Chlorine in PDB 4xjd: X-Ray Structure of LYSOZYME2
Enzymatic activity of X-Ray Structure of LYSOZYME2
All present enzymatic activity of X-Ray Structure of LYSOZYME2:
3.2.1.17;
Protein crystallography data
The structure of X-Ray Structure of LYSOZYME2, PDB code: 4xjd
was solved by
C.Y.Huang,
V.Olieric,
K.Diederichs,
M.Wang,
M.Caffrey,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.66 /
1.80
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.510,
77.510,
36.750,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21.6 /
26.7
|
Other elements in 4xjd:
The structure of X-Ray Structure of LYSOZYME2 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the X-Ray Structure of LYSOZYME2
(pdb code 4xjd). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the
X-Ray Structure of LYSOZYME2, PDB code: 4xjd:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 4xjd
Go back to
Chlorine Binding Sites List in 4xjd
Chlorine binding site 1 out
of 7 in the X-Ray Structure of LYSOZYME2
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of X-Ray Structure of LYSOZYME2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:26.9
occ:0.79
|
OH
|
A:TYR23
|
3.0
|
19.8
|
1.0
|
CE2
|
A:TYR23
|
3.6
|
21.7
|
1.0
|
CZ
|
A:TYR23
|
3.7
|
18.3
|
1.0
|
O
|
A:HOH306
|
3.8
|
26.0
|
1.0
|
CA
|
A:GLY104
|
4.0
|
20.8
|
1.0
|
O
|
A:ARG21
|
4.4
|
27.9
|
1.0
|
O
|
A:HOH310
|
4.5
|
33.0
|
1.0
|
N
|
A:GLY104
|
4.6
|
22.8
|
1.0
|
CD2
|
A:TYR23
|
4.8
|
21.6
|
1.0
|
CD
|
A:ARG21
|
4.8
|
40.5
|
1.0
|
NH1
|
A:ARG21
|
4.8
|
45.1
|
1.0
|
CE1
|
A:TYR23
|
4.9
|
18.9
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 4xjd
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Chlorine Binding Sites List in 4xjd
Chlorine binding site 2 out
of 7 in the X-Ray Structure of LYSOZYME2
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of X-Ray Structure of LYSOZYME2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl202
b:31.3
occ:0.66
|
OG
|
A:SER24
|
2.6
|
31.2
|
1.0
|
N
|
A:GLY26
|
2.9
|
24.3
|
1.0
|
CB
|
A:SER24
|
3.3
|
28.3
|
1.0
|
CA
|
A:GLN121
|
3.4
|
31.2
|
1.0
|
CA
|
A:GLY26
|
3.4
|
23.9
|
1.0
|
CB
|
A:GLN121
|
3.6
|
38.7
|
1.0
|
N
|
A:LEU25
|
3.8
|
25.6
|
1.0
|
CD1
|
A:ILE124
|
3.8
|
36.7
|
1.0
|
C
|
A:SER24
|
3.9
|
26.0
|
1.0
|
N
|
A:GLN121
|
4.0
|
34.2
|
1.0
|
C
|
A:LEU25
|
4.1
|
27.3
|
1.0
|
CA
|
A:SER24
|
4.2
|
25.5
|
1.0
|
CG1
|
A:ILE124
|
4.2
|
34.8
|
1.0
|
O
|
A:SER24
|
4.3
|
26.2
|
1.0
|
O
|
A:VAL120
|
4.3
|
30.4
|
1.0
|
CA
|
A:LEU25
|
4.3
|
25.5
|
1.0
|
C
|
