Chlorine in PDB 7dl4: Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
Protein crystallography data
The structure of Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct, PDB code: 7dl4
was solved by
L.L.Xie,
W.M.Wang,
H.F.Wang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.54 /
2.40
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
184.983,
38.494,
95.516,
90,
105.53,
90
|
R / Rfree (%)
|
20.8 /
26.8
|
Other elements in 7dl4:
The structure of Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
(pdb code 7dl4). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct, PDB code: 7dl4:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 7dl4
Go back to
Chlorine Binding Sites List in 7dl4
Chlorine binding site 1 out
of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl602
b:58.5
occ:0.80
|
CL8
|
A:HZQ602
|
0.0
|
58.5
|
0.8
|
C3
|
A:HZQ602
|
1.7
|
64.4
|
0.8
|
C1
|
A:HZQ602
|
2.7
|
61.3
|
0.8
|
C7
|
A:HZQ602
|
2.7
|
59.1
|
0.8
|
C4
|
A:HZQ602
|
3.0
|
66.8
|
0.8
|
CA
|
A:GLY189
|
3.6
|
63.9
|
1.0
|
CG
|
A:PHE157
|
4.0
|
51.9
|
1.0
|
C10
|
A:HZQ602
|
4.0
|
63.5
|
0.8
|
C2
|
A:HZQ602
|
4.0
|
64.5
|
0.8
|
CD1
|
A:LEU154
|
4.1
|
60.7
|
1.0
|
CB
|
A:PHE157
|
4.2
|
53.5
|
1.0
|
CD2
|
A:PHE157
|
4.2
|
59.2
|
1.0
|
CD1
|
A:PHE157
|
4.3
|
55.0
|
1.0
|
C9
|
A:HZQ602
|
4.4
|
62.4
|
0.8
|
CG2
|
A:ILE142
|
4.4
|
48.0
|
1.0
|
C
|
A:GLY189
|
4.5
|
67.1
|
1.0
|
C5
|
A:HZQ602
|
4.5
|
64.2
|
0.8
|
N
|
A:GLY189
|
4.6
|
57.8
|
1.0
|
CD1
|
A:ILE142
|
4.7
|
54.6
|
1.0
|
CE2
|
A:PHE157
|
4.7
|
61.0
|
1.0
|
CZ
|
A:PHE149
|
4.7
|
61.1
|
1.0
|
CE1
|
A:PHE157
|
4.7
|
62.6
|
1.0
|
CE2
|
A:TYR161
|
4.9
|
62.7
|
1.0
|
O
|
A:GLY189
|
4.9
|
63.9
|
1.0
|
CZ
|
A:PHE157
|
4.9
|
56.5
|
1.0
|
O
|
A:LEU185
|
4.9
|
56.8
|
1.0
|
CE2
|
A:PHE149
|
5.0
|
62.9
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 7dl4
Go back to
Chlorine Binding Sites List in 7dl4
Chlorine binding site 2 out
of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl603
b:61.8
occ:0.80
|
RU
|
A:RU601
|
2.4
|
70.7
|
0.7
|
N
|
A:NO606
|
3.0
|
76.4
|
0.8
|
N6
|
A:HZQ602
|
3.1
|
65.3
|
0.8
|
O11
|
A:HZQ602
|
3.3
|
70.7
|
0.8
|
C2
|
A:HZQ602
|
3.6
|
64.5
|
0.8
|
NE2
|
A:HIS146
|
3.6
|
70.1
|
1.0
|
CL
|
A:CL604
|
3.6
|
78.0
|
0.8
|
C5
|
A:HZQ602
|
3.7
|
64.2
|
0.8
|
C12
|
A:HZQ602
|
3.8
|
60.9
|
0.8
|
O
|
A:NO606
|
3.9
|
66.4
|
0.8
|
CD2
|
A:HIS146
|
4.0
|
56.4
|
1.0
|
CD
|
A:ARG145
|
4.1
|
47.7
|
1.0
|
CD1
|
A:LEU115
|
4.4
|
56.8
|
1.0
|
CG1
|
A:ILE142
|
4.5
|
58.0
|
1.0
|
CB
|
A:ARG145
|
4.6
|
56.6
|
1.0
|
CG2
|
A:ILE142
|
4.6
|
48.0
|
1.0
|
C1
|
A:HZQ602
|
4.6
|
61.3
|
0.8
|
CA
|
A:ILE142
|
4.7
|
53.9
|
1.0
|
CL
|
A:CL605
|
4.7
|
87.2
|
0.8
|
C10
|
