Manganese in PDB 3bg3: Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus)
Enzymatic activity of Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus)
All present enzymatic activity of Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus):
6.4.1.1;
Protein crystallography data
The structure of Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus), PDB code: 3bg3
was solved by
S.Xiang,
L.Tong,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.80
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.274,
173.321,
118.194,
90.00,
95.87,
90.00
|
R / Rfree (%)
|
21.6 /
27.1
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus)
(pdb code 3bg3). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the
Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus), PDB code: 3bg3:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 3bg3
Go back to
Manganese Binding Sites List in 3bg3
Manganese binding site 1 out
of 4 in the Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn2001
b:72.0
occ:1.00
|
OQ1
|
A:KCX741
|
2.0
|
66.8
|
1.0
|
OD1
|
A:ASP572
|
2.1
|
59.4
|
1.0
|
NE2
|
A:HIS773
|
2.2
|
58.9
|
1.0
|
NE2
|
A:HIS771
|
2.3
|
58.3
|
1.0
|
OQ2
|
A:KCX741
|
2.4
|
67.2
|
1.0
|
CX
|
A:KCX741
|
2.6
|
67.1
|
1.0
|
CE1
|
A:HIS771
|
3.0
|
58.9
|
1.0
|
CG
|
A:ASP572
|
3.1
|
58.5
|
1.0
|
CE1
|
A:HIS773
|
3.2
|
57.7
|
1.0
|
CD2
|
A:HIS773
|
3.2
|
58.7
|
1.0
|
OD2
|
A:ASP572
|
3.4
|
58.8
|
1.0
|
CD2
|
A:HIS771
|
3.4
|
60.4
|
1.0
|
NZ
|
A:KCX741
|
3.9
|
67.8
|
1.0
|
O3
|
A:PYR2000
|
4.2
|
75.4
|
1.0
|
ND1
|
A:HIS771
|
4.2
|
58.9
|
1.0
|
ND1
|
A:HIS773
|
4.3
|
57.0
|
1.0
|
OE1
|
A:GLN807
|
4.3
|
54.9
|
1.0
|
CG
|
A:HIS773
|
4.3
|
56.2
|
1.0
|
CB
|
A:ASP572
|
4.4
|
57.5
|
1.0
|
NE2
|
A:GLN807
|
4.5
|
54.5
|
1.0
|
CG
|
A:HIS771
|
4.5
|
59.7
|
1.0
|
NH2
|
A:ARG571
|
4.5
|
55.0
|
1.0
|
CA
|
A:MET743
|
4.8
|
65.0
|
1.0
|
CD
|
A:GLN807
|
4.8
|
53.5
|
1.0
|
CB
|
A:MET743
|
5.0
|
66.0
|
1.0
|
CE
|
A:KCX741
|
5.0
|
69.6
|
1.0
|
|
Manganese binding site 2 out
of 4 in 3bg3
Go back to
Manganese Binding Sites List in 3bg3
Manganese binding site 2 out
of 4 in the Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn2001
b:69.0
occ:1.00
|
NE2
|
B:HIS773
|
2.2
|
59.9
|
1.0
|
OD1
|
B:ASP572
|
2.3
|
63.5
|
1.0
|
OQ1
|
B:KCX741
|
2.3
|
65.5
|
1.0
|
OQ2
|
B:KCX741
|
2.3
|
65.5
|
1.0
|
NE2
|
B:HIS771
|
2.4
|
59.9
|
1.0
|
CX
|
B:KCX741
|
2.7
|
65.1
|
1.0
|
CE1
|
B:HIS773
|
3.1
|
58.7
|
1.0
|
CE1
|
B:HIS771
|
3.1
|
59.3
|
1.0
|
CG
|
B:ASP572
|
3.1
|
60.0
|
1.0
|
OD2
|
B:ASP572
|
3.2
|
61.5
|
1.0
|
CD2
|
B:HIS773
|
3.3
|
59.9
|
1.0
|
O3
|
B:PYR2000
|
3.4
|
72.9
|
1.0
|
CD2
|
B:HIS771
|
3.6
|
62.0
|
1.0
|
NZ
|
B:KCX741
|
4.0
|
64.9
|
1.0
|
OE1
|
B:GLN807
|
4.0
|
58.8
|
1.0
|
NH2
|
B:ARG571
|
4.2
|
58.0
|
1.0
|
ND1
|
B:HIS773
|
4.3
|
58.5
|
1.0
|
ND1
|
B:HIS771
|
4.3
|
60.2
|
1.0
|
CG
|
B:HIS773
|
4.4
|
59.6
|
1.0
|
C2
|
B:PYR2000