A:VAL120
|
4.4
|
30.5
|
1.0
|
CG2
|
A:VAL120
|
4.5
|
24.5
|
1.0
|
C
|
A:GLY26
|
4.6
|
21.8
|
1.0
|
CB
|
A:LEU25
|
4.6
|
22.0
|
1.0
|
O
|
A:HOH332
|
4.6
|
27.6
|
1.0
|
C
|
A:GLN121
|
4.6
|
32.9
|
1.0
|
N
|
A:ASN27
|
4.7
|
21.7
|
1.0
|
O
|
A:GLN121
|
4.8
|
33.7
|
1.0
|
|
Chlorine binding site 3 out
of 7 in 4xjd
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Chlorine Binding Sites List in 4xjd
Chlorine binding site 3 out
of 7 in the X-Ray Structure of LYSOZYME2
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of X-Ray Structure of LYSOZYME2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:41.7
occ:0.57
|
O
|
A:HOH340
|
2.2
|
35.5
|
1.0
|
OD1
|
A:ASN65
|
3.0
|
38.8
|
1.0
|
N
|
A:THR69
|
3.2
|
36.5
|
1.0
|
N
|
A:ARG68
|
3.3
|
26.4
|
1.0
|
N
|
A:GLY67
|
3.4
|
30.2
|
1.0
|
O
|
A:THR69
|
3.4
|
39.2
|
1.0
|
C
|
A:GLY67
|
3.5
|
32.3
|
1.0
|
CA
|
A:GLY67
|
3.6
|
29.1
|
1.0
|
OD1
|
A:ASP66
|
3.8
|
28.8
|
1.0
|
OG
|
A:SER72
|
3.9
|
42.9
|
1.0
|
C
|
A:THR69
|
3.9
|
41.0
|
1.0
|
CA
|
A:THR69
|
3.9
|
34.2
|
1.0
|
O
|
A:HOH331
|
4.0
|
37.8
|
1.0
|
CG
|
A:ASN65
|
4.0
|
32.4
|
1.0
|
C
|
A:ARG68
|
4.1
|
35.0
|
1.0
|
CA
|
A:ARG68
|
4.1
|
30.9
|
1.0
|
CB
|
A:THR69
|
4.2
|
34.5
|
1.0
|
N
|
A:ASP66
|
4.2
|
28.5
|
1.0
|
O
|
A:GLY67
|
4.3
|
30.9
|
1.0
|
C
|
A:ASP66
|
4.4
|
29.2
|
1.0
|
OG1
|
A:THR69
|
4.5
|
30.7
|
1.0
|
NA
|
A:NA208
|
4.7
|
34.2
|
0.9
|
ND2
|
A:ASN65
|
4.8
|
34.9
|
1.0
|
CA
|
A:ASP66
|
4.9
|
27.5
|
1.0
|
CA
|
A:ASN65
|
4.9
|
26.0
|
1.0
|
CB
|
A:ASN65
|
5.0
|
29.9
|
1.0
|
CG
|
A:ASP66
|
5.0
|
28.7
|
1.0
|
C
|
A:ASN65
|
5.0
|
26.5
|
1.0
|
|
Chlorine binding site 4 out
of 7 in 4xjd
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Chlorine Binding Sites List in 4xjd
Chlorine binding site 4 out
of 7 in the X-Ray Structure of LYSOZYME2
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of X-Ray Structure of LYSOZYME2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl204
b:33.6
occ:0.76
|
OD1
|
A:ASP87
|
3.0
|
40.4
|
1.0
|
N
|
A:ILE88
|
3.3
|
27.6
|
1.0
|
NE2
|
A:HIS15
|
3.4
|
32.1
|
1.0
|
NH2
|
A:ARG14
|
3.4
|
39.9
|
1.0
|
CG1
|
A:ILE88
|
3.6
|
27.9
|
1.0
|
NH1
|
A:ARG14
|
3.8
|
37.0
|
1.0
|
CA
|
A:ASP87
|
4.0
|
30.8
|
1.0
|
CZ
|
A:ARG14
|
4.0
|
36.6
|
1.0
|
CG
|
A:ASP87
|
4.0
|
33.9
|
1.0
|
C
|
A:ASP87
|
4.1
|
31.8
|
1.0
|
CD2
|
A:HIS15
|
4.2
|
26.9
|
1.0
|
CA
|
A:ILE88
|
4.2
|
26.1
|
1.0
|
CB
|
A:ILE88
|
4.4
|
26.0
|
1.0
|
CE1
|
A:HIS15
|
4.4
|
31.9
|
1.0
|
CB
|
A:ASP87
|
4.4
|
31.8
|
1.0
|
CB
|
A:ALA11
|
4.4
|
29.9
|
