Zinc in PDB 6smk: Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis.
Protein crystallography data
The structure of Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis., PDB code: 6smk
was solved by
P.H.Malecki,
P.Mitkowski,
H.Czapinska,
I.Sabala,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.25 /
3.00
|
Space group
|
P 65 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
136.469,
136.469,
325.040,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
22.5 /
25.9
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis.
(pdb code 6smk). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the
Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis., PDB code: 6smk:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
Zinc binding site 1 out
of 5 in 6smk
Go back to
Zinc Binding Sites List in 6smk
Zinc binding site 1 out
of 5 in the Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn201
b:85.1
occ:1.00
|
NE2
|
A:HIS29
|
1.9
|
0.3
|
1.0
|
ND1
|
A:HIS111
|
2.0
|
99.7
|
1.0
|
OD1
|
A:ASP33
|
2.2
|
0.5
|
1.0
|
O
|
A:HOH302
|
2.3
|
59.9
|
1.0
|
CE1
|
A:HIS29
|
2.6
|
86.3
|
1.0
|
CE1
|
A:HIS111
|
2.7
|
86.6
|
1.0
|
OD2
|
A:ASP33
|
2.8
|
97.7
|
1.0
|
CG
|
A:ASP33
|
2.8
|
94.5
|
1.0
|
CD2
|
A:HIS29
|
3.1
|
91.6
|
1.0
|
CG
|
A:HIS111
|
3.2
|
85.5
|
1.0
|
ND1
|
A:HIS29
|
3.7
|
90.3
|
1.0
|
CB
|
A:HIS111
|
3.7
|
77.5
|
1.0
|
NE2
|
A:HIS111
|
3.9
|
88.4
|
1.0
|
CG
|
A:HIS29
|
4.0
|
95.2
|
1.0
|
NE2
|
A:HIS78
|
4.1
|
67.9
|
1.0
|
CD2
|
A:HIS111
|
4.1
|
84.5
|
1.0
|
CB
|
A:ASP33
|
4.3
|
90.0
|
1.0
|
O
|
A:HOH313
|
4.4
|
69.9
|
1.0
|
CD2
|
A:HIS78
|
4.7
|
65.8
|
1.0
|
CA
|
A:HIS111
|
4.7
|
67.8
|
1.0
|
CA
|
A:ASP33
|
4.9
|
79.8
|
1.0
|
N
|
A:ASP33
|
4.9
|
76.5
|
1.0
|
|
Zinc binding site 2 out
of 5 in 6smk
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Zinc Binding Sites List in 6smk
Zinc binding site 2 out
of 5 in the Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn201
b:75.9
occ:1.00
|
NE2
|
B:HIS29
|
1.9
|
0.5
|
1.0
|
ND1
|
B:HIS111
|
2.0
|
0.7
|
1.0
|
OD1
|
B:ASP33
|
2.1
|
0.7
|
1.0
|
O
|
B:HOH306
|
2.7
|
75.8
|
1.0
|
CE1
|
B:HIS111
|
2.7
|
88.2
|
1.0
|
OD2
|
B:ASP33
|
2.7
|
0.0
|
1.0
|
CG
|
B:ASP33
|
2.8
|
0.9
|
1.0
|
CE1
|
B:HIS29
|
2.9
|
0.8
|
1.0
|
CD2
|
B:HIS29
|
3.0
|
98.4
|
1.0
|
CG
|
B:HIS111
|
3.1
|
81.3
|
1.0
|
CB
|
B:HIS111
|
3.6
|
75.8
|
1.0
|
NE2
|
B:HIS111
|
3.8
|
84.3
|
1.0
|
CD2
|
B:HIS111
|
4.0
|
70.6
|
1.0
|
ND1
|
B:HIS29
|
4.0
|
0.6
|
1.0
|
NE2
|
B:HIS78
|
4.0
|
80.2
|
1.0
|
CG
|
B:HIS29
|
4.1
|
97.6
|
1.0
|
CB
|
B:ASP33
|
4.3
|
92.8
|
1.0
|
O
|
B:HOH307
|
4.4
|
88.8
|
1.0
|
CA
|
B:HIS111
|
4.5
|
69.1
|
1.0
|
CD2
|
B:HIS78
|
4.5
|
82.0
|
1.0
|
CA
|
B:ASP33
|
4.9
|
83.4
|
1.0
|
|
Zinc binding site 3 out
of 5 in 6smk
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Zinc Binding Sites List in 6smk
Zinc binding site 3 out
of 5 in the Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn201
b:90.1
occ:1.00
|
NE2
|
D:HIS29
|
2.0
|
0.7
|
1.0
|
OD1
|
D:ASP33
|
2.1
|
0.4
|
1.0
|
ND1
|
D:HIS111
|
2.1
|
