Chlorine in PDB 8fym: Crystal Structure of FAB235 in Complex with Mper Peptide
Protein crystallography data
The structure of Crystal Structure of FAB235 in Complex with Mper Peptide, PDB code: 8fym
was solved by
K.Tan,
M.Kim,
E.L.Reinherz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.95 /
2.45
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
43.481,
108.3,
121.209,
85.63,
82.95,
85.59
|
R / Rfree (%)
|
20 /
24.4
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of FAB235 in Complex with Mper Peptide
(pdb code 8fym). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of FAB235 in Complex with Mper Peptide, PDB code: 8fym:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 8fym
Go back to
Chlorine Binding Sites List in 8fym
Chlorine binding site 1 out
of 4 in the Crystal Structure of FAB235 in Complex with Mper Peptide
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 FAB235 in Complex with Mper Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl301
b:28.0
occ:1.00
|
OG
|
E:SER106
|
3.0
|
22.4
|
1.0
|
ND2
|
F:ASN674
|
3.2
|
24.3
|
1.0
|
N
|
E:SER106
|
3.3
|
25.5
|
1.0
|
ND2
|
F:ASN677
|
3.5
|
18.8
|
1.0
|
CB
|
E:SER106
|
3.7
|
23.2
|
1.0
|
CA
|
F:ASN674
|
3.7
|
24.1
|
1.0
|
CE1
|
E:TYR107
|
3.7
|
26.6
|
1.0
|
CB
|
F:ASN674
|
4.0
|
24.9
|
1.0
|
CD1
|
E:TYR107
|
4.1
|
27.2
|
1.0
|
CG
|
F:ASN674
|
4.1
|
26.4
|
1.0
|
CA
|
E:SER106
|
4.1
|
22.7
|
1.0
|
CA
|
E:SER105
|
4.1
|
27.2
|
1.0
|
CB
|
F:ASN677
|
4.1
|
22.6
|
1.0
|
C
|
E:SER105
|
4.2
|
25.6
|
1.0
|
O
|
F:ASN674
|
4.2
|
19.8
|
1.0
|
O
|
E:GLY104
|
4.3
|
24.1
|
1.0
|
CG
|
F:ASN677
|
4.3
|
25.2
|
1.0
|
C
|
F:ASN674
|
4.5
|
21.5
|
1.0
|
CE2
|
F:PHE673
|
4.6
|
23.4
|
1.0
|
N
|
F:ASN674
|
4.6
|
22.0
|
1.0
|
O
|
F:PHE673
|
4.7
|
23.1
|
1.0
|
CZ
|
E:TYR107
|
4.7
|
27.6
|
1.0
|
OG
|
E:SER105
|
4.8
|
25.2
|
1.0
|
CD2
|
F:PHE673
|
4.8
|
22.3
|
1.0
|
C
|
E:SER106
|
4.9
|
23.4
|
1.0
|
CB
|
E:SER105
|
4.9
|
22.8
|
1.0
|
N
|
E:TYR107
|
4.9
|
22.6
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 8fym
Go back to
Chlorine Binding Sites List in 8fym
Chlorine binding site 2 out
of 4 in the Crystal Structure of FAB235 in Complex with Mper Peptide
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 FAB235 in Complex with Mper Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl302
b:50.2
occ:1.00
|
O3
|
D:GOL301
|
3.3
|
45.2
|
1.0
|
OG
|
E:SER105
|
3.8
|
25.2
|
1.0
|
CB
|
E:SER105
|
4.1
|
22.8
|
1.0
|
OH
|
D:TYR38
|
4.4
|
24.6
|
1.0
|
C3
|
D:GOL301
|
4.5
|
35.5
|
1.0
|
O2
|
D:GOL301
|
4.5
|
36.7
|
1.0
|
CE2
|
D:TYR31
|
4.6
|
36.1
|
1.0
|
CD1
|
E:TYR107
|
4.7
|
27.2
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 8fym
Go back to
Chlorine Binding Sites List in 8fym
Chlorine binding site 3 out
of 4 in the Crystal Structure of FAB235 in Complex with Mper Peptide
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 FAB235 in Complex with Mper Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl301
b:56.5
occ:1.00
|
O1
|
G:GOL302
|
3.0
|
43.0
|
1.0
|
O
|
I:HOH413
|
3.8
|
26.9
|
1.0
|
OG
|
I:SER105
|
3.9
|
28.9
|
1.0
|
OH
|
G:TYR38
|
4.1
|
31.5
|
1.0
|
C1
|
G:GOL302
|
4.1
|
37.2
|
1.0
|
CE2
|
G:TYR31
|
4.1
|
41.4
|
1.0
|
CB
|
I:SER105
|
4.4
|
25.0
|
1.0
|
CD2
|
G:TYR31
|
4.8
|
40.4
|
1.0
|
OH
|
G:TYR31
|
4.9
|
44.4
|
1.0
|
CZ
|
G:TYR31
|
4.9
|
45.2
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 8fym
Go back to
Chlorine Binding Sites List in 8fym
Chlorine binding site 4 out
of 4 in the Crystal Structure of FAB235 in Complex with Mper Peptide
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 FAB235 in Complex with Mper Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Cl301
b:23.9
occ:1.00
|
ND2
|
J:ASN674
|
2.9
|
26.4
|
1.0
|
OG
|
I:SER106
|
3.0
|
22.8
|
1.0
|
N
|
I:SER106
|
3.4
|
23.1
|
1.0
|
ND2
|
J:ASN677
|
3.4
|
21.5
|
1.0
|
CB
|
I:SER106
|
3.5
|
21.0
|
1.0
|
CA
|
J:ASN674
|
3.8
|
21.4
|
1.0
|
CE1
|
I:TYR107
|
3.8
|
32.6
|
1.0
|
CG
|
J:ASN674
|
3.9
|
26.4
|
1.0
|
CB
|
J:ASN677
|
4.0
|
24.2
|
1.0
|
CA
|
I:SER106
|
4.0
|
26.4
|
1.0
|
CD1
|
I:TYR107
|
4.1
|
29.8
|
1.0
|
CB
|
J:ASN674
|
4.1
|
24.2
|
1.0
|
CG
|
J:ASN677
|
4.2
|
21.9
|
1.0
|
C
|
I:SER105
|
4.2
|
25.9
|
1.0
|
O
|
I:GLY104
|
4.3
|
27.4
|
1.0
|
CA
|
I:SER105
|
4.3
|
27.6
|
1.0
|
O
|
J:ASN674
|
4.3
|
25.7
|
1.0
|
C
|
J:ASN674
|
4.6
|
25.1
|
1.0
|
CE2
|
J:PHE673
|
4.6
|
23.5
|
1.0
|
N
|
J:ASN674
|
4.7
|
23.1
|
1.0
|
O
|
J:PHE673
|
4.7
|
24.2
|
1.0
|
CD2
|
J:PHE673
|
4.8
|
23.1
|
1.0
|
CZ
|
I:TYR107
|
4.8
|
33.9
|
1.0
|
C
|
I:SER106
|
4.9
|
26.1
|
1.0
|
OG
|
I:SER105
|
4.9
|
28.9
|
1.0
|
N
|
I:TYR107
|
4.9
|
25.4
|
1.0
|
OD1
|
J:ASN674
|
5.0
|
27.4
|
1.0
|
|
Reference:
K.Tan,
M.Kim,
E.L.Reinherz.
Crystal Structure of FAB235 in Complex with Mper Peptide To Be Published.
Page generated: Tue Jul 30 09:51:13 2024
|