Chlorine in PDB 6zuc: X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex
Enzymatic activity of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex
All present enzymatic activity of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex:
3.1.3.16;
Protein crystallography data
The structure of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex, PDB code: 6zuc
was solved by
A.Albert,
L.Infantes,
J.L.Benavente,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.73 /
2.37
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
42.959,
62.733,
186.926,
90,
90,
90
|
R / Rfree (%)
|
18.1 /
24.3
|
Other elements in 6zuc:
The structure of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex
(pdb code 6zuc). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex, PDB code: 6zuc:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 6zuc
Go back to
Chlorine Binding Sites List in 6zuc
Chlorine binding site 1 out
of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl605
b:61.3
occ:1.00
|
NH1
|
B:ARG449
|
3.1
|
29.2
|
1.0
|
CD
|
B:ARG449
|
3.4
|
61.4
|
1.0
|
NH2
|
B:ARG450
|
3.7
|
58.7
|
1.0
|
NE
|
B:ARG450
|
3.9
|
57.5
|
1.0
|
CZ
|
B:ARG449
|
4.0
|
44.8
|
1.0
|
CG
|
B:ARG449
|
4.1
|
58.7
|
1.0
|
NE
|
B:ARG449
|
4.1
|
50.8
|
1.0
|
CZ
|
B:ARG450
|
4.3
|
63.8
|
1.0
|
CB
|
B:ARG449
|
4.3
|
31.9
|
1.0
|
CE2
|
B:TYR480
|
4.3
|
28.1
|
1.0
|
CG2
|
B:ILE446
|
4.6
|
36.6
|
1.0
|
CE
|
B:MET453
|
4.7
|
56.7
|
1.0
|
CA
|
B:ILE446
|
4.7
|
30.0
|
1.0
|
CG1
|
B:ILE446
|
4.8
|
44.4
|
1.0
|
OH
|
B:TYR480
|
4.8
|
53.4
|
1.0
|
CZ
|
B:TYR480
|
4.9
|
35.9
|
1.0
|
O
|
B:ILE446
|
4.9
|
34.9
|
1.0
|
CB
|
B:ILE446
|
4.9
|
40.4
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 6zuc
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Chlorine Binding Sites List in 6zuc
Chlorine binding site 2 out
of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl606
b:67.1
occ:1.00
|
N
|
B:SER200
|
3.2
|
41.6
|
1.0
|
O
|
B:HOH764
|
3.2
|
38.2
|
1.0
|
CD
|
B:ARG199
|
3.6
|
32.0
|
1.0
|
OG
|
B:SER200
|
3.7
|
68.1
|
1.0
|
CA
|
B:ARG199
|
3.7
|
33.5
|
1.0
|
CB
|
B:SER200
|
3.9
|
38.5
|
1.0
|
C
|
B:ARG199
|
4.0
|
36.2
|
1.0
|
CA
|
B:SER200
|
4.1
|
39.4
|
1.0
|
CB
|
B:ARG199
|
4.1
|
31.7
|
1.0
|
O
|
A:HOH429
|
4.2
|
51.5
|
1.0
|
CG
|
B:ARG199
|
4.4
|
33.8
|
1.0
|
NE
|
B:ARG199
|
4.5
|
51.8
|
1.0
|
O
|
A:HOH427
|
4.6
|
50.2
|
1.0
|
NH2
|
B:ARG199
|
4.8
|
68.6
|
1.0
|
O
|
B:ASN198
|
4.8
|
49.2
|
1.0
|
N
|
B:GLU201
|
4.9
|
38.8
|
1.0
|
N
|
B:ARG199
|
4.9
|
39.8
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 6zuc
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Chlorine Binding Sites List in 6zuc
Chlorine binding site 3 out
of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl607
b:95.4
occ:1.00
|
O
|
B:ARG450
|
2.9
|
30.3
|
1.0
|
O
|
B:HOH722
|
3.2
|
46.2
|
1.0
|
CD
|
B:ARG450
|
3.6
|
44.6
|
1.0
|
N
|
B:TRP454
|
3.7
|
37.2
|
1.0
|
C
|
B:ARG450
|
3.8
|
32.4
|
1.0
|
CB
|
B:ALA476
|
3.8
|
26.9
|
1.0
|
CB
|
B:MET453
|
3.9
|
45.5
|
1.0
|
CB
|
B:TRP454
|
3.9
|
33.9
|
1.0
|
CA
|
B:ARG450
|
3.9
|
34.8
|
1.0
|
CB
|
B:ARG450
|
4.1
|
31.8
|
1.0
|
CA
|
B:TRP454
|
4.1
|
35.7
|
1.0
|
NZ
|
B:LYS457
|
4.3
|
75.0
|
1.0
|
NH1
|
B:ARG450
|
4.3
|
