Atomistry » Manganese » PDB 4u87-4wiu » 4umc
Atomistry »
  Manganese »
    PDB 4u87-4wiu »
      4umc »

Manganese in PDB 4umc: Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water

Enzymatic activity of Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water

All present enzymatic activity of Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water:
2.5.1.54;

Protein crystallography data

The structure of Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water, PDB code: 4umc was solved by L.C.Heyes, S.Reichau, P.J.Cross, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 75.99 / 2.34
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.421, 137.013, 76.476, 90.00, 96.48, 90.00
R / Rfree (%) 20.255 / 23.038

Manganese Binding Sites:

The binding sites of Manganese atom in the Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water (pdb code 4umc). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water, PDB code: 4umc:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 4umc

Go back to Manganese Binding Sites List in 4umc
Manganese binding site 1 out of 4 in the Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1350

b:28.4
occ:1.00
 OD2 A:ASP324 2.0 28.0 1.0
OE2 A:GLU304 2.1 29.3 1.0
O2' A:PEQ1352 2.3 36.5 1.0
NE2 A:HIS270 2.3 29.0 1.0
SG A:CYS63 2.6 31.0 1.0
CG A:ASP324 3.0 29.1 1.0
CD A:GLU304 3.1 28.5 1.0
C1 A:PEQ1352 3.1 39.3 1.0
CD2 A:HIS270 3.3 29.6 1.0
CE1 A:HIS270 3.3 28.9 1.0
OE1 A:GLU304 3.4 27.7 1.0
CB A:ASP324 3.5 30.2 1.0
CB A:CYS63 3.6 29.9 1.0
O1 A:PEQ1352 3.7 36.0 1.0
C2 A:PEQ1352 4.0 40.0 1.0
NZ A:LYS99 4.1 23.8 1.0
OD1 A:ASP324 4.1 28.8 1.0
C3 A:PEQ1352 4.1 40.8 1.0
O A:HOH2087 4.3 27.2 1.0
CA A:CYS63 4.3 29.9 1.0
NH2 A:ARG94 4.3 25.0 1.0
ND1 A:HIS270 4.4 30.3 1.0
CG A:HIS270 4.4 30.3 1.0
CG A:GLU304 4.4 28.4 1.0
O2 A:PEQ1352 4.5 39.6 1.0
CA A:ASP324 4.8 30.5 1.0
CE A:LYS99 4.9 23.7 1.0
N A:ASP324 4.9 29.1 1.0
O A:CYS63 4.9 29.0 1.0
C A:CYS63 5.0 30.3 1.0

Manganese binding site 2 out of 4 in 4umc

Go back to Manganese Binding Sites List in 4umc
Manganese binding site 2 out of 4 in the Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1351

b:36.6
occ:1.00
 OE2 B:GLU304 1.9 33.6 1.0
OD2 B:ASP324 2.0 37.2 1.0
O2' B:PEQ1352 2.3 44.9 1.0
NE2 B:HIS270 2.5 34.8 1.0
SG B:CYS63 2.6 31.2 1.0
CD B:GLU304 2.9 33.7 1.0
CG B:ASP324 3.0 38.7 1.0
C1 B:PEQ1352 3.3 46.8 1.0
OE1 B:GLU304 3.3 32.7 1.0
CD2 B:HIS270 3.3 35.4 1.0
CB B:ASP324 3.4 37.6 1.0
CB B:CYS63 3.5 33.1 1.0
CE1 B:HIS270 3.5 34.5 1.0
C3 B:PEQ1352 3.9 46.0 1.0
O1 B:PEQ1352 3.9 46.8 1.0
NZ B:LYS99 4.1 38.2 1.0
OD1 B:ASP324 4.1 39.5 1.0
CA B:CYS63 4.2 32.5 1.0
NH2 B:ARG94 4.2 33.0 1.0
C2 B:PEQ1352 4.2 43.3 1.0
CG B:GLU304 4.3 33.2 1.0
O B:HOH2064 4.3 33.9 1.0
O B:HOH2055 4.5 29.3 1.0
CG B:HIS270 4.5 36.3 1.0
ND1 B:HIS270 4.6 35.6 1.0
CA B:ASP324 4.6 38.2 1.0
N B:ASP324 4.7 38.3 1.0
O B:CYS63 4.9 32.5 1.0
O2 B:PEQ1352 4.9 41.4 1.0
C B:CYS63 4.9 32.3 1.0
CE B:LYS99 4.9 38.0 1.0