A:HZQ602
|
4.8
|
63.5
|
0.8
|
CE1
|
A:HIS146
|
4.8
|
68.4
|
1.0
|
C9
|
A:HZQ602
|
4.8
|
62.4
|
0.8
|
CB
|
A:ILE142
|
4.9
|
49.1
|
1.0
|
CG
|
A:LEU115
|
5.0
|
67.0
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 7dl4
Go back to
Chlorine Binding Sites List in 7dl4
Chlorine binding site 3 out
of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl604
b:78.0
occ:0.80
|
RU
|
A:RU601
|
2.4
|
70.7
|
0.7
|
N6
|
A:HZQ602
|
3.0
|
65.3
|
0.8
|
CL
|
A:CL605
|
3.1
|
87.2
|
0.8
|
C12
|
A:HZQ602
|
3.1
|
60.9
|
0.8
|
N
|
A:NO606
|
3.4
|
76.4
|
0.8
|
CL
|
A:CL603
|
3.6
|
61.8
|
0.8
|
C2
|
A:HZQ602
|
4.2
|
64.5
|
0.8
|
O
|
A:NO606
|
4.3
|
66.4
|
0.8
|
O11
|
A:HZQ602
|
4.3
|
70.7
|
0.8
|
O
|
A:HOH782
|
4.5
|
74.2
|
1.0
|
C9
|
A:HZQ602
|
4.5
|
62.4
|
0.8
|
CG
|
A:ARG186
|
4.6
|
65.2
|
1.0
|
C5
|
A:HZQ602
|
4.8
|
64.2
|
0.8
|
|
Chlorine binding site 4 out
of 8 in 7dl4
Go back to
Chlorine Binding Sites List in 7dl4
Chlorine binding site 4 out
of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl605
b:87.2
occ:0.80
|
RU
|
A:RU601
|
2.4
|
70.7
|
0.7
|
N
|
A:NO606
|
2.7
|
76.4
|
0.8
|
O11
|
A:HZQ602
|
2.8
|
70.7
|
0.8
|
CL
|
A:CL604
|
3.1
|
78.0
|
0.8
|
N6
|
A:HZQ602
|
3.2
|
65.3
|
0.8
|
O
|
A:NO606
|
3.4
|
66.4
|
0.8
|
C5
|
A:HZQ602
|
3.5
|
64.2
|
0.8
|
C2
|
A:HZQ602
|
3.6
|
64.5
|
0.8
|
CB
|
A:LYS190
|
3.8
|
71.7
|
1.0
|
CG
|
A:LYS190
|
3.9
|
71.5
|
1.0
|
CD
|
A:LYS190
|
4.0
|
81.2
|
1.0
|
C12
|
A:HZQ602
|
4.1
|
60.9
|
0.8
|
CG
|
A:ARG186
|
4.2
|
65.2
|
1.0
|
CA
|
A:LYS190
|
4.6
|
70.9
|
1.0
|
C10
|
A:HZQ602
|
4.6
|
63.5
|
0.8
|
CL
|
A:CL603
|
4.7
|
61.8
|
0.8
|
CD
|
A:ARG186
|
4.8
|
65.3
|
1.0
|
O
|
A:ARG186
|
4.8
|
64.2
|
1.0
|
C1
|
A:HZQ602
|
4.9
|
61.3
|
0.8
|
N
|
A:LYS190
|
5.0
|
65.8
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 7dl4
Go back to
Chlorine Binding Sites List in 7dl4
Chlorine binding site 5 out
of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl609
b:73.5
occ:0.60
|
RU
|
A:RU607
|
2.3
|
67.4
|
0.5
|
CL
|
A:CL610
|
3.0
|
66.5
|
0.6
|
CL
|
A:CL611
|
3.0
|
69.5
|
0.6
|
N
|
A:NO612
|
3.1
|
74.4
|
0.8
|
O2
|
A:GOL608
|
3.3
|
64.9
|
0.8
|
O
|
A:PHE134
|
3.6
|
60.8
|
1.0
|
CD1
|
A:PHE134
|
3.6
|
56.9
|
1.0
|
CD
|
A:LYS137
|
3.9
|
73.7
|
1.0
|
CB
|
A:LYS137
|
3.9
|
58.7
|
1.0
|
CA
|
A:PHE134
|
4.0
|
55.8
|
1.0
|
O
|
A:NO612
|
4.0
|
57.3
|
0.8
|
CE1
|
A:PHE134
|
4.1
|
58.4
|
1.0
|
C
|
A:PHE134
|
4.2
|
56.3
|
1.0
|
C2
|
A:GOL608
|
4.3
|
65.1
|
0.8
|
O1
|
A:GOL608
|
4.3
|
66.8
|
0.8
|
CG
|
A:PHE134
|
4.3
|
43.7
|
1.0
|
CG
|
A:LYS137
|
4.5
|
62.3
|
1.0
|
CB
|
A:PHE134
|
4.6
|
55.7
|
1.0
|
N
|
A:TYR138
|
4.8
|
58.3
|
1.0
|
O
|
A:THR133
|
4.9
|
58.6
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 7dl4