57.5
|
1.0
|
CG
|
B:MET453
|
4.3
|
69.0
|
1.0
|
C
|
B:MET453
|
4.4
|
42.2
|
1.0
|
SD
|
B:MET453
|
4.4
|
80.5
|
1.0
|
NE
|
B:ARG450
|
4.5
|
57.5
|
1.0
|
CG
|
B:ARG450
|
4.5
|
47.3
|
1.0
|
CD1
|
B:TRP454
|
4.7
|
35.2
|
1.0
|
CA
|
B:MET453
|
4.7
|
38.4
|
1.0
|
CG
|
B:TRP454
|
4.7
|
42.1
|
1.0
|
CZ
|
B:ARG450
|
4.8
|
63.8
|
1.0
|
CE
|
B:LYS457
|
4.9
|
77.9
|
1.0
|
N
|
B:ILE451
|
5.0
|
36.3
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 6zuc
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Chlorine Binding Sites List in 6zuc
Chlorine binding site 4 out
of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl608
b:52.6
occ:1.00
|
N
|
B:HIS248
|
3.0
|
42.0
|
1.0
|
N
|
B:LYS249
|
3.2
|
36.5
|
1.0
|
CA
|
B:GLY247
|
3.3
|
38.3
|
1.0
|
CD
|
B:LYS249
|
3.5
|
64.7
|
1.0
|
CG
|
B:LYS249
|
3.5
|
55.0
|
1.0
|
C
|
B:GLY247
|
3.6
|
34.4
|
1.0
|
CB
|
B:LYS249
|
3.7
|
43.0
|
1.0
|
CG1
|
B:VAL325
|
4.0
|
44.1
|
1.0
|
CA
|
B:LYS249
|
4.1
|
33.7
|
1.0
|
CA
|
B:HIS248
|
4.1
|
53.4
|
1.0
|
C
|
B:HIS248
|
4.1
|
42.4
|
1.0
|
CG2
|
B:VAL325
|
4.2
|
48.3
|
1.0
|
ND1
|
B:HIS248
|
4.3
|
49.6
|
1.0
|
CG
|
B:HIS248
|
4.4
|
50.5
|
1.0
|
CE1
|
B:HIS248
|
4.5
|
48.2
|
1.0
|
CD2
|
B:HIS248
|
4.5
|
49.2
|
1.0
|
NE2
|
B:HIS248
|
4.6
|
51.8
|
1.0
|
CE
|
B:LYS249
|
4.6
|
76.1
|
1.0
|
CB
|
B:ALA321
|
4.6
|
63.6
|
1.0
|
N
|
B:GLY247
|
4.7
|
37.4
|
1.0
|
O
|
B:GLY247
|
4.7
|
31.1
|
1.0
|
CB
|
B:VAL325
|
4.7
|
47.0
|
1.0
|
O
|
B:GLY246
|
4.8
|
45.2
|
1.0
|
CB
|
B:HIS248
|
4.8
|
51.7
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 6zuc
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Chlorine Binding Sites List in 6zuc
Chlorine binding site 5 out
of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl609
b:108.4
occ:1.00
|
CB
|
B:ASP367
|
3.5
|
52.3
|
1.0
|
OE1
|
B:GLN384
|
3.6
|
74.9
|
1.0
|
CD2
|
B:TYR372
|
3.9
|
56.2
|
1.0
|
CE2
|
B:TYR372
|
3.9
|
57.7
|
1.0
|
CA
|
B:ASP367
|
4.0
|
51.2
|
1.0
|
CG1
|
B:VAL382
|
4.5
|
51.2
|
1.0
|
CD
|
B:GLN384
|
4.5
|
67.9
|
1.0
|
NE2
|
B:GLN384
|
4.7
|
75.9
|
1.0
|
O
|
B:ASP367
|
4.7
|
52.1
|
1.0
|
CB
|
B:ALA388
|
4.7
|
41.8
|
1.0
|
CG
|
B:ASP367
|
4.9
|
71.8
|
1.0
|
C
|
B:ASP367
|
4.9
|
47.0
|
1.0
|
CG
|
B:TYR372
|
5.0
|
55.1
|
1.0
|
O
|
B:PRO366
|
5.0
|
45.2
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 6zuc
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Chlorine Binding Sites List in 6zuc
Chlorine binding site 6 out
of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl610
b:125.4
occ:1.00
|
CG
|
B:GLN285
|
3.3
|
68.6
|
1.0
|
CD
|
B:LYS288
|
3.9
|
62.5
|
1.0
|
CB
|
B:LYS288
|
4.0
|
51.0
|
1.0
|
CA
|
B:GLN285
|
4.0
|
55.6
|
1.0
|
CB
|
B:GLN285
|
4.1
|
58.4
|
1.0
|
CD1
|
B:ILE269
|
4.2
|
83.2
|
1.0
|
O
|
B:GLN285
|
4.2
|
50.3
|
1.0
|
CD
|
B:GLN285
|
4.3
|
82.0
|
1.0
|
NE2
|
B:GLN285
|
4.6
|
76.5
|
1.0
|
CG
|
B:LYS288
|
4.6
|
58.1
|
1.0
|
C
|
B:GLN285
|
4.6
|
46.7
|
1.0
|
CG2
|
B:ILE269
|
4.6
|
78.9
|
1.0
|
CE
|
B:LYS288
|
4.8
|
70.5
|
1.0
|
CG1
|
B:ILE269
|
4.9
|
84.3
|
1.0
|
CG2
|
B:VAL289
|
5.0
|
49.5
|
1.0
|
|
Reference:
A.Albert,
L.Infantes,
J.L.Benavente.
X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex To Be Published.
Page generated: Mon Jul 29 18:11:48 2024
|