1.0
|
N
|
A:THR89
|
4.5
|
23.5
|
1.0
|
CD1
|
A:ILE88
|
4.6
|
29.0
|
1.0
|
OG1
|
A:THR89
|
4.6
|
28.7
|
1.0
|
C
|
A:ILE88
|
4.7
|
27.3
|
1.0
|
CG2
|
A:ILE88
|
4.7
|
26.4
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 4xjd
Go back to
Chlorine Binding Sites List in 4xjd
Chlorine binding site 5 out
of 7 in the X-Ray Structure of LYSOZYME2
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of X-Ray Structure of LYSOZYME2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl205
b:55.4
occ:0.69
|
NZ
|
A:LYS33
|
3.5
|
39.4
|
1.0
|
O
|
A:HOH305
|
4.1
|
35.3
|
0.9
|
CE
|
A:LYS33
|
4.1
|
33.0
|
1.0
|
CE2
|
A:PHE38
|
4.3
|
30.2
|
1.0
|
CD
|
A:LYS33
|
4.5
|
27.9
|
1.0
|
CD
|
A:ARG5
|
4.6
|
35.5
|
1.0
|
CZ3
|
A:TRP123
|
4.8
|
28.6
|
1.0
|
CB
|
A:ARG5
|
4.8
|
31.1
|
1.0
|
|
Chlorine binding site 6 out
of 7 in 4xjd
Go back to
Chlorine Binding Sites List in 4xjd
Chlorine binding site 6 out
of 7 in the X-Ray Structure of LYSOZYME2
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of X-Ray Structure of LYSOZYME2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl206
b:44.9
occ:0.67
|
N
|
A:ASN74
|
3.1
|
33.7
|
1.0
|
NE
|
A:ARG73
|
3.2
|
44.6
|
1.0
|
CB
|
A:ARG73
|
3.6
|
41.2
|
1.0
|
NH2
|
A:ARG73
|
3.7
|
37.8
|
1.0
|
C
|
A:ASN74
|
3.7
|
35.3
|
1.0
|
CD2
|
A:LEU75
|
3.8
|
40.0
|
1.0
|
CZ
|
A:ARG73
|
3.8
|
40.7
|
1.0
|
O
|
A:ASN74
|
3.9
|
36.8
|
1.0
|
CA
|
A:ARG73
|
3.9
|
39.3
|
1.0
|
CA
|
A:ASN74
|
3.9
|
31.7
|
1.0
|
C
|
A:ARG73
|
4.0
|
37.4
|
1.0
|
CD
|
A:ARG73
|
4.1
|
43.2
|
1.0
|
N
|
A:LEU75
|
4.1
|
37.7
|
1.0
|
CB
|
A:ASN74
|
4.4
|
31.4
|
1.0
|
CG
|
A:ARG73
|
4.4
|
43.8
|
1.0
|
CG
|
A:LEU75
|
4.6
|
36.9
|
1.0
|
CA
|
A:LEU75
|
4.6
|
36.6
|
1.0
|
|
Chlorine binding site 7 out
of 7 in 4xjd
Go back to
Chlorine Binding Sites List in 4xjd
Chlorine binding site 7 out
of 7 in the X-Ray Structure of LYSOZYME2
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of X-Ray Structure of LYSOZYME2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:31.0
occ:0.80
|
NH1
|
A:ARG68
|
3.3
|
28.8
|
1.0
|
CD
|
A:ARG68
|
3.8
|
30.9
|
1.0
|
CZ
|
A:ARG68
|
4.2
|
31.3
|
1.0
|
NE
|
A:ARG68
|
4.4
|
26.7
|
1.0
|
NH2
|
A:ARG45
|
5.0
|
38.2
|
1.0
|
|
Reference:
C.Y.Huang,
V.Olieric,
P.Ma,
E.Panepucci,
K.Diederichs,
M.Wang,
M.Caffrey.
In Meso in Situ Serial X-Ray Crystallography of Soluble and Membrane Proteins. Acta Crystallogr.,Sect.D V. 71 1238 2015.
ISSN: ESSN 1399-0047
PubMed: 26057665
DOI: 10.1107/S1399004715005210
Page generated: Fri Jul 26 03:29:33 2024
|