Chlorine in PDB 6hpp: X-Ray Structure of Glic in Complex with Propionate
Protein crystallography data
The structure of X-Ray Structure of Glic in Complex with Propionate, PDB code: 6hpp
was solved by
Z.Fourati,
M.Delarue,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
3.20
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
180.690,
133.730,
158.890,
90.00,
101.38,
90.00
|
R / Rfree (%)
|
19.4 /
20.1
|
Other elements in 6hpp:
The structure of X-Ray Structure of Glic in Complex with Propionate also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the X-Ray Structure of Glic in Complex with Propionate
(pdb code 6hpp). 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 Glic in Complex with Propionate, PDB code: 6hpp:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 6hpp
Go back to
Chlorine Binding Sites List in 6hpp
Chlorine binding site 1 out
of 7 in the X-Ray Structure of Glic in Complex with Propionate
 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 Glic in Complex with Propionate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl401
b:0.2
occ:1.00
|
N
|
A:PHE78
|
3.3
|
0.1
|
1.0
|
CG2
|
A:VAL81
|
3.8
|
1.0
|
1.0
|
CD2
|
A:PHE78
|
3.8
|
0.2
|
1.0
|
CG
|
A:ARG85
|
3.8
|
0.7
|
1.0
|
CB
|
A:PHE78
|
3.8
|
0.6
|
1.0
|
N
|
A:ARG85
|
3.9
|
0.8
|
1.0
|
O
|
A:PHE78
|
4.0
|
0.2
|
1.0
|
CA
|
A:PHE78
|
4.0
|
0.9
|
1.0
|
CA
|
A:ARG77
|
4.1
|
0.3
|
1.0
|
C
|
A:ARG77
|
4.1
|
0.9
|
1.0
|
CA
|
A:ALA84
|
4.2
|
0.3
|
1.0
|
NH1
|
A:ARG85
|
4.3
|
0.0
|
1.0
|
CG
|
A:PHE78
|
4.3
|
0.2
|
1.0
|
CB
|
A:ARG77
|
4.3
|
0.3
|
1.0
|
CB
|
A:ARG85
|
4.4
|
0.1
|
1.0
|
C
|
A:PHE78
|
4.5
|
0.7
|
1.0
|
C
|
A:ALA84
|
4.6
|
0.8
|
1.0
|
CD
|
A:ARG85
|
4.8
|
0.5
|
1.0
|
CB
|
A:ALA84
|
4.8
|
0.4
|
1.0
|
CA
|
A:ARG85
|
4.8
|
0.7
|
1.0
|
CG
|
A:ARG77
|
4.9
|
0.4
|
1.0
|
CE2
|
A:PHE78
|
4.9
|
0.9
|
1.0
|
CB
|
A:VAL81
|
4.9
|
0.3
|
1.0
|
NH1
|
E:ARG105
|
5.0
|
0.2
|
1.0
|
O
|
A:ASN83
|
5.0
|
0.7
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 6hpp
Go back to
Chlorine Binding Sites List in 6hpp
Chlorine binding site 2 out
of 7 in the X-Ray Structure of Glic in Complex with Propionate
 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 Glic in Complex with Propionate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl402
b:0.1
occ:1.00
|
OD1
|
A:ASN139
|
3.2
|
0.9
|
1.0
|
N
|
A:LEU180
|
3.4
|
0.9
|
1.0
|
CA
|
A:ARG179
|
3.9
|
1.0
|
1.0
|
CB
|
A:LEU180
|
3.9
|
0.6
|
1.0
|
CG
|
A:ASN139
|
4.0
|
0.0
|
1.0
|
C
|
A:ARG179
|
4.1
|
0.9
|
1.0
|
O
|
A:ASP178
|
4.2
|
0.9
|
1.0
|
ND2
|
A:ASN139
|
4.2
|
0.3
|
1.0
|
CA
|
A:LEU180
|
4.3
|
0.6
|
1.0
|
CD
|
A:ARG179
|
4.3
|
0.6
|
1.0
|
CB
|
A:ARG179
|
4.6
|
0.2
|
1.0
|
CB
|
A:SER134
|
4.6
|
0.2
|
1.0
|
CG
|
A:ARG179
|
4.8
|
0.3
|
