Zinc in PDB 4evb: Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM)
Protein crystallography data
The structure of Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM), PDB code: 4evb
was solved by
H.Yokoyama,
O.Tsuruta,
N.Akao,
S.Fujii,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.50
|
Space group
|
F 4 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
185.529,
185.529,
185.529,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.7 /
29.1
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM)
(pdb code 4evb). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the
Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM), PDB code: 4evb:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
Zinc binding site 1 out
of 7 in 4evb
Go back to
Zinc Binding Sites List in 4evb
Zinc binding site 1 out
of 7 in the Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn201
b:48.8
occ:1.00
|
NE2
|
A:HIS25
|
2.0
|
31.2
|
1.0
|
O
|
A:HOH301
|
2.5
|
41.9
|
1.0
|
CD2
|
A:HIS25
|
2.9
|
35.2
|
1.0
|
CE1
|
A:HIS25
|
3.1
|
32.6
|
1.0
|
ZN
|
A:ZN202
|
3.3
|
51.9
|
0.5
|
OH
|
A:TYR44
|
3.7
|
39.6
|
1.0
|
NE2
|
A:HIS37
|
3.9
|
41.4
|
1.0
|
CE1
|
A:HIS37
|
3.9
|
42.6
|
1.0
|
CG
|
A:HIS25
|
4.1
|
37.6
|
1.0
|
ND1
|
A:HIS25
|
4.2
|
33.5
|
1.0
|
O
|
A:HOH303
|
4.5
|
49.2
|
1.0
|
NE1
|
A:TRP26
|
4.5
|
36.4
|
1.0
|
CD1
|
A:TRP26
|
4.8
|
38.1
|
1.0
|
CZ
|
A:TYR44
|
4.9
|
36.2
|
1.0
|
OE1
|
A:GLU41
|
4.9
|
50.2
|
1.0
|
CD2
|
A:HIS37
|
4.9
|
43.4
|
1.0
|
ND1
|
A:HIS37
|
5.0
|
43.4
|
1.0
|
|
Zinc binding site 2 out
of 7 in 4evb
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Zinc Binding Sites List in 4evb
Zinc binding site 2 out
of 7 in the Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn202
b:51.9
occ:0.50
|
O
|
A:HOH301
|
2.0
|
41.9
|
1.0
|
NE2
|
A:HIS37
|
2.2
|
41.4
|
1.0
|
O
|
A:HOH302
|
2.6
|
45.0
|
1.0
|
CE1
|
A:HIS37
|
3.1
|
42.6
|
1.0
|
CD2
|
A:HIS37
|
3.2
|
43.4
|
1.0
|
O
|
A:HOH303
|
3.3
|
49.2
|
1.0
|
ZN
|
A:ZN201
|
3.3
|
48.8
|
1.0
|
NE2
|
A:HIS25
|
4.1
|
31.2
|
1.0
|
ND1
|
A:HIS37
|
4.3
|
43.4
|
1.0
|
CG
|
A:HIS37
|
4.4
|
44.0
|
1.0
|
CE1
|
A:HIS25
|
4.4
|
32.6
|
1.0
|
|
Zinc binding site 3 out
of 7 in 4evb
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Zinc Binding Sites List in 4evb
Zinc binding site 3 out
of 7 in the Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn203
b:59.0
occ:0.16
|
O
|
A:HOH304
|
2.0
|
56.3
|
1.0
|
OD1
|
A:ASP127
|
3.9
|
50.5
|
1.0
|
OD2
|
A:ASP127
|
4.3
|
51.6
|
1.0
|
CG
|
A:ASP127
|
4.5
|
48.4
|
1.0
|
|
Zinc binding site 4 out
of 7 in 4evb
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Zinc Binding Sites List in 4evb
Zinc binding site 4 out
of 7 in the Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn204
b:60.3
occ:1.00
|
OD2
|
A:ASP13
|
2.0
|
45.8
|
1.0
|
OE2
|
A:GLU105
|
2.1
|
58.6
|
1.0
|
NE2
|
A:HIS101
|
2.1
|
55.7
|
1.0
|
NE2
|
A:HIS9
|
2.4
|
53.4
|
1.0
|
CD
|
A:GLU105
|
2.6
|
59.5
|
1.0
|
CD2
|
A:HIS9
|
2.6
|
53.7
|
1.0
|
OE1
|
A:GLU105
|
2.8
|
61.3
|
1.0
|
CE1
|
A:HIS101
|