Go back to
Chlorine Binding Sites List in 7dl4
Chlorine binding site 6 out
of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl610
b:66.5
occ:0.60
|
RU
|
A:RU607
|
2.4
|
67.4
|
0.5
|
O2
|
A:GOL608
|
2.6
|
64.9
|
0.8
|
O1
|
A:GOL608
|
2.9
|
66.8
|
0.8
|
CL
|
A:CL609
|
3.0
|
73.5
|
0.6
|
CL
|
A:CL611
|
3.3
|
69.5
|
0.6
|
N
|
A:TYR138
|
3.7
|
58.3
|
1.0
|
C2
|
A:GOL608
|
3.7
|
65.1
|
0.8
|
CA
|
A:TYR138
|
3.8
|
58.1
|
1.0
|
C1
|
A:GOL608
|
3.8
|
54.4
|
0.8
|
C
|
A:LYS137
|
3.9
|
60.2
|
1.0
|
CG
|
A:GLU141
|
3.9
|
52.0
|
1.0
|
CD
|
A:LYS137
|
3.9
|
73.7
|
1.0
|
CB
|
A:LYS137
|
4.0
|
58.7
|
1.0
|
CB
|
A:TYR138
|
4.0
|
50.9
|
1.0
|
N
|
A:NO612
|
4.1
|
74.4
|
0.8
|
CG
|
A:LYS137
|
4.1
|
62.3
|
1.0
|
O
|
A:LYS137
|
4.2
|
57.0
|
1.0
|
CE
|
A:LYS137
|
4.6
|
69.2
|
1.0
|
CA
|
A:LYS137
|
4.6
|
55.9
|
1.0
|
C3
|
A:GOL608
|
4.7
|
67.6
|
0.8
|
O
|
A:PHE134
|
4.7
|
60.8
|
1.0
|
OE2
|
A:GLU141
|
4.7
|
51.3
|
1.0
|
CD
|
A:GLU141
|
4.8
|
52.8
|
1.0
|
CB
|
A:GLU141
|
4.9
|
52.1
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 7dl4
Go back to
Chlorine Binding Sites List in 7dl4
Chlorine binding site 7 out
of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl611
b:69.5
occ:0.60
|
RU
|
A:RU607
|
2.3
|
67.4
|
0.5
|
N
|
A:NO612
|
2.6
|
74.4
|
0.8
|
CL
|
A:CL609
|
3.0
|
73.5
|
0.6
|
CL
|
A:CL610
|
3.3
|
66.5
|
0.6
|
O1
|
A:GOL608
|
3.3
|
66.8
|
0.8
|
O
|
A:NO612
|
3.3
|
57.3
|
0.8
|
NZ
|
A:LYS137
|
3.9
|
66.1
|
1.0
|
CD
|
A:LYS137
|
4.1
|
73.7
|
1.0
|
O2
|
A:GOL608
|
4.3
|
64.9
|
0.8
|
CE
|
A:LYS137
|
4.4
|
69.2
|
1.0
|
C1
|
A:GOL608
|
4.5
|
54.4
|
0.8
|
O
|
A:HOH781
|
4.7
|
66.5
|
1.0
|
C2
|
A:GOL608
|
4.7
|
65.1
|
0.8
|
|
Chlorine binding site 8 out
of 8 in 7dl4
Go back to
Chlorine Binding Sites List in 7dl4
Chlorine binding site 8 out
of 8 in the Crystal Structure of Human Serum Albumin and Nitrosylruthenium Complex Adduct
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 Human Serum Albumin and Nitrosylruthenium Complex Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl622
b:86.3
occ:1.00
|
C3
|
A:GOL608
|
3.2
|
67.6
|
0.8
|
O
|
A:HOH782
|
3.9
|
74.2
|
1.0
|
O3
|
A:GOL608
|
4.0
|
50.1
|
0.8
|
C1
|
A:GOL608
|
4.3
|
54.4
|
0.8
|
C2
|
A:GOL608
|
4.3
|
65.1
|
0.8
|
CG
|
A:ARG117
|
4.4
|
59.0
|
1.0
|
CB
|
A:ARG117
|
4.4
|
64.4
|
1.0
|
CA
|
A:ARG117
|
4.4
|
52.7
|
1.0
|
SD
|
A:MET123
|
4.6
|
55.0
|
1.0
|
NE
|
A:ARG117
|
4.7
|
75.6
|
1.0
|
CD
|
A:PRO118
|
4.9
|
56.8
|
1.0
|
CD1
|
A:LEU182
|
4.9
|
59.3
|
1.0
|
|
Reference:
L.L.Xie,
W.M.Wang,
H.F.Wang.
Structural and Photodynamic Studies on Nitrosylruthenium Complexed Serum Albumin To Be Published.
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