1.0
|
N
|
A:ARG179
|
4.9
|
0.0
|
1.0
|
C
|
A:ASP178
|
4.9
|
0.9
|
1.0
|
|
Chlorine binding site 3 out
of 7 in 6hpp
Go back to
Chlorine Binding Sites List in 6hpp
Chlorine binding site 3 out
of 7 in the X-Ray Structure of Glic in Complex with Propionate
 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 Glic in Complex with Propionate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl403
b:0.8
occ:1.00
|
N
|
A:ALA175
|
3.1
|
0.0
|
1.0
|
CB
|
A:ALA175
|
3.7
|
0.6
|
1.0
|
CA
|
A:PHE174
|
3.9
|
0.9
|
1.0
|
CA
|
A:ALA175
|
3.9
|
1.0
|
1.0
|
C
|
A:PHE174
|
4.0
|
0.9
|
1.0
|
CB
|
A:PHE174
|
4.1
|
0.9
|
1.0
|
O
|
A:ALA175
|
4.3
|
0.5
|
1.0
|
C
|
A:ALA175
|
4.7
|
0.3
|
1.0
|
|
Chlorine binding site 4 out
of 7 in 6hpp
Go back to
Chlorine Binding Sites List in 6hpp
Chlorine binding site 4 out
of 7 in the X-Ray Structure of Glic in Complex with Propionate
 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 Glic in Complex with Propionate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl401
b:0.1
occ:1.00
|
N
|
B:PHE78
|
3.0
|
0.2
|
1.0
|
CD2
|
B:PHE78
|
3.6
|
0.3
|
1.0
|
CB
|
B:PHE78
|
3.6
|
0.2
|
1.0
|
CG2
|
B:VAL81
|
3.8
|
99.1
|
1.0
|
CA
|
B:PHE78
|
3.8
|
0.0
|
1.0
|
CG
|
B:ARG85
|
3.8
|
0.1
|
1.0
|
O
|
B:PHE78
|
3.9
|
0.1
|
1.0
|
CA
|
B:ARG77
|
3.9
|
98.2
|
1.0
|
C
|
B:ARG77
|
3.9
|
0.4
|
1.0
|
CG
|
B:PHE78
|
4.0
|
0.8
|
1.0
|
NH1
|
B:ARG85
|
4.1
|
0.1
|
1.0
|
N
|
B:ARG85
|
4.1
|
0.1
|
1.0
|
CB
|
B:ARG77
|
4.2
|
98.5
|
1.0
|
C
|
B:PHE78
|
4.4
|
0.3
|
1.0
|
CB
|
B:ARG85
|
4.5
|
0.0
|
1.0
|
CA
|
B:ALA84
|
4.5
|
1.0
|
1.0
|
CE2
|
B:PHE78
|
4.7
|
0.9
|
1.0
|
CD
|
B:ARG85
|
4.7
|
0.2
|
1.0
|
CG
|
B:ARG77
|
4.8
|
0.8
|
1.0
|
C
|
B:ALA84
|
4.9
|
0.8
|
1.0
|
CZ
|
B:ARG85
|
4.9
|
0.8
|
1.0
|
CB
|
B:VAL81
|
4.9
|
98.2
|
1.0
|
CA
|
B:ARG85
|
5.0
|
0.8
|
1.0
|
CG1
|
B:VAL81
|
5.0
|
96.1
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 6hpp
Go back to
Chlorine Binding Sites List in 6hpp
Chlorine binding site 5 out
of 7 in the X-Ray Structure of Glic in Complex with Propionate
 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 Glic in Complex with Propionate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl401
b:0.1
occ:1.00
|
N
|
C:PHE78
|
3.2
|
0.5
|
1.0
|
CD2
|
C:PHE78
|
3.6
|
0.2
|
1.0
|
CB
|
C:PHE78
|
3.7
|
0.8
|
1.0
|
CG
|
C:ARG85
|
3.8
|
0.5
|
1.0
|
CG2
|
C:VAL81
|
3.8
|
0.2
|
1.0
|
CA
|
C:PHE78
|
3.9
|
0.2
|
1.0
|
O
|
C:PHE78
|
4.0
|
0.5
|
1.0
|
CA
|
C:ARG77
|
4.0
|
0.8
|
1.0
|
N
|
C:ARG85
|
4.0
|
0.7
|
1.0
|
C
|
C:ARG77
|
4.0
|
0.6
|
1.0
|
CG
|
C:PHE78
|
4.1
|
0.7
|
1.0
|
NH1
|
C:ARG85
|
4.1
|
0.2
|
1.0
|
CB
|
C:ARG77
|
4.3
|
0.2
|
1.0
|
CB
|
C:ARG85
|
4.4
|
0.8
|
1.0
|
CA
|
C:ALA84
|
4.4
|
0.8
|
1.0
|
C
|
C:PHE78
|
4.5
|
0.7
|
1.0
|
CE2
|