0.8
|
1.0
|
O
|
D:HOH302
|
2.6
|
82.3
|
1.0
|
OD2
|
D:ASP33
|
2.6
|
0.1
|
1.0
|
CG
|
D:ASP33
|
2.7
|
0.7
|
1.0
|
CE1
|
D:HIS111
|
2.8
|
0.0
|
1.0
|
CE1
|
D:HIS29
|
3.0
|
0.4
|
1.0
|
CD2
|
D:HIS29
|
3.1
|
0.8
|
1.0
|
CG
|
D:HIS111
|
3.3
|
0.7
|
1.0
|
CB
|
D:HIS111
|
3.8
|
95.5
|
1.0
|
NE2
|
D:HIS111
|
4.0
|
0.1
|
1.0
|
NE2
|
D:HIS78
|
4.1
|
92.7
|
1.0
|
ND1
|
D:HIS29
|
4.1
|
0.0
|
1.0
|
CB
|
D:ASP33
|
4.1
|
0.0
|
1.0
|
CG
|
D:HIS29
|
4.2
|
0.0
|
1.0
|
CD2
|
D:HIS111
|
4.2
|
97.1
|
1.0
|
CD2
|
D:HIS78
|
4.4
|
96.7
|
1.0
|
O
|
D:HOH304
|
4.5
|
74.6
|
1.0
|
CA
|
D:HIS111
|
4.6
|
85.0
|
1.0
|
NH2
|
D:ARG21
|
4.7
|
0.9
|
1.0
|
CA
|
D:ASP33
|
4.8
|
99.2
|
1.0
|
N
|
D:ASP33
|
4.8
|
89.0
|
1.0
|
|
Zinc binding site 4 out
of 5 in 6smk
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Zinc Binding Sites List in 6smk
Zinc binding site 4 out
of 5 in the Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn201
b:87.4
occ:1.00
|
NE2
|
C:HIS29
|
2.0
|
99.3
|
1.0
|
ND1
|
C:HIS111
|
2.2
|
0.8
|
1.0
|
OD1
|
C:ASP33
|
2.2
|
0.3
|
1.0
|
O
|
C:HOH303
|
2.3
|
84.3
|
1.0
|
OD2
|
C:ASP33
|
2.5
|
0.8
|
1.0
|
CG
|
C:ASP33
|
2.7
|
0.8
|
1.0
|
CE1
|
C:HIS29
|
2.9
|
86.8
|
1.0
|
CD2
|
C:HIS29
|
3.0
|
92.8
|
1.0
|
CE1
|
C:HIS111
|
3.0
|
0.9
|
1.0
|
CG
|
C:HIS111
|
3.2
|
99.8
|
1.0
|
CB
|
C:HIS111
|
3.6
|
93.3
|
1.0
|
ND1
|
C:HIS29
|
4.0
|
92.6
|
1.0
|
CG
|
C:HIS29
|
4.1
|
92.6
|
1.0
|
NE2
|
C:HIS111
|
4.1
|
93.8
|
1.0
|
CB
|
C:ASP33
|
4.1
|
85.6
|
1.0
|
NE2
|
C:HIS78
|
4.2
|
84.5
|
1.0
|
CD2
|
C:HIS111
|
4.2
|
95.5
|
1.0
|
CA
|
C:HIS111
|
4.5
|
82.7
|
1.0
|
CD2
|
C:HIS78
|
4.6
|
86.4
|
1.0
|
O
|
C:HOH307
|
4.6
|
72.9
|
1.0
|
CA
|
C:ASP33
|
4.8
|
80.1
|
1.0
|
N
|
C:ASP33
|
4.9
|
94.5
|
1.0
|
NH2
|
C:ARG21
|
4.9
|
0.6
|
1.0
|
OG
|
C:SER16
|
4.9
|
95.9
|
1.0
|
|
Zinc binding site 5 out
of 5 in 6smk
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Zinc Binding Sites List in 6smk
Zinc binding site 5 out
of 5 in the Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn201
b:90.6
occ:1.00
|
NE2
|
E:HIS29
|
2.0
|
0.8
|
1.0
|
OD1
|
E:ASP33
|
2.1
|
0.2
|
1.0
|
ND1
|
E:HIS111
|
2.2
|
0.1
|
1.0
|
OD2
|
E:ASP33
|
2.4
|
0.1
|
1.0
|
O
|
E:HOH302
|
2.5
|
79.1
|
1.0
|
CG
|
E:ASP33
|
2.6
|
0.6
|
1.0
|
CE1
|
E:HIS29
|
2.9
|
0.8
|
1.0
|
CE1
|
E:HIS111
|
3.0
|
0.1
|
1.0
|
CD2
|
E:HIS29
|
3.1
|
0.2
|
1.0
|
CG
|
E:HIS111
|
3.2
|
0.8
|
1.0
|
CB
|
E:HIS111
|
3.6
|
86.2
|
1.0
|
ND1
|
E:HIS29
|
4.0
|
0.8
|
1.0
|
NE2
|
E:HIS111
|
4.1
|
96.7
|
1.0
|
CB
|
E:ASP33
|
4.1
|
0.6
|
1.0
|
NE2
|
E:HIS78
|
4.1
|
87.4
|
1.0
|
CG
|
E:HIS29
|
4.2
|
0.5
|
1.0
|
CD2
|
E:HIS111
|
4.2
|
96.5
|
1.0
|
CA
|
E:HIS111
|
4.5
|
79.6
|
1.0
|
CD2
|
E:HIS78
|
4.7
|
87.2
|
1.0
|
CA
|
E:ASP33
|
4.7
|
92.3
|
1.0
|
N
|
E:ASP33
|
4.8
|
88.5
|
1.0
|
O
|
E:HOH305
|
5.0
|
73.0
|
1.0
|
|
Reference:
P.H.Malecki,
P.Mitkowski,
H.Czapinska,
I.Sabala.
Crystal Structure of Catalytic Domain A109H Mutant of Prophage-Encoded M23 Protein Enpa From Enterococcus Faecalis. To Be Published.
Page generated: Tue Oct 29 07:30:20 2024
|