Manganese binding site 3 out of 4 in 4umc

Go back to Manganese Binding Sites List in 4umc
Manganese binding site 3 out of 4 in the Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn1350

b:39.2
occ:1.00
 OE2 C:GLU304 2.0 33.0 1.0
OD2 C:ASP324 2.0 42.5 1.0
O2' C:PEQ1351 2.3 41.6 1.0
NE2 C:HIS270 2.5 33.4 1.0
SG C:CYS63 2.6 37.5 1.0
CD C:GLU304 3.0 31.4 1.0
CG C:ASP324 3.1 44.8 1.0
C1 C:PEQ1351 3.3 44.3 1.0
CD2 C:HIS270 3.3 35.1 1.0
OE1 C:GLU304 3.3 30.7 1.0
CB C:ASP324 3.5 43.8 1.0
CB C:CYS63 3.5 37.6 1.0
CE1 C:HIS270 3.6 33.7 1.0
O1 C:PEQ1351 4.0 36.2 1.0
C3 C:PEQ1351 4.0 46.6 1.0
NZ C:LYS99 4.1 36.4 1.0
C2 C:PEQ1351 4.2 45.3 1.0
OD1 C:ASP324 4.2 46.4 1.0
CA C:CYS63 4.2 36.2 1.0
O C:HOH2055 4.2 33.4 1.0
NH2 C:ARG94 4.2 33.9 1.0
CG C:GLU304 4.3 30.4 1.0
CG C:HIS270 4.5 36.3 1.0
O2 C:PEQ1351 4.6 47.3 1.0
ND1 C:HIS270 4.6 34.5 1.0
CA C:ASP324 4.8 43.9 1.0
N C:ASP324 4.8 43.2 1.0
O C:CYS63 4.8 36.0 1.0
C C:CYS63 4.9 36.3 1.0
CE C:LYS99 4.9 37.4 1.0
CZ C:ARG94 4.9 33.8 1.0

Manganese binding site 4 out of 4 in 4umc

Go back to Manganese Binding Sites List in 4umc
Manganese binding site 4 out of 4 in the Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn1350

b:40.8
occ:1.00
 OD2 D:ASP324 1.9 36.2 1.0
OE2 D:GLU304 2.1 39.5 1.0
O2' D:PEQ1352 2.1 38.0 1.0
SG D:CYS63 2.5 39.4 1.0
NE2 D:HIS270 2.6 36.1 1.0
CG D:ASP324 2.9 37.4 1.0
CD D:GLU304 3.1 38.6 1.0
C1 D:PEQ1352 3.3 39.6 1.0
CB D:ASP324 3.3 38.7 1.0
OE1 D:GLU304 3.4 36.7 1.0
CD2 D:HIS270 3.4 35.9 1.0
CB D:CYS63 3.5 41.7 1.0
CE1 D:HIS270 3.6 37.3 1.0
C3 D:PEQ1352 3.6 43.8 1.0
NZ D:LYS99 4.0 36.5 1.0
C2 D:PEQ1352 4.0 42.4 1.0
OD1 D:ASP324 4.1 38.7 1.0
CA D:CYS63 4.2 41.4 1.0
O D:HOH2038 4.2 33.7 1.0
O1 D:PEQ1352 4.2 39.5 1.0
NH2 D:ARG94 4.3 42.3 1.0
CG D:GLU304 4.4 39.3 1.0
CA D:ASP324 4.6 38.8 1.0
CG D:HIS270 4.6 37.1 1.0
ND1 D:HIS270 4.6 36.8 1.0
N D:ASP324 4.7 37.9 1.0
O2 D:PEQ1352 4.7 43.6 1.0
CE D:LYS99 4.8 36.6 1.0
O D:CYS63 4.8 42.8 1.0
C D:CYS63 4.9 40.8 1.0

Reference:

L.C.Heyes, S.Reichau, P.J.Cross, G.B.Jameson, E.J.Parker. Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino- Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water. Bioorg.Chem. 2014.
ISSN: ESSN 1090-2120
PubMed: 25245459
DOI: 10.1016/J.BIOORG.2014.08.003
Page generated: Sat Oct 5 21:21:14 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy