Potassium in PDB 5but: Crystal Structure of Inactive Conformation of Ktrab K+ Transporter
Protein crystallography data
The structure of Crystal Structure of Inactive Conformation of Ktrab K+ Transporter, PDB code: 5but
was solved by
R.S.Vieira-Pires,
J.H.Morais-Cabral,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
200.00 /
5.97
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
307.060,
79.410,
205.650,
90.00,
98.10,
90.00
|
R / Rfree (%)
|
32.5 /
33.9
|
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of Inactive Conformation of Ktrab K+ Transporter
(pdb code 5but). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the
Crystal Structure of Inactive Conformation of Ktrab K+ Transporter, PDB code: 5but:
Jump to Potassium binding site number:
1;
2;
3;
4;
Potassium binding site 1 out
of 4 in 5but
Go back to
Potassium Binding Sites List in 5but
Potassium binding site 1 out
of 4 in the Crystal Structure of Inactive Conformation of Ktrab K+ Transporter
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Crystal Structure of Inactive Conformation of Ktrab K+ Transporter within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:K501
b:1.0
occ:1.00
|
O
|
I:THR61
|
3.0
|
1.0
|
1.0
|
O
|
I:ALA176
|
3.1
|
1.0
|
1.0
|
O
|
I:THR390
|
3.2
|
1.0
|
1.0
|
C
|
I:ALA176
|
3.3
|
1.0
|
1.0
|
O
|
I:VAL391
|
3.3
|
1.0
|
1.0
|
C
|
I:VAL391
|
3.4
|
1.0
|
1.0
|
O
|
I:ALA279
|
3.4
|
1.0
|
1.0
|
O
|
I:THR278
|
3.4
|
1.0
|
1.0
|
C
|
I:THR61
|
3.5
|
1.0
|
1.0
|
C
|
I:ALA279
|
3.5
|
1.0
|
1.0
|
O
|
I:ASN175
|
3.5
|
1.0
|
1.0
|
C
|
I:THR278
|
3.5
|
1.0
|
1.0
|
O
|
I:VAL60
|
3.5
|
1.0
|
1.0
|
N
|
I:GLY392
|
3.7
|
1.0
|
1.0
|
CA
|
I:ALA176
|
3.7
|
1.0
|
1.0
|
N
|
I:GLY280
|
3.7
|
1.0
|
1.0
|
C
|
I:THR390
|
3.8
|
1.0
|
1.0
|
C
|
I:ASN175
|
3.8
|
1.0
|
1.0
|
N
|
I:ALA279
|
3.8
|
1.0
|
1.0
|
N
|
I:ALA176
|
3.9
|
1.0
|
1.0
|
CA
|
I:VAL391
|
3.9
|
1.0
|
1.0
|
N
|
I:GLY177
|
4.0
|
1.0
|
1.0
|
CA
|
I:GLY280
|
4.0
|
1.0
|
1.0
|
CA
|
I:GLY392
|
4.0
|
1.0
|
1.0
|
CA
|
I:THR61
|
4.1
|
1.0
|
1.0
|
CA
|
I:ALA279
|
4.1
|
1.0
|
1.0
|
N
|
