Chlorine in PDB 1n11: D34 Region of Human Ankyrin-R and Linker
Protein crystallography data
The structure of D34 Region of Human Ankyrin-R and Linker, PDB code: 1n11
was solved by
P.Michaely,
D.R.Tomchick,
M.Machius,
R.G.W.Anderson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.70
|
Space group
|
P 63 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
137.329,
137.329,
197.801,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
31.9 /
30.3
|
Other elements in 1n11:
The structure of D34 Region of Human Ankyrin-R and Linker also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the D34 Region of Human Ankyrin-R and Linker
(pdb code 1n11). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
D34 Region of Human Ankyrin-R and Linker, PDB code: 1n11:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 1n11
Go back to
Chlorine Binding Sites List in 1n11
Chlorine binding site 1 out
of 9 in the D34 Region of Human Ankyrin-R and Linker
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1002
b:0.5
occ:1.00
|
NE2
|
A:GLN744
|
3.4
|
0.8
|
1.0
|
NE2
|
A:HIS746
|
3.5
|
0.7
|
1.0
|
CE1
|
A:HIS746
|
3.8
|
0.3
|
1.0
|
O
|
A:HIS710
|
3.8
|
0.8
|
1.0
|
CA
|
A:TYR711
|
4.0
|
0.5
|
1.0
|
C
|
A:TYR711
|
4.4
|
0.6
|
1.0
|
N
|
A:GLY712
|
4.4
|
0.3
|
1.0
|
CB
|
A:GLN744
|
4.5
|
0.5
|
1.0
|
CD
|
A:GLN744
|
4.5
|
1.0
|
1.0
|
CG
|
A:GLN744
|
4.7
|
0.2
|
1.0
|
C
|
A:HIS710
|
4.7
|
0.8
|
1.0
|
CD2
|
A:HIS746
|
4.8
|
0.4
|
1.0
|
N
|
A:TYR711
|
4.8
|
0.2
|
1.0
|
CB
|
A:TYR711
|
4.9
|
0.1
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 1n11
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Chlorine Binding Sites List in 1n11
Chlorine binding site 2 out
of 9 in the D34 Region of Human Ankyrin-R and Linker
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1003
b:0.2
occ:1.00
|
NE2
|
A:HIS579
|
3.5
|
0.6
|
1.0
|
CG2
|
A:VAL575
|
4.2
|
96.3
|
1.0
|
CZ
|
A:PHE537
|
4.2
|
0.6
|
1.0
|
CE1
|
A:HIS579
|
4.2
|
0.9
|
1.0
|
CD2
|
A:HIS579
|
4.5
|
0.3
|
1.0
|
CD2
|
A:HIS578
|
4.5
|
0.9
|
1.0
|
CL
|
A:CL1008
|
4.7
|
0.8
|
1.0
|
CG1
|
A:VAL575
|
4.7
|
99.3
|
1.0
|
CA
|
A:VAL575
|
4.8
|
99.3
|
1.0
|
CB
|
A:VAL575
|
4.8
|
97.9
|
1.0
|
CG
|
A:HIS578
|
4.8
|
0.0
|
1.0
|
CD2
|
A:LEU570
|
4.8
|
99.5
|
1.0
|
CE1
|
A:PHE537
|
4.8
|
0.8
|
1.0
|
CE
|
A:LYS545
|
4.9
|
0.1
|
1.0
|
NE2
|
A:HIS578
|
4.9
|
0.8
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 1n11
Go back to
Chlorine Binding Sites List in 1n11
Chlorine binding site 3 out
of 9 in the D34 Region of Human Ankyrin-R and Linker
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1004
b:0.5
occ:1.00
|
O
|
A:ASN580
|
2.9
|
0.6
|
1.0
|
O
