Chlorine in PDB 4ylc: Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
Protein crystallography data
The structure of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2, PDB code: 4ylc
was solved by
L.Liu,
J.Y.Chen,
C.H.Yun,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.57 /
3.10
|
Space group
|
I 4
|
Cell size a, b, c (Å), α, β, γ (°)
|
189.105,
189.105,
88.497,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
24 /
27.2
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
(pdb code 4ylc). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2, PDB code: 4ylc:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 4ylc
Go back to
Chlorine Binding Sites List in 4ylc
Chlorine binding site 1 out
of 9 in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:92.7
occ:1.00
|
NH2
|
A:ARG54
|
3.0
|
98.4
|
1.0
|
NH1
|
A:ARG54
|
3.9
|
0.8
|
1.0
|
CZ
|
A:ARG54
|
3.9
|
0.9
|
1.0
|
N
|
A:ALA57
|
3.9
|
89.7
|
1.0
|
CB
|
A:ALA57
|
4.1
|
96.5
|
1.0
|
CB
|
A:SER56
|
4.6
|
73.0
|
1.0
|
CA
|
A:ALA57
|
4.7
|
90.6
|
1.0
|
CA
|
A:SER56
|
4.7
|
74.6
|
1.0
|
C
|
A:SER56
|
4.9
|
83.0
|
1.0
|
OG
|
A:SER56
|
4.9
|
82.6
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 4ylc
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Chlorine Binding Sites List in 4ylc
Chlorine binding site 2 out
of 9 in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl202
b:78.5
occ:1.00
|
ND2
|
A:ASN64
|
3.4
|
89.6
|
1.0
|
CE1
|
A:HIS85
|
3.5
|
75.0
|
1.0
|
ND1
|
A:HIS85
|
4.2
|
70.4
|
1.0
|
NE
|
A:ARG54
|
4.5
|
0.1
|
1.0
|
CG
|
A:ASN64
|
4.5
|
83.8
|
1.0
|
NE2
|
A:HIS85
|
4.6
|
62.7
|
1.0
|
CG2
|
A:ILE62
|
4.6
|
56.8
|
0.8
|
OD1
|
A:ASN64
|
4.8
|
84.8
|
1.0
|
NH2
|
A:ARG54
|
4.8
|
98.4
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 4ylc
Go back to
Chlorine Binding Sites List in 4ylc
Chlorine binding site 3 out
of 9 in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:0.0
occ:1.00
|
N
|
A:GLY34
|
4.1
|
60.3
|
1.0
|
N
|
A:GLY35
|
4.5
|
72.4
|
1.0
|
CA
|
A:GLU33
|
4.6
|
88.4
|
1.0
|
C
|
A:GLU33
|
4.7
|
83.6
|
1.0
|
CA
|
A:GLY34
|
4.9
|
61.2
|
1.0
|
O
|
A:HOH317
|
4.9
|
69.6
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 4ylc
Go back to
Chlorine Binding Sites List in 4ylc
Chlorine binding site 4 out
of 9 in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:90.9
occ:1.00
|
NH1
|
B:ARG54
|
2.4
|
63.8
|
0.8
|
NH2
|
B:ARG54
|
2.7
|
0.4
|
0.8
|
CZ
|
B:ARG54
|
2.9
|
87.4
|
0.8
|
CE1
|
B:HIS85
|
3.8
|
86.7
|
1.0
|
NE2
|
B:HIS85
|
4.2
|
74.8
|
1.0
|
NE
|
B:ARG54
|
4.3
|
0.2
|
0.8
|
ND2
|
B:ASN64
|
4.4
|
72.8
|
1.0
|
ND1
|
B:HIS85
|
4.7
|
88.5
|
1.0
|
CD1
|
B:ILE62
|
4.9
|
0.6
|
0.8
|
|
Chlorine binding site 5 out
of 9 in 4ylc
Go back to
Chlorine Binding Sites List in 4ylc
Chlorine binding site 5 out