2.8
|
56.6
|
1.0
|
CG
|
A:ASP13
|
3.1
|
43.4
|
1.0
|
CD2
|
A:HIS101
|
3.1
|
55.4
|
1.0
|
OD1
|
A:ASP13
|
3.5
|
43.4
|
1.0
|
CE1
|
A:HIS9
|
3.6
|
54.2
|
1.0
|
CG
|
A:GLU105
|
3.8
|
55.1
|
1.0
|
CG
|
A:HIS9
|
3.9
|
52.5
|
1.0
|
ND1
|
A:HIS101
|
4.0
|
56.8
|
1.0
|
CG
|
A:HIS101
|
4.1
|
52.8
|
1.0
|
CB
|
A:ARG77
|
4.2
|
58.8
|
1.0
|
NH1
|
A:ARG77
|
4.3
|
79.4
|
1.0
|
ND1
|
A:HIS9
|
4.3
|
52.0
|
1.0
|
CB
|
A:ASP13
|
4.4
|
43.1
|
1.0
|
N
|
A:ARG77
|
4.5
|
56.7
|
1.0
|
CB
|
A:GLU105
|
4.6
|
51.5
|
1.0
|
CD2
|
A:LEU10
|
4.6
|
39.2
|
1.0
|
O
|
A:HIS9
|
4.6
|
47.7
|
1.0
|
CA
|
A:ARG77
|
4.9
|
57.7
|
1.0
|
C
|
A:HIS9
|
4.9
|
47.3
|
1.0
|
CD2
|
A:LEU102
|
4.9
|
44.9
|
1.0
|
|
Zinc binding site 5 out
of 7 in 4evb
Go back to
Zinc Binding Sites List in 4evb
Zinc binding site 5 out
of 7 in the Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn205
b:57.5
occ:0.25
|
O
|
A:HOH306
|
1.8
|
69.4
|
1.0
|
O
|
A:HOH307
|
1.8
|
43.9
|
1.0
|
O
|
A:HOH305
|
1.9
|
72.5
|
1.0
|
NE2
|
A:HIS64
|
2.2
|
60.6
|
1.0
|
CE1
|
A:HIS64
|
3.1
|
60.6
|
1.0
|
CD2
|
A:HIS64
|
3.3
|
59.3
|
1.0
|
ND1
|
A:HIS64
|
4.2
|
60.7
|
1.0
|
O
|
A:HOH376
|
4.4
|
51.7
|
1.0
|
CG
|
A:HIS64
|
4.4
|
58.1
|
1.0
|
|
Zinc binding site 6 out
of 7 in 4evb
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Zinc Binding Sites List in 4evb
Zinc binding site 6 out
of 7 in the Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn206
b:49.6
occ:0.25
|
O
|
A:HOH308
|
1.9
|
58.4
|
1.0
|
NE2
|
A:HIS87
|
2.1
|
67.8
|
1.0
|
O
|
A:HOH309
|
2.2
|
58.7
|
1.0
|
O
|
A:HOH310
|
2.6
|
63.4
|
1.0
|
CD2
|
A:HIS87
|
2.9
|
64.7
|
1.0
|
CE1
|
A:HIS87
|
3.1
|
67.1
|
1.0
|
CG
|
A:HIS87
|
4.0
|
61.3
|
1.0
|
ND1
|
A:HIS87
|
4.1
|
65.5
|
1.0
|
O
|
A:HOH322
|
4.3
|
60.1
|
1.0
|
|
Zinc binding site 7 out
of 7 in 4evb
Go back to
Zinc Binding Sites List in 4evb
Zinc binding site 7 out
of 7 in the Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Crystal Structure Hp-Nap From Strain YS39 Zinc Soaked (20MM) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn207
b:45.2
occ:0.25
|
O
|
A:HOH311
|
2.1
|
45.2
|
1.0
|
O
|
A:HOH312
|
2.2
|
70.5
|
1.0
|
OE1
|
A:GLU45
|
2.6
|
56.5
|
1.0
|
OE2
|
A:GLU41
|
2.9
|
51.4
|
1.0
|
CD
|
A:GLU45
|
3.7
|
52.1
|
1.0
|
CD
|
A:GLU41
|
3.8
|
49.5
|
1.0
|
CG
|
A:GLU41
|
4.2
|
44.3
|
1.0
|
OE2
|
A:GLU45
|
4.3
|
52.2
|
1.0
|
CG
|
A:GLU42
|
4.3
|
46.6
|
1.0
|
O
|
A:HOH313
|
4.6
|
54.4
|
1.0
|
OE1
|
A:GLU41
|
4.8
|
50.2
|
1.0
|
O
|
A:HOH352
|
4.9
|
70.9
|
1.0
|
CG
|
A:GLU45
|
4.9
|
43.8
|
1.0
|
CA
|
A:GLU42
|
4.9
|
41.5
|
1.0
|
N
|
A:GLU42
|
4.9
|
40.8
|
1.0
|
C
|
A:GLU41
|
5.0
|
41.3
|
1.0
|
O
|
A:GLU41
|
5.0
|
40.8
|
1.0
|
CB
|
A:GLU41
|
5.0
|
41.9
|
1.0
|
|
Reference:
H.Yokoyama,
O.Tsuruta,
N.Akao,
S.Fujii.
Crystal Structure of Helicobacter Pylori Neutrophil-Activating Protein with A Di-Nuclear Ferroxidase Center in A Zinc or Cadmium-Bound Form Biochem.Biophys.Res.Commun. V. 422 745 2012.
ISSN: ISSN 0006-291X
PubMed: 22618234
DOI: 10.1016/J.BBRC.2012.05.073
Page generated: Sat Oct 26 22:06:17 2024
|