|
A:HIS579
|
3.2
|
0.7
|
1.0
|
OD1
|
A:ASN581
|
3.7
|
0.2
|
1.0
|
ND2
|
A:ASN581
|
3.7
|
0.5
|
1.0
|
CG
|
A:ASN581
|
3.8
|
0.2
|
1.0
|
C
|
A:ASN580
|
3.9
|
0.1
|
1.0
|
C
|
A:HIS579
|
4.2
|
0.5
|
1.0
|
N
|
A:ASN581
|
4.7
|
0.4
|
1.0
|
CA
|
A:ASN581
|
4.7
|
0.4
|
1.0
|
CA
|
A:ASN580
|
4.8
|
0.7
|
1.0
|
CB
|
A:ASN581
|
4.8
|
0.5
|
1.0
|
N
|
A:ASN580
|
4.9
|
0.6
|
1.0
|
CB
|
A:ASN580
|
5.0
|
0.3
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 1n11
Go back to
Chlorine Binding Sites List in 1n11
Chlorine binding site 4 out
of 9 in the D34 Region of Human Ankyrin-R and Linker
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1005
b:0.8
occ:1.00
|
OG1
|
A:THR697
|
2.9
|
97.7
|
1.0
|
O
|
A:THR697
|
3.0
|
0.4
|
1.0
|
O
|
A:THR698
|
3.5
|
0.8
|
1.0
|
C
|
A:THR697
|
3.8
|
1.0
|
1.0
|
CB
|
A:THR697
|
4.1
|
97.5
|
1.0
|
C
|
A:THR698
|
4.2
|
0.6
|
1.0
|
CA
|
A:THR697
|
4.4
|
99.9
|
1.0
|
N
|
A:THR698
|
4.6
|
0.0
|
1.0
|
N
|
A:THR697
|
4.7
|
0.7
|
1.0
|
CA
|
A:THR698
|
4.8
|
0.2
|
1.0
|
N
|
A:ARG699
|
4.9
|
0.7
|
1.0
|
CA
|
A:ARG699
|
5.0
|
0.6
|
1.0
|
|
Chlorine binding site 5 out
of 9 in 1n11
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Chlorine Binding Sites List in 1n11
Chlorine binding site 5 out
of 9 in the D34 Region of Human Ankyrin-R and Linker
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1006
b:0.4
occ:1.00
|
N
|
A:ASN464
|
3.3
|
1.0
|
1.0
|
N
|
A:VAL463
|
3.5
|
0.7
|
1.0
|
CB
|
A:LYS462
|
3.5
|
0.9
|
1.0
|
CB
|
A:ASN464
|
3.7
|
0.5
|
1.0
|
ND2
|
A:ASN464
|
3.7
|
0.8
|
1.0
|
CA
|
A:LYS462
|
3.8
|
0.4
|
1.0
|
CA
|
A:ASN464
|
3.9
|
0.2
|
1.0
|
C
|
A:LYS462
|
4.0
|
0.1
|
1.0
|
CG
|
A:ASN464
|
4.1
|
0.0
|
1.0
|
C
|
A:ASN464
|
4.1
|
1.0
|
1.0
|
N
|
A:ALA465
|
4.2
|
0.6
|
1.0
|
CG
|
A:LYS462
|
4.3
|
0.3
|
1.0
|
CG2
|
A:VAL463
|
4.3
|
0.4
|
1.0
|
C
|
A:VAL463
|
4.3
|
0.4
|
1.0
|
CA
|
A:VAL463
|
4.4
|
0.2
|
1.0
|
CD
|
A:LYS462
|
4.6
|
0.5
|
1.0
|
O
|
A:ASN464
|
4.8
|
0.8
|
1.0
|
O
|
A:LYS462
|
5.0
|
0.8
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 1n11
Go back to
Chlorine Binding Sites List in 1n11
Chlorine binding site 6 out
of 9 in the D34 Region of Human Ankyrin-R and Linker
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1007
b:0.5
occ:1.00
|
N
|
A:THR483
|
2.7
|
0.9
|
1.0
|
OD1
|
A:ASN484
|
3.0
|
0.1
|
1.0
|
CB
|
A:THR483
|
3.2
|
0.0
|
1.0
|
CA
|
A:THR483
|
3.3
|
0.9
|
1.0
|
C
|
A:HIS482
|
3.3
|
0.5
|
1.0
|
N
|
A:ASN484
|
3.5
|
0.6
|
1.0
|
CA
|
A:HIS482
|
3.6
|
0.1
|
1.0
|
OG1
|
A:THR483
|
3.8
|
0.5
|
1.0
|
C
|
A:THR483
|
3.9
|
0.1
|
1.0
|
O
|
A:GLY481
|
4.1
|
0.4
|
1.0
|
CG
|
A:ASN484
|
4.1
|
0.5
|
1.0
|
ND1
|
A:HIS482
|
4.1
|
0.8
|
1.0
|
O
|
A:HIS482
|
4.2
|
0.8
|
1.0
|
CG2
|
A:THR483
|
4.4
|
0.5
|
1.0
|
CG
|
A:HIS482
|
4.5
|
1.0
|
1.0
|
N
|
A:HIS482
|
4.6
|
0.2
|
1.0
|
CB
|
A:ASN484
|
4.6
|
0.6
|
1.0
|
CB
|
A:HIS482
|
4.7
|
0.4
|
1.0
|
CA
|
A:ASN484
|
4.7
|
0.4
|
1.0
|
CE1
|
A:HIS482
|
4.7
|
0.4
|
1.0
|
C
|
A:GLY481
|
4.8
|
0.9
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 1n11
Go back to
Chlorine Binding Sites List in 1n11
Chlorine binding site 7 out
of 9 in the D34 Region of Human Ankyrin-R and Linker
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1008
b:0.8
occ:1.00
|
CL
|
A:CL1009
|
3.4
|
0.2
|
1.0
|
CL
|
A:CL1003
|
4.7
|
0.2
|
1.0
|
NE2
|
A:HIS578
|
4.7
|
0.8
|
1.0
|
CD2
|
A:LEU570
|
4.8
|
99.5
|
1.0
|
CD2
|
A:HIS578
|
4.9
|
0.9
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 1n11
Go back to
Chlorine Binding Sites List in 1n11
Chlorine binding site 8 out
of 9 in the D34 Region of Human Ankyrin-R and Linker
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1009
b:0.2
occ:1.00
|
NE2
|
A:HIS578
|
3.4
|
0.8
|
1.0
|
CL
|
A:CL1008
|
3.4
|
0.8
|
1.0
|
CD2
|
A:HIS578
|
4.2
|
0.9
|
1.0
|
CE1
|
A:HIS578
|
4.4
|
0.7
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 1n11
Go back to
Chlorine Binding Sites List in 1n11
Chlorine binding site 9 out
of 9 in the D34 Region of Human Ankyrin-R and Linker
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of D34 Region of Human Ankyrin-R and Linker within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1010
b:0.7
occ:1.00
|
N
|
A:ASN713
|
2.7
|
0.6
|
1.0
|
CB
|
A:ASN713
|
2.8
|
0.2
|
1.0
|
CA
|
A:ASN713
|
3.2
|
0.6
|
1.0
|
C
|
A:GLY712
|
3.2
|
0.9
|
1.0
|
O
|
A:GLN677
|
3.3
|
0.3
|
1.0
|
O
|
A:ALA676
|
3.6
|
0.5
|
1.0
|
N
|
A:GLY712
|
3.7
|
0.3
|
1.0
|
CA
|
A:GLY712
|
3.8
|
0.1
|
1.0
|
O
|
A:ASN713
|
3.8
|
0.2
|
1.0
|
O
|
A:GLY712
|
3.9
|
0.3
|
1.0
|
C
|
A:ASN713
|
4.0
|
0.1
|
1.0
|
N
|
A:GLY679
|
4.0
|
0.7
|
1.0
|
CA
|
A:GLY679
|
4.0
|
0.9
|
1.0
|
C
|
A:TYR711
|
4.2
|
0.6
|
1.0
|
CG
|
A:ASN713
|
4.2
|
0.0
|
1.0
|
C
|
A:GLN677
|
4.2
|
0.7
|
1.0
|
CB
|
A:TYR711
|
4.3
|
0.1
|
1.0
|
C
|
A:GLU678
|
4.3
|
0.4
|
1.0
|
O
|
A:ALA708
|
4.5
|
0.9
|
1.0
|
O
|
A:GLU678
|
4.5
|
0.3
|
1.0
|
O
|
A:TYR711
|
4.7
|
0.9
|
1.0
|
ND2
|
A:ASN713
|
4.7
|
0.0
|
1.0
|
C
|
A:ALA676
|
4.8
|
0.1
|
1.0
|
CA
|
A:TYR711
|
4.9
|
0.5
|
1.0
|
CA
|
A:GLU678
|
5.0
|
0.7
|
1.0
|
N
|
A:GLU678
|
5.0
|
0.8
|
1.0
|
|
Reference:
P.Michaely,
D.R.Tomchick,
M.Machius,
R.G.W.Anderson.
Crystal Structure of A 12 Ank Repeat Stack From Human Ankyrinr Embo J. V. 21 6387 2002.
ISSN: ISSN 0261-4189
PubMed: 12456646
DOI: 10.1093/EMBOJ/CDF651
Page generated: Sat Jul 20 00:16:04 2024
|