C:PHE78
|
4.7
|
1.0
|
1.0
|
CD
|
C:ARG85
|
4.7
|
0.8
|
1.0
|
C
|
C:ALA84
|
4.8
|
0.5
|
1.0
|
CG
|
C:ARG77
|
4.8
|
0.8
|
1.0
|
CA
|
C:ARG85
|
4.9
|
0.8
|
1.0
|
NH1
|
B:ARG105
|
4.9
|
0.4
|
1.0
|
CB
|
C:VAL81
|
4.9
|
0.9
|
1.0
|
CZ
|
C:ARG85
|
4.9
|
0.9
|
1.0
|
CG1
|
C:VAL81
|
5.0
|
0.4
|
1.0
|
|
Chlorine binding site 6 out
of 7 in 6hpp
Go back to
Chlorine Binding Sites List in 6hpp
Chlorine binding site 6 out
of 7 in the X-Ray Structure of Glic in Complex with Propionate
 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 Glic in Complex with Propionate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl401
b:0.4
occ:1.00
|
N
|
D:PHE78
|
3.3
|
99.8
|
1.0
|
CG
|
D:ARG85
|
3.7
|
0.5
|
1.0
|
CD2
|
D:PHE78
|
3.8
|
0.1
|
1.0
|
N
|
D:ARG85
|
3.8
|
1.0
|
1.0
|
CB
|
D:PHE78
|
4.0
|
0.7
|
1.0
|
CG2
|
D:VAL81
|
4.0
|
99.7
|
1.0
|
CA
|
D:ARG77
|
4.0
|
98.1
|
1.0
|
NH1
|
D:ARG85
|
4.1
|
0.0
|
1.0
|
C
|
D:ARG77
|
4.1
|
0.6
|
1.0
|
CA
|
D:PHE78
|
4.1
|
99.7
|
1.0
|
O
|
D:PHE78
|
4.2
|
1.0
|
1.0
|
CA
|
D:ALA84
|
4.2
|
0.4
|
1.0
|
CB
|
D:ARG77
|
4.3
|
99.0
|
1.0
|
CG
|
D:PHE78
|
4.4
|
0.5
|
1.0
|
CB
|
D:ARG85
|
4.4
|
0.8
|
1.0
|
C
|
D:ALA84
|
4.6
|
0.2
|
1.0
|
CD
|
D:ARG85
|
4.7
|
0.0
|
1.0
|
C
|
D:PHE78
|
4.7
|
0.5
|
1.0
|
CG
|
D:ARG77
|
4.7
|
0.7
|
1.0
|
CA
|
D:ARG85
|
4.7
|
1.0
|
1.0
|
CB
|
D:ALA84
|
4.8
|
0.8
|
1.0
|
CE2
|
D:PHE78
|
4.9
|
0.8
|
1.0
|
CZ
|
D:ARG85
|
4.9
|
0.1
|
1.0
|
|
Chlorine binding site 7 out
of 7 in 6hpp
Go back to
Chlorine Binding Sites List in 6hpp
Chlorine binding site 7 out
of 7 in the X-Ray Structure of Glic in Complex with Propionate
 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 Glic in Complex with Propionate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl401
b:0.0
occ:1.00
|
N
|
E:PHE78
|
3.4
|
0.7
|
1.0
|
CG2
|
E:VAL81
|
3.6
|
0.1
|
1.0
|
N
|
E:ARG85
|
3.9
|
0.7
|
1.0
|
CB
|
E:PHE78
|
3.9
|
0.3
|
1.0
|
CD2
|
E:PHE78
|
4.0
|
0.1
|
1.0
|
CG
|
E:ARG85
|
4.0
|
0.3
|
1.0
|
O
|
E:PHE78
|
4.0
|
0.1
|
1.0
|
CA
|
E:ALA84
|
4.0
|
0.6
|
1.0
|
CA
|
E:PHE78
|
4.2
|
0.7
|
1.0
|
CA
|
E:ARG77
|
4.3
|
0.7
|
1.0
|
C
|
E:ARG77
|
4.3
|
0.2
|
1.0
|
CB
|
E:ARG77
|
4.4
|
0.7
|
1.0
|
CG
|
E:PHE78
|
4.4
|
0.5
|
1.0
|
C
|
E:ALA84
|
4.5
|
0.1
|
1.0
|
CB
|
E:ARG85
|
4.5
|
0.3
|
1.0
|
NH1
|
E:ARG85
|
4.6
|
0.6
|
1.0
|
C
|
E:PHE78
|
4.6
|
0.9
|
1.0
|
CB
|
E:ALA84
|
4.7
|
0.3
|
1.0
|
O
|
E:ASN83
|
4.7
|
1.0
|
1.0
|
CB
|
E:VAL81
|
4.8
|
0.8
|
1.0
|
CA
|
E:ARG85
|
4.8
|
0.0
|
1.0
|
N
|
E:ALA84
|
4.9
|
0.3
|
1.0
|
CG
|
E:ARG77
|
5.0
|
0.3
|
1.0
|
CG1
|
E:VAL81
|
5.0
|
0.2
|
1.0
|
NH1
|
D:ARG105
|
5.0
|
0.9
|
1.0
|
|
Reference:
Z.Fourati,
M.Delarue.
Xray Structure of Glic in Complex with Propionate To Be Published.
Page generated: Sun Jul 28 01:01:34 2024
|