I:GLY62
|
4.1
|
1.0
|
1.0
|
CA
|
I:THR278
|
4.1
|
1.0
|
1.0
|
N
|
I:VAL391
|
4.1
|
1.0
|
1.0
|
C
|
I:VAL60
|
4.2
|
1.0
|
1.0
|
CA
|
I:GLY62
|
4.4
|
1.0
|
1.0
|
CA
|
I:GLY177
|
4.4
|
1.0
|
1.0
|
N
|
I:THR61
|
4.4
|
1.0
|
1.0
|
CB
|
I:THR278
|
4.6
|
1.0
|
1.0
|
CA
|
I:ASN175
|
4.8
|
1.0
|
1.0
|
CA
|
I:THR390
|
4.8
|
1.0
|
1.0
|
OG1
|
I:THR390
|
4.9
|
1.0
|
1.0
|
CB
|
I:THR390
|
4.9
|
1.0
|
1.0
|
CB
|
I:ASN175
|
4.9
|
1.0
|
1.0
|
OG1
|
I:THR278
|
5.0
|
1.0
|
1.0
|
|
Potassium binding site 2 out
of 4 in 5but
Go back to
Potassium Binding Sites List in 5but
Potassium binding site 2 out
of 4 in the Crystal Structure of Inactive Conformation of Ktrab K+ Transporter
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Crystal Structure of Inactive Conformation of Ktrab K+ Transporter within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:K501
b:1.0
occ:1.00
|
O
|
J:THR390
|
3.0
|
1.0
|
1.0
|
O
|
J:THR61
|
3.1
|
1.0
|
1.0
|
O
|
J:VAL60
|
3.1
|
1.0
|
1.0
|
O
|
J:ALA176
|
3.2
|
1.0
|
1.0
|
O
|
J:ASN175
|
3.3
|
1.0
|
1.0
|
C
|
J:THR61
|
3.4
|
1.0
|
1.0
|
C
|
J:ALA176
|
3.4
|
1.0
|
1.0
|
O
|
J:THR278
|
3.5
|
1.0
|
1.0
|
C
|
J:THR390
|
3.6
|
1.0
|
1.0
|
C
|
J:VAL391
|
3.7
|
1.0
|
1.0
|
C
|
J:THR278
|
3.7
|
1.0
|
1.0
|
C
|
J:ASN175
|
3.7
|
1.0
|
1.0
|
CA
|
J:ALA176
|
3.7
|
1.0
|
1.0
|
C
|
J:VAL60
|
3.7
|
1.0
|
1.0
|
O
|
J:VAL391
|
3.7
|
1.0
|
1.0
|
CA
|
J:THR61
|
3.7
|
1.0
|
1.0
|
N
|
J:ALA176
|
3.9
|
1.0
|
1.0
|
O
|
J:ALA279
|
3.9
|
1.0
|
1.0
|
N
|
J:GLY392
|
4.0
|
1.0
|
1.0
|
C
|
J:ALA279
|
4.0
|
1.0
|
1.0
|
N
|
J:THR61
|
4.0
|
1.0
|
1.0
|
CA
|
J:VAL391
|
4.0
|
1.0
|
1.0
|
N
|
J:VAL391
|
4.1
|
1.0
|
1.0
|
N
|
J:GLY62
|
4.1
|
1.0
|
1.0
|
CA
|
J:THR278
|
4.2
|
1.0
|
1.0
|
N
|
J:ALA279
|
4.2
|
1.0
|
1.0
|
N
|
J:GLY177
|
4.2
|
1.0
|
1.0
|
N
|
J:GLY280
|
4.3
|
1.0
|
1.0
|
CA
|
J:GLY392
|
4.4
|
1.0
|
1.0
|
CB
|
J:THR278
|
4.4
|
1.0
|
1.0
|
CB
|
J:THR390
|
4.4
|
1.0
|
1.0
|
OG1
|
J:THR390
|
4.4
|
1.0
|
1.0
|
CA
|
J:ALA279
|
4.5
|
1.0
|
1.0
|
CA
|
J:THR390
|
4.5
|
1.0
|
1.0
|
CA
|
J:GLY62
|
4.5
|
1.0
|
1.0
|
CA
|
J:GLY280
|
4.5
|
1.0
|
1.0
|
CA
|
J:ASN175
|
4.7
|
1.0
|
1.0
|
CA
|
J:GLY177
|
4.8
|
1.0
|
1.0
|
CB
|
J:ASN175
|
4.8
|
1.0
|
1.0
|
CA
|
J:VAL60
|
4.9
|
1.0
|
1.0
|
OG1
|
J:THR278
|
4.9
|
1.0
|
1.0
|
|
Potassium binding site 3 out
of 4 in 5but
Go back to
Potassium Binding Sites List in 5but
Potassium binding site 3 out
of 4 in the Crystal Structure of Inactive Conformation of Ktrab K+ Transporter
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Crystal Structure of Inactive Conformation of Ktrab K+ Transporter within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:K501
b:1.0
occ:1.00
|
C
|
K:THR278
|
2.9
|
1.0
|
1.0
|
O
|
K:THR278
|
2.9
|
1.0
|
1.0
|
O
|
K:THR390
|
3.0
|
1.0
|
1.0
|
N
|
K:ALA279
|
3.3
|
1.0
|
1.0
|
C
|
K:ALA279
|
3.3
|
1.0
|
1.0
|
O
|
K:ASN175
|
3.4
|
1.0
|
1.0
|
O
|
K:VAL391
|
3.4
|
1.0
|
1.0
|
O
|
K:ALA279
|
3.5
|
1.0
|
1.0
|
CA
|
K:THR278
|
3.5
|
1.0
|
1.0
|
C
|
K:VAL391
|
3.5
|
1.0
|
1.0
|
O
|
K:THR61
|
3.6
|
1.0
|
1.0
|
C
|
K:ASN175
|
3.6
|
1.0
|
1.0
|
CA
|
K:ALA279
|
3.7
|
1.0
|
1.0
|
N
|
K:GLY280
|
3.7
|
1.0
|
1.0
|
O
|
K:ALA176
|
3.7
|
1.0
|
1.0
|
C
|
K:ALA176
|
3.8
|
1.0
|
1.0
|
O
|
K:VAL60
|
3.8
|
1.0
|
1.0
|
C
|
K:THR390
|
3.8
|
1.0
|
1.0
|
N
|
K:ALA176
|
3.8
|
1.0
|
1.0
|
CA
|
K:VAL391
|
3.9
|
1.0
|
1.0
|
CB
|
K:THR278
|
3.9
|
1.0
|
1.0
|
CA
|
K:ALA176
|
4.0
|
1.0
|
1.0
|
N
|
K:GLY392
|
4.1
|
1.0
|
1.0
|
C
|
K:THR61
|
4.1
|
1.0
|
1.0
|
CA
|
K:GLY280
|
4.2
|
1.0
|
1.0
|
N
|
K:VAL391
|
4.2
|
1.0
|
1.0
|
N
|
K:GLY177
|
4.3
|
1.0
|
1.0
|
CA
|
K:ASN175
|
4.3
|
1.0
|
1.0
|
OG1
|
K:THR278
|
4.4
|
1.0
|
1.0
|
CB
|
K:ASN175
|
4.4
|
1.0
|
1.0
|
CA
|
K:GLY392
|
4.5
|
1.0
|
1.0
|
C
|
K:VAL60
|
4.6
|
1.0
|
1.0
|
CA
|
K:THR61
|
4.6
|
1.0
|
1.0
|
OG1
|
K:THR390
|
4.8
|
1.0
|
1.0
|
N
|
K:THR278
|
4.8
|
1.0
|
1.0
|
CA
|
K:GLY177
|
4.9
|
1.0
|
1.0
|
N
|
K:GLY62
|
4.9
|
1.0
|
1.0
|
N
|
K:THR61
|
5.0
|
1.0
|
1.0
|
CA
|
K:THR390
|
5.0
|
1.0
|
1.0
|
CB
|
K:THR390
|
5.0
|
1.0
|
1.0
|
|
Potassium binding site 4 out
of 4 in 5but
Go back to
Potassium Binding Sites List in 5but
Potassium binding site 4 out
of 4 in the Crystal Structure of Inactive Conformation of Ktrab K+ Transporter
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Crystal Structure of Inactive Conformation of Ktrab K+ Transporter within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:K501
b:1.0
occ:1.00
|
O
|
L:VAL60
|
2.9
|
1.0
|
1.0
|
O
|
L:THR390
|
3.0
|
1.0
|
1.0
|
O
|
L:ASN175
|
3.1
|
1.0
|
1.0
|
O
|
L:THR61
|
3.1
|
1.0
|
1.0
|
O
|
L:ALA176
|
3.2
|
1.0
|
1.0
|
C
|
L:THR61
|
3.3
|
1.0
|
1.0
|
C
|
L:ALA176
|
3.4
|
1.0
|
1.0
|
O
|
L:THR278
|
3.5
|
1.0
|
1.0
|
C
|
L:VAL60
|
3.5
|
1.0
|
1.0
|
C
|
L:ASN175
|
3.6
|
1.0
|
1.0
|
CA
|
L:ALA176
|
3.6
|
1.0
|
1.0
|
C
|
L:THR390
|
3.6
|
1.0
|
1.0
|
CA
|
L:THR61
|
3.6
|
1.0
|
1.0
|
C
|
L:THR278
|
3.8
|
1.0
|
1.0
|
N
|
L:ALA176
|
3.8
|
1.0
|
1.0
|
N
|
L:THR61
|
3.8
|
1.0
|
1.0
|
C
|
L:VAL391
|
3.9
|
1.0
|
1.0
|
O
|
L:VAL391
|
4.0
|
1.0
|
1.0
|
O
|
L:ALA279
|
4.0
|
1.0
|
1.0
|
N
|
L:GLY62
|
4.1
|
1.0
|
1.0
|
N
|
L:VAL391
|
4.1
|
1.0
|
1.0
|
C
|
L:ALA279
|
4.2
|
1.0
|
1.0
|
N
|
L:GLY392
|
4.2
|
1.0
|
1.0
|
CA
|
L:VAL391
|
4.2
|
1.0
|
1.0
|
CA
|
L:THR278
|
4.3
|
1.0
|
1.0
|
OG1
|
L:THR390
|
4.3
|
1.0
|
1.0
|
CB
|
L:THR390
|
4.3
|
1.0
|
1.0
|
N
|
L:GLY177
|
4.3
|
1.0
|
1.0
|
N
|
L:ALA279
|
4.3
|
1.0
|
1.0
|
CB
|
L:THR278
|
4.4
|
1.0
|
1.0
|
CA
|
L:THR390
|
4.4
|
1.0
|
1.0
|
N
|
L:GLY280
|
4.5
|
1.0
|
1.0
|
CA
|
L:GLY392
|
4.6
|
1.0
|
1.0
|
CA
|
L:GLY62
|
4.6
|
1.0
|
1.0
|
CA
|
L:ALA279
|
4.6
|
1.0
|
1.0
|
CA
|
L:ASN175
|
4.6
|
1.0
|
1.0
|
CA
|
L:VAL60
|
4.7
|
1.0
|
1.0
|
CB
|
L:ASN175
|
4.7
|
1.0
|
1.0
|
CA
|
L:GLY280
|
4.8
|
1.0
|
1.0
|
OG1
|
L:THR278
|
4.8
|
1.0
|
1.0
|
CA
|
L:GLY177
|
4.9
|
1.0
|
1.0
|
CB
|
L:VAL60
|
4.9
|
1.0
|
1.0
|
CG1
|
L:VAL60
|
4.9
|
1.0
|
1.0
|
|
Reference:
A.Szollosi,
R.S.Vieira-Pires,
C.M.Teixeira-Duarte,
R.Rocha,
J.H.Morais-Cabral.
Dissecting the Molecular Mechanism of Nucleotide-Dependent Activation of the Ktrab K+ Transporter. Plos Biol. V. 14 02356 2016.
ISSN: ESSN 1545-7885
PubMed: 26771197
DOI: 10.1371/JOURNAL.PBIO.1002356
Page generated: Mon Aug 12 13:04:06 2024
|