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Fluorine in PDB 4umw: Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State

Enzymatic activity of Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State

All present enzymatic activity of Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State:
3.6.3.5;

Protein crystallography data

The structure of Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State, PDB code: 4umw was solved by K.T.Wang, O.Sitsel, G.Meloni, H.E.Autzen, M.Andersson, T.Klymchuk, A.M.Nielsen, D.C.Rees, P.Nissen, P.Gourdon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.347 / 2.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 77.641, 83.560, 319.818, 90.00, 90.00, 90.00
R / Rfree (%) 22.43 / 24.06

Other elements in 4umw:

The structure of Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Aluminium (Al) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State (pdb code 4umw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State, PDB code: 4umw:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4umw

Go back to Fluorine Binding Sites List in 4umw
Fluorine binding site 1 out of 4 in the Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1731

b:56.2
occ:1.00
 F1 A:ALF1731 0.0 56.2 1.0
AL A:ALF1731 1.8 47.0 1.0
F3 A:ALF1731 2.5 42.1 1.0
MG A:MG1732 2.5 45.0 1.0
OD1 A:ASP436 2.5 50.4 1.0
F2 A:ALF1731 2.5 41.0 1.0
ND2 A:ASN631 2.8 42.3 1.0
OD2 A:ASP436 3.2 48.5 1.0
CG A:ASP436 3.2 47.8 1.0
CA A:GLY289 3.4 51.3 1.0
NZ A:LYS610 3.5 46.0 1.0
F4 A:ALF1731 3.6 46.6 1.0
O A:THR288 3.6 59.4 1.0
CG A:ASN631 3.7 41.7 1.0
OD1 A:ASN631 3.7 41.4 1.0
OD1 A:ASP632 3.8 45.5 1.0
O A:HOH2022 4.0 41.6 1.0
N A:GLY289 4.1 50.4 1.0
C A:THR288 4.1 50.8 1.0
OD2 A:ASP632 4.1 42.9 1.0
CG A:ASP632 4.3 44.6 1.0
C A:GLY289 4.3 54.3 1.0
OD1 A:ASP628 4.6 47.8 1.0
O A:GLY289 4.6 57.7 1.0
CB A:ASP436 4.6 44.2 1.0
CE A:LYS610 4.7 46.5 1.0
O A:THR438 4.9 45.3 1.0

Fluorine binding site 2 out of 4 in 4umw

Go back to Fluorine Binding Sites List in 4umw
Fluorine binding site 2 out of 4 in the Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1731

b:41.0
occ:1.00
 F2 A:ALF1731 0.0 41.0 1.0
AL A:ALF1731 1.8 47.0 1.0
F4 A:ALF1731 2.5 46.6 1.0
F1 A:ALF1731 2.5 56.2 1.0
OD1 A:ASP436 2.7 50.4 1.0
N A:GLY584 2.7 49.5 1.0
NZ A:LYS610 3.1 46.0 1.0
OG1 A:THR583 3.2 51.7 1.0
CA A:THR583 3.2 52.4 1.0
C A:THR583 3.4 52.2 1.0
F3 A:ALF1731 3.6 42.1 1.0
O A:THR288 3.6 59.4 1.0
CE A:LYS610 3.7 46.5 1.0
CB A:THR583 3.7 51.5 1.0
CG A:ASP436 3.8 47.8 1.0
CA A:GLY584 3.8 52.7 1.0
ND2 A:ASN631 4.0 42.3 1.0
O A:LEU582 4.0 51.0 1.0
OD2 A:ASP436 4.2 48.5 1.0
N A:THR583 4.4 53.8 1.0
N A:ASP585 4.5 53.1 1.0
MG A:MG1732 4.6 45.0 1.0
C A:THR288 4.6 50.8 1.0
C A:LEU582 4.6 52.4 1.0
N A:LYS437 4.6 48.2 1.0
C A:GLY584 4.6 53.5 1.0
O A:THR583 4.6 55.1 1.0
OD1 A:ASP632 4.9 45.5 1.0
CB A:ASP436 4.9 44.2 1.0
CA A:GLY289 5.0 51.3 1.0

Fluorine binding site 3 out of 4 in 4umw

Go back to Fluorine Binding Sites List in 4umw
Fluorine binding site 3 out of 4 in the Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1731

b:42.1
occ:1.00
 F3 A:ALF1731 0.0 42.1 1.0
AL A:ALF1731 1.8 47.0 1.0
MG A:MG1732 2.0 45.0 1.0
OD2 A:ASP436 2.2 48.5 1.0
F1 A:ALF1731 2.5 56.2 1.0
F4 A:ALF1731 2.6 46.6 1.0
O A:THR438 2.6 45.3 1.0
O A:HOH2022 2.7 41.6 1.0
CG A:ASP436 3.0 47.8 1.0
OD1 A:ASP436 3.1 50.4 1.0
CB A:THR438 3.2 46.4 1.0
N A:THR438 3.3 44.3 1.0
C A:THR438 3.4 44.6 1.0
CA A:THR438 3.4 44.8 1.0
F2 A:ALF1731 3.6 41.0 1.0
OD1 A:ASP628 3.6 47.8 1.0
O A:GLY289 3.9 57.7 1.0
OG1 A:THR438 4.1 44.3 1.0
CA A:GLY289 4.1 51.3 1.0
C A:LYS437 4.2 44.9 1.0
C A:GLY289 4.3 54.3 1.0
CG2 A:THR438 4.3 44.6 1.0
N A:LYS437 4.4 48.2 1.0
CB A:ASP436 4.4 44.2 1.0
CG A:ASP628 4.6 48.5 1.0
N A:GLY439 4.7 45.6 1.0
OE2 A:GLU290 4.7 62.6 1.0
O A:THR288 4.8 59.4 1.0
OD2 A:ASP628 4.8 49.6 1.0
CA A:LYS437 4.8 45.1 1.0

Fluorine binding site 4 out of 4 in 4umw

Go back to Fluorine Binding Sites List in 4umw
Fluorine binding site 4 out of 4 in the Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of A Zinc-Transporting Pib-Type Atpase in E2.Pi State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1731

b:46.6
occ:1.00
 F4 A:ALF1731 0.0 46.6 1.0
AL A:ALF1731 1.8 47.0 1.0
F2 A:ALF1731 2.5 41.0 1.0
F3 A:ALF1731 2.6 42.1 1.0
OG1 A:THR583 2.7 51.7 1.0
N A:THR438 2.8 44.3 1.0
N A:LYS437 3.2 48.2 1.0
OD1 A:ASP436 3.3 50.4 1.0
CB A:LYS437 3.4 45.8 1.0
OG1 A:THR438 3.5 44.3 1.0
F1 A:ALF1731 3.6 56.2 1.0
CB A:THR438 3.6 46.4 1.0
CA A:LYS437 3.6 45.1 1.0
OD2 A:ASP436 3.6 48.5 1.0
CG A:ASP436 3.6 47.8 1.0
CB A:THR583 3.6 51.5 1.0
C A:LYS437 3.6 44.9 1.0
CA A:THR438 3.7 44.8 1.0
OE2 A:GLU290 3.8 62.6 1.0
CA A:THR583 4.1 52.4 1.0
N A:GLY584 4.3 49.5 1.0
O A:THR438 4.3 45.3 1.0
MG A:MG1732 4.4 45.0 1.0
C A:ASP436 4.4 46.3 1.0
CE A:LYS437 4.4 48.5 1.0
C A:THR438 4.5 44.6 1.0
CG A:LYS437 4.6 44.9 1.0
NZ A:LYS437 4.7 49.9 1.0
O A:THR288 4.7 59.4 1.0
CA A:ASP436 4.8 43.5 1.0
CB A:ASP436 4.8 44.2 1.0
C A:THR583 4.8 52.2 1.0
O A:LYS437 4.8 45.9 1.0
CD A:GLU290 4.9 59.9 1.0
N A:ASP585 4.9 53.1 1.0
CG2 A:THR583 4.9 51.5 1.0
CB A:ASP585 5.0 54.2 1.0

Reference:

K.Wang, O.Sitsel, G.Meloni, H.E.Autzen, M.Andersson, T.Klymchuk, A.M.Nielsen, D.C.Rees, P.Nissen, P.Gourdon. Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases. Nature V. 514 518 2014.
ISSN: ESSN 0028-0836
PubMed: 25132545
DOI: 10.1038/NATURE13618
Page generated: Tue Jul 15 01:04:17 2025

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