of 9 in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl202
b:0.8
occ:1.00
|
N
|
B:ALA57
|
2.7
|
0.9
|
1.0
|
CB
|
B:ALA57
|
2.9
|
0.9
|
1.0
|
CA
|
B:ALA57
|
3.3
|
0.2
|
1.0
|
C
|
B:SER56
|
3.7
|
0.8
|
1.0
|
CA
|
B:SER56
|
3.9
|
0.5
|
1.0
|
CB
|
B:SER56
|
4.0
|
89.9
|
1.0
|
N
|
B:GLN58
|
4.4
|
0.8
|
1.0
|
C
|
B:ALA57
|
4.5
|
0.7
|
1.0
|
O
|
B:SER56
|
4.8
|
0.9
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 4ylc
Go back to
Chlorine Binding Sites List in 4ylc
Chlorine binding site 6 out
of 9 in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:95.9
occ:1.00
|
NH2
|
C:ARG54
|
3.2
|
0.8
|
1.0
|
CE1
|
C:HIS85
|
4.2
|
0.8
|
1.0
|
ND2
|
C:ASN64
|
4.3
|
0.7
|
1.0
|
CZ
|
C:ARG54
|
4.5
|
0.9
|
1.0
|
CG2
|
C:ILE62
|
4.7
|
0.4
|
1.0
|
CD1
|
C:ILE62
|
4.8
|
0.6
|
1.0
|
NE2
|
C:HIS85
|
4.9
|
0.4
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 4ylc
Go back to
Chlorine Binding Sites List in 4ylc
Chlorine binding site 7 out
of 9 in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl201
b:81.6
occ:1.00
|
NH1
|
D:ARG54
|
2.9
|
0.7
|
1.0
|
NH2
|
D:ARG54
|
3.0
|
87.4
|
1.0
|
ND2
|
D:ASN64
|
3.3
|
88.0
|
1.0
|
CE1
|
D:HIS85
|
3.4
|
79.7
|
1.0
|
CZ
|
D:ARG54
|
3.4
|
92.3
|
1.0
|
ND1
|
D:HIS85
|
3.8
|
85.0
|
1.0
|
CG
|
D:ASN64
|
4.1
|
80.1
|
1.0
|
OD1
|
D:ASN64
|
4.1
|
79.9
|
1.0
|
NE2
|
D:HIS85
|
4.2
|
76.0
|
1.0
|
NE
|
D:ARG54
|
4.7
|
93.7
|
1.0
|
CG2
|
D:ILE62
|
4.8
|
77.0
|
1.0
|
CG
|
D:HIS85
|
4.8
|
77.0
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 4ylc
Go back to
Chlorine Binding Sites List in 4ylc
Chlorine binding site 8 out
of 9 in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl201
b:96.1
occ:1.00
|
CE1
|
G:HIS85
|
3.8
|
0.3
|
0.8
|
OD1
|
G:ASN64
|
4.2
|
0.7
|
1.0
|
ND1
|
G:HIS85
|
4.4
|
0.1
|
0.8
|
ND2
|
G:ASN64
|
4.7
|
0.2
|
1.0
|
CG
|
G:ASN64
|
4.7
|
0.2
|
1.0
|
NE2
|
G:HIS85
|
5.0
|
91.7
|
0.8
|
|
Chlorine binding site 9 out
of 9 in 4ylc
Go back to
Chlorine Binding Sites List in 4ylc
Chlorine binding site 9 out
of 9 in the Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of Del-C4 Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl201
b:98.2
occ:1.00
|
NH2
|
H:ARG54
|
2.6
|
0.8
|
1.0
|
NH1
|
H:ARG54
|
2.9
|
0.8
|
1.0
|
CZ
|
H:ARG54
|
3.1
|
0.6
|
1.0
|
ND2
|
H:ASN64
|
4.2
|
0.6
|
1.0
|
CE1
|
H:HIS85
|
4.2
|
81.8
|
1.0
|
NE
|
H:ARG54
|
4.4
|
0.1
|
1.0
|
ND1
|
H:HIS85
|
5.0
|
81.0
|
1.0
|
NE2
|
H:HIS85
|
5.0
|
90.3
|
1.0
|
|
Reference:
L.Liu,
J.Y.Chen,
B.Yang,
F.H.Wang,
Y.H.Wang,
C.H.Yun.
Active-State Structures of A Small Heat-Shock Protein Revealed A Molecular Switch For Chaperone Function Structure V. 23 2066 2015.
ISSN: ISSN 0969-2126
PubMed: 26439766
DOI: 10.1016/J.STR.2015.08.015
Page generated: Fri Jul 26 04:11:41 2024
|