Atomistry » Magnesium » PDB 6ufg-6uok » 6uk1
Atomistry »
  Magnesium »
    PDB 6ufg-6uok »
      6uk1 »

Magnesium in PDB 6uk1: Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr)

Enzymatic activity of Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr)

All present enzymatic activity of Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr):
5.6.1.6;

Protein crystallography data

The structure of Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr), PDB code: 6uk1 was solved by C.Wang, S.M.Vorobiev, R.M.Vernon, N.Khazanov, H.Senderowitz, J.D.Forman-Kay, J.F.Hunt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.41 / 2.69
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 95.063, 60.132, 105.160, 90.00, 99.57, 90.00
R / Rfree (%) 27.3 / 30.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) (pdb code 6uk1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr), PDB code: 6uk1:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 6uk1

Go back to Magnesium Binding Sites List in 6uk1
Magnesium binding site 1 out of 4 in the Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1502

b:20.9
occ:1.00
 O1G A:ATP1501 2.0 19.8 1.0
O A:HOH1601 2.1 22.3 1.0
O D:HOH1612 2.1 22.3 1.0
O A:HOH1605 2.1 19.4 1.0
OG A:SER1251 2.1 22.2 1.0
O1B A:ATP1501 2.4 17.0 1.0
O3G D:ATP1501 2.8 43.6 1.0
CB A:SER1251 3.2 15.6 1.0
PG A:ATP1501 3.3 28.1 1.0
PB A:ATP1501 3.7 25.3 1.0
O3G A:ATP1501 3.7 34.8 1.0
O3B A:ATP1501 3.9 32.4 1.0
O2A A:ATP1501 4.0 25.0 1.0
PG D:ATP1501 4.1 32.6 1.0
OE1 A:GLU1371 4.2 28.7 1.0
OD2 A:ASP1370 4.2 35.2 1.0
O1G D:ATP1501 4.2 38.4 1.0
CA A:SER1251 4.4 19.5 1.0
N A:SER1251 4.4 15.6 1.0
OD1 A:ASP1370 4.4 29.4 1.0
O2G A:ATP1501 4.5 43.8 1.0
O2B A:ATP1501 4.6 5.0 1.0
O2G D:ATP1501 4.7 15.7 1.0
CG A:ASP1370 4.7 25.2 1.0
O3A A:ATP1501 4.7 20.4 1.0
PA A:ATP1501 4.8 33.0 1.0
O A:HOH1610 4.8 20.1 1.0
O1A A:ATP1501 4.9 41.2 1.0
OG1 D:THR1246 5.0 39.5 1.0

Magnesium binding site 2 out of 4 in 6uk1

Go back to Magnesium Binding Sites List in 6uk1
Magnesium binding site 2 out of 4 in the Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1502

b:69.7
occ:1.00
 O B:HOH1601 2.1 48.7 1.0
OG B:SER1251 2.1 79.0 1.0
O C:HOH1605 2.1 38.8 1.0
OD1 B:ASP1370 2.2 82.3 1.0
OE2 B:GLU1371 2.3 74.5 1.0
OD2 B:ASP1370 2.3 72.5 1.0
CG B:ASP1370 2.6 69.2 1.0
O1G B:ATP1501 2.8 49.9 1.0
O1B B:ATP1501 2.9 37.3 1.0
CB B:SER1251 3.5 48.9 1.0
CD B:GLU1371 3.5 62.0 1.0
N B:SER1251 4.0 49.0 1.0
O B:HOH1603 4.0 37.4 1.0
CB B:ASP1370 4.1 59.4 1.0
CA B:SER1251 4.1 49.0 1.0
CG B:GLU1371 4.2 58.2 1.0
O1G C:ATP1501 4.2 61.0 1.0
PG B:ATP1501 4.2 30.3 1.0
PB B:ATP1501 4.3 33.8 1.0
O C:HOH1609 4.4 25.6 1.0
OE1 B:GLU1371 4.4 57.8 1.0
CE1 B:HIS1375 4.5 57.8 1.0
O B:HOH1608 4.7 26.5 1.0
ND1 B:HIS1375 4.8 58.0 1.0
CB B:LYS1250 4.8 48.8 1.0
O3B B:ATP1501 4.8 33.6 1.0
O2G B:ATP1501 4.9 44.1 1.0
CE B:LYS1250 4.9 48.3 1.0
O2B B:ATP1501 4.9 31.8 1.0
CA B:ASP1370 4.9 59.3 1.0
C B:LYS1250 4.9 49.1 1.0
C B:ASP1370 5.0 58.9 1.0
CB B:GLU1371 5.0 58.1 1.0

Magnesium binding site 3 out of 4 in 6uk1

Go back to Magnesium Binding Sites List in 6uk1
Magnesium binding site 3 out of 4 in the Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1502

b:42.2
occ:1.00
 O C:HOH1608 2.1 30.6 1.0
O C:HOH1601 2.1 25.4 1.0
OG C:SER1251 2.2 63.1 1.0
O2G C:ATP1501 2.2 77.7 1.0
O1B C:ATP1501 2.4 30.3 1.0
O3B C:ATP1501 2.5 63.8 1.0
PG C:ATP1501 2.9 54.5 1.0
O1A C:ATP1501 2.9 12.8 1.0
PB C:ATP1501 3.0 41.0 1.0
O3G B:ATP1501 3.0 24.6 1.0
CB C:SER1251 3.1 63.3 1.0
O1G C:ATP1501 3.8 61.0 1.0
O3A C:ATP1501 3.9 50.3 1.0
PA C:ATP1501 3.9 43.0 1.0
O3G C:ATP1501 4.1 47.2 1.0
O2B C:ATP1501 4.2 27.8 1.0
N C:SER1251 4.3 63.3 1.0
CA C:SER1251 4.3 63.4 1.0
PG B:ATP1501 4.4 30.3 1.0
O2A C:ATP1501 4.5 32.1 1.0
OD2 C:ASP1370 4.7 48.1 1.0
O C:HOH1609 4.7 25.6 1.0
O2G B:ATP1501 4.7 44.1 1.0
O B:HOH1603 4.8 37.4 1.0
OE1 C:GLU1371 4.9 47.1 1.0

Magnesium binding site 4 out of 4 in 6uk1

Go back to Magnesium Binding Sites List in 6uk1
Magnesium binding site 4 out of 4 in the Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Nucleotide-Binding Domain 2 (NBD2) of the Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1502

b:13.3
occ:1.00
 O1B D:ATP1501 2.1 17.3 1.0
O2G D:ATP1501 2.1 15.7 1.0
O D:HOH1602 2.1 9.9 1.0
O D:HOH1610 2.1 15.1 1.0
OG D:SER1251 2.2 17.8 1.0
O1A D:ATP1501 3.0 22.7 1.0
O3G A:ATP1501 3.0 34.8 1.0
CB D:SER1251 3.1 17.6 1.0
PG D:ATP1501 3.2 32.6 1.0
PB D:ATP1501 3.3 29.6 1.0
O3B D:ATP1501 3.5 26.6 1.0
O3G D:ATP1501 3.8 43.6 1.0
PA D:ATP1501 4.0 30.3 1.0
O3A D:ATP1501 4.2 16.5 1.0
N D:SER1251 4.2 25.1 1.0
CA D:SER1251 4.3 27.8 1.0
PG A:ATP1501 4.3 28.1 1.0
O2B D:ATP1501 4.4 8.3 1.0
O2G A:ATP1501 4.4 43.8 1.0
O2A D:ATP1501 4.5 54.4 1.0
O1G D:ATP1501 4.5 38.4 1.0
OD2 D:ASP1370 4.6 34.9 1.0
OE1 D:GLU1371 4.7 35.4 1.0
OD1 D:ASP1370 4.9 30.0 1.0

Reference:

C.Wang, S.Vorobiev, R.M.Vernon, N.Khazanov, H.Senderowitz, J.D.Forman-Kay, J.F.Hunt. A Thermodynamically Stabilized Form of the Second Nucleotide Binding Domain From Human Cftr Shows A Catalytically Inactive Conformation To Be Published.
Page generated: Tue Oct 1 21:06:19 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy