2.2 43.2 1.0
NE2 A:HIS198 2.4 30.6 1.0
O A:HOH1014 2.4 38.0 1.0
C1E A:EPU598 3.2 43.7 1.0
CE1 A:HIS198 3.3 30.7 1.0
CD2 A:HIS198 3.4 31.0 1.0
O2E A:EPU598 3.5 44.0 1.0
NZ A:LYS129 4.0 12.6 1.0
OE1 A:GLU176 4.1 13.4 1.0
O A:HOH876 4.1 48.8 1.0
OD1 A:ASP197 4.1 31.0 1.0
O A:THR126 4.3 9.2 1.0
ND1 A:HIS198 4.4 30.8 1.0
OE2 A:GLU176 4.5 13.2 1.0
CG A:HIS198 4.5 30.9 1.0
C2E A:EPU598 4.5 42.8 1.0
CD A:GLU176 4.6 14.6 1.0
OD1 A:ASP175 4.7 16.1 1.0
CG A:ASP197 4.7 29.6 1.0
C3E A:EPU598 4.9 43.3 1.0

Magnesium binding site 2 out of 4 in 1p31

Go back to Magnesium Binding Sites List in 1p31
Magnesium binding site 2 out of 4 in the Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae


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 Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg611

b:30.3
occ:1.00
 O A:HOH1060 2.0 26.5 1.0
O A:HOH1059 2.1 26.8 1.0
O A:HOH962 2.1 22.4 1.0
O A:HOH1061 2.2 25.6 1.0
O A:HOH1058 2.3 30.1 1.0
O A:VAL395 4.1 9.2 1.0
O A:LYS428 4.2 12.7 1.0
O A:GLN394 4.2 11.7 1.0
O A:SER393 4.3 11.4 1.0
OD1 A:ASP396 4.4 12.1 1.0
O A:HOH1062 4.5 34.3 1.0
O A:HOH1099 4.6 37.3 1.0
C A:GLN394 4.7 11.0 1.0
O A:HOH961 4.7 40.6 1.0
C A:VAL395 4.8 9.5 1.0
CB A:LYS428 4.8 12.7 1.0
C A:LYS428 4.9 12.7 1.0

Magnesium binding site 3 out of 4 in 1p31

Go back to Magnesium Binding Sites List in 1p31
Magnesium binding site 3 out of 4 in the Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae


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 Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg710

b:42.7
occ:1.00
 O B:HOH1149 1.9 39.5 1.0
O B:HOH1152 2.0 37.2 1.0
O B:HOH1150 2.0 33.0 1.0
O B:HOH1148 2.4 39.2 1.0
O B:HOH1151 2.6 45.4 1.0
O B:LYS428 4.2 13.2 1.0
O B:SER393 4.4 11.9 1.0
O B:VAL395 4.5 10.6 1.0
CB B:LYS428 4.5 14.0 1.0
O B:HOH935 4.5 37.4 1.0
NZ B:LYS428 4.7 23.5 1.0
OD1 B:ASP396 4.7 10.9 1.0
C B:LYS428 4.8 13.2 1.0
CG B:LYS428 4.9 15.7 1.0

Magnesium binding site 4 out of 4 in 1p31

Go back to Magnesium Binding Sites List in 1p31
Magnesium binding site 4 out of 4 in the Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:18.0
occ:1.00
 O B:HOH732 2.0 28.3 1.0
O B:HOH736 2.1 23.2 1.0
O B:HOH737 2.1 19.6 1.0
O1E B:EPU602 2.1 30.1 1.0
NE2 B:HIS198 2.2 8.8 1.0
O B:HOH735 2.2 22.6 1.0
CE1 B:HIS198 3.1 8.9 1.0
CD2 B:HIS198 3.2 8.3 1.0
C1E B:EPU602 3.2 29.6 1.0
O2E B:EPU602 3.6 31.8 1.0
NZ B:LYS129 4.0 12.7 1.0
OE1 B:GLU176 4.0 12.4 1.0
O B:THR126 4.2 9.6 1.0
OD1 B:ASP197 4.2 14.5 1.0
ND1 B:HIS198 4.2 8.2 1.0
OE2 B:GLU176 4.3 12.9 1.0
CG B:HIS198 4.3 9.7 1.0
OD1 B:ASP175 4.4 15.7 1.0
O B:HOH733 4.4 25.0 1.0
C2E B:EPU602 4.5 28.8 1.0
CD B:GLU176 4.5 13.6 1.0
NE2 B:HIS348 4.6 10.2 1.0
O B:HOH734 4.6 35.6 1.0
CB B:SER177 4.7 10.0 1.0
C3E B:EPU602 4.7 27.8 1.0
O B:HOH1141 4.8 44.3 1.0
CE B:LYS129 5.0 12.5 1.0

Reference:

C.D.Mol, A.Brooun, D.R.Dougan, M.T.Hilgers, L.W.Tari, R.A.Wijnands, M.W.Knuth, D.E.Mcree, R.V.Swanson. Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of Udp-N-Acetylmuramic Acid:L-Alanine Ligase (Murc) From Haemophilus Influenzae. J.Bacteriol. V. 185 4152 2003.
ISSN: ISSN 0021-9193
PubMed: 12837790
DOI: 10.1128/JB.185.14.4152-4162.2003
Page generated: Tue Aug 13 10:47:24 2024

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