|
4.5
|
73.9
|
1.0
|
CB
|
B:ASP572
|
4.5
|
57.8
|
1.0
|
CG
|
B:HIS771
|
4.6
|
61.5
|
1.0
|
CA
|
B:MET743
|
4.7
|
63.8
|
1.0
|
C3
|
B:PYR2000
|
4.7
|
74.3
|
1.0
|
CE
|
B:KCX741
|
4.9
|
66.2
|
1.0
|
|
Manganese binding site 3 out
of 4 in 3bg3
Go back to
Manganese Binding Sites List in 3bg3
Manganese binding site 3 out
of 4 in the Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn2001
b:77.0
occ:1.00
|
OQ2
|
C:KCX741
|
2.1
|
72.2
|
1.0
|
OD1
|
C:ASP572
|
2.1
|
67.2
|
1.0
|
NE2
|
C:HIS773
|
2.2
|
63.5
|
1.0
|
NE2
|
C:HIS771
|
2.3
|
63.5
|
1.0
|
OQ1
|
C:KCX741
|
2.8
|
75.2
|
1.0
|
CX
|
C:KCX741
|
2.8
|
74.1
|
1.0
|
CE1
|
C:HIS773
|
2.9
|
62.0
|
1.0
|
CE1
|
C:HIS771
|
3.0
|
63.8
|
1.0
|
CG
|
C:ASP572
|
3.1
|
66.7
|
1.0
|
OD2
|
C:ASP572
|
3.2
|
67.5
|
1.0
|
CD2
|
C:HIS773
|
3.3
|
62.5
|
1.0
|
CD2
|
C:HIS771
|
3.4
|
64.8
|
1.0
|
O3
|
C:PYR2000
|
3.9
|
89.2
|
1.0
|
NE2
|
C:GLN807
|
4.1
|
61.2
|
1.0
|
NZ
|
C:KCX741
|
4.1
|
74.8
|
1.0
|
ND1
|
C:HIS773
|
4.1
|
61.6
|
1.0
|
ND1
|
C:HIS771
|
4.2
|
64.0
|
1.0
|
CG
|
C:HIS773
|
4.4
|
61.8
|
1.0
|
CG
|
C:HIS771
|
4.4
|
65.1
|
1.0
|
CB
|
C:ASP572
|
4.4
|
65.6
|
1.0
|
CA
|
C:MET743
|
4.5
|
67.0
|
1.0
|
NH1
|
C:ARG571
|
4.6
|
66.2
|
1.0
|
CB
|
C:MET743
|
4.8
|
68.4
|
1.0
|
NH2
|
C:ARG571
|
4.8
|
70.1
|
1.0
|
CE
|
C:KCX741
|
4.9
|
74.4
|
1.0
|
CD
|
C:GLN807
|
4.9
|
62.4
|
1.0
|
|
Manganese binding site 4 out
of 4 in 3bg3
Go back to
Manganese Binding Sites List in 3bg3
Manganese binding site 4 out
of 4 in the Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of Human Pyruvate Carboxylase (Missing the Biotin Carboxylase Domain at the N-Terminus) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn2001
b:68.0
occ:1.00
|
OD1
|
D:ASP572
|
2.0
|
57.4
|
1.0
|
OQ2
|
D:KCX741
|
2.1
|
54.1
|
1.0
|
NE2
|
D:HIS771
|
2.2
|
55.9
|
1.0
|
NE2
|
D:HIS773
|
2.4
|
56.2
|
1.0
|
OQ1
|
D:KCX741
|
2.6
|
59.0
|
1.0
|
CX
|
D:KCX741
|
2.7
|
57.4
|
1.0
|
CE1
|
D:HIS771
|
3.0
|
55.6
|
1.0
|
CG
|
D:ASP572
|
3.1
|
57.5
|
1.0
|
CE1
|
D:HIS773
|
3.1
|
55.4
|
1.0
|
CD2
|
D:HIS771
|
3.4
|
57.7
|
1.0
|
CD2
|
D:HIS773
|
3.5
|
54.8
|
1.0
|
OD2
|
D:ASP572
|
3.5
|
58.1
|
1.0
|
O3
|
D:PYR2000
|
3.8
|
76.6
|
1.0
|
OE1
|
D:GLN807
|
4.0
|
54.5
|
1.0
|
NZ
|
D:KCX741
|
4.1
|
59.8
|
1.0
|
NH2
|
D:ARG571
|
4.1
|
60.2
|
1.0
|
ND1
|
D:HIS771
|
4.2
|
56.5
|
1.0
|
ND1
|
D:HIS773
|
4.3
|
53.8
|
1.0
|
CG
|
D:HIS771
|
4.4
|
57.5
|
1.0
|
CB
|
D:ASP572
|
4.4
|
57.0
|
1.0
|
CG
|
D:HIS773
|
4.5
|
53.5
|
1.0
|
CD
|
D:GLN807
|
4.8
|
53.6
|
1.0
|
CA
|
D:MET743
|
4.8
|
56.3
|
1.0
|
CE
|
D:KCX741
|
5.0
|
59.5
|
1.0
|
|
Reference:
S.Xiang,
L.Tong.
Crystal Structures of Human and Staphylococcus Aureus Pyruvate Carboxylase and Molecular Insights Into the Carboxyltransfer Reaction. Nat.Struct.Mol.Biol. V. 15 295 2008.
ISSN: ISSN 1545-9993
PubMed: 18297087
DOI: 10.1038/NSMB.1393
Page generated: Sat Oct 5 15:56:40 2024
|