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Zinc in PDB 2pu1: Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah)

Enzymatic activity of Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah)

All present enzymatic activity of Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah):
4.2.1.11;

Protein crystallography data

The structure of Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah), PDB code: 2pu1 was solved by M.V.A.S.Navarro, D.J.Rigden, R.C.Garratt, S.M.G.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.04 / 1.80
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 74.809, 110.644, 109.006, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 20.6

Other elements in 2pu1:

The structure of Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah) also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah) (pdb code 2pu1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah), PDB code: 2pu1:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 2pu1

Go back to Zinc Binding Sites List in 2pu1
Zinc binding site 1 out of 3 in the Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn500

b:21.2
occ:1.00
 OE2 A:GLU291 2.0 17.5 1.0
OD2 A:ASP318 2.1 16.8 1.0
O A:HOH759 2.1 19.5 1.0
O3 A:FSG600 2.1 19.3 0.5
OD2 A:ASP243 2.1 16.5 1.0
O3 A:FSG600 2.2 16.1 0.5
O2 A:FSG600 2.5 15.6 0.5
O2 A:FSG600 2.5 17.7 0.5
N3 A:FSG600 2.9 16.6 0.5
C2 A:FSG600 3.0 16.6 0.5
N3 A:FSG600 3.0 16.2 0.5
CG A:ASP243 3.0 19.6 1.0
C2 A:FSG600 3.1 17.5 0.5
CG A:ASP318 3.1 17.4 1.0
CD A:GLU291 3.1 19.7 1.0
OD1 A:ASP243 3.3 16.9 1.0
CB A:ASP318 3.7 18.1 1.0
NZ A:LYS394 3.7 17.2 1.0
OE1 A:GLU291 3.8 20.9 1.0
NZ A:LYS343 3.8 15.4 1.0
O A:HOH727 3.9 18.8 1.0
O A:HOH817 3.9 19.5 1.0
OE1 A:GLN164 4.0 23.9 1.0
OD2 A:ASP292 4.1 20.6 1.0
CD2 A:LEU341 4.1 17.4 1.0
OD1 A:ASP318 4.1 20.9 1.0
ZN A:ZN501 4.2 21.9 1.0
CG A:GLU291 4.2 18.1 1.0
CB A:ASP243 4.4 21.1 1.0
C1 A:FSG600 4.5 15.6 0.5
C1 A:FSG600 4.6 17.9 0.5
OE2 A:GLU165 4.7 21.3 1.0
F A:FSG600 4.9 20.7 0.5
CE A:LYS394 4.9 18.4 1.0
CG A:ASP292 4.9 21.6 1.0
CE A:LYS343 4.9 13.3 1.0

Zinc binding site 2 out of 3 in 2pu1

Go back to Zinc Binding Sites List in 2pu1
Zinc binding site 2 out of 3 in the Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:21.9
occ:1.00
 O A:SER40 2.1 20.2 1.0
O A:HOH817 2.1 19.5 1.0
O2P A:FSG600 2.1 18.2 0.5
O2P A:FSG600 2.1 18.3 0.5
O A:HOH727 2.1 18.8 1.0
O2 A:FSG600 2.2 15.6 0.5
OG A:SER40 2.3 17.5 1.0
O2 A:FSG600 2.3 17.7 0.5
C2 A:FSG600 2.9 16.6 0.5
C A:SER40 3.0 20.4 1.0
CB A:SER40 3.1 20.6 1.0
C2 A:FSG600 3.1 17.5 0.5
P A:FSG600 3.2 16.1 0.5
P A:FSG600 3.3 17.9 0.5
C1 A:FSG600 3.3 15.6 0.5
CA A:SER40 3.5 20.4 1.0
F A:FSG600 3.5 20.7 0.5
C1 A:FSG600 3.5 17.9 0.5
O3P A:FSG600 3.9 18.5 0.5
OD2 A:ASP319 3.9 21.7 1.0
OD2 A:ASP318 3.9 16.8 1.0
O3P A:FSG600 4.0 19.1 0.5
N A:SER40 4.0 20.1 1.0
OD1 A:ASP319 4.0 22.9 1.0
O A:HOH759 4.1 19.5 1.0
N3 A:FSG600 4.1 16.6 0.5
NZ A:LYS343 4.1 15.4 1.0
ZN A:ZN500 4.2 21.2 1.0
N A:THR41 4.2 21.3 1.0
NH2 A:ARG372 4.2 13.7 1.0
N3 A:FSG600 4.2 16.2 0.5
NE2 A:GLN164 4.4 21.0 1.0
CG A:ASP319 4.4 19.9 1.0
O1P A:FSG600 4.4 15.4 0.5
O1P A:FSG600 4.4 19.1 0.5
OE1 A:GLN164 4.5 23.9 1.0
CA A:THR41 4.6 20.9 1.0
F A:FSG600 4.6 15.3 0.5
O3 A:FSG600 4.6 19.3 0.5
O3 A:FSG600 4.7 16.1 0.5
CD A:GLN164 4.9 24.8 1.0
CG A:ASP318 4.9 17.4 1.0

Zinc binding site 3 out of 3 in 2pu1

Go back to Zinc Binding Sites List in 2pu1
Zinc binding site 3 out of 3 in the Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the T. Brucei Enolase Complexed with Fluoro-Phosphonoacetohydroxamate (Fpah) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn550

b:33.5
occ:0.50
 OE2 A:GLU27 2.0 30.7 1.0
ND1 A:HIS0 2.3 55.0 1.0
O A:HOH1042 2.7 45.1 1.0
CD A:GLU27 2.7 33.6 1.0
OE1 A:GLU27 2.9 35.0 1.0
CE1 A:HIS0 3.0 56.3 1.0
CG A:HIS0 3.5 52.5 1.0
CB A:HIS0 4.0 49.3 1.0
NE2 A:HIS0 4.2 56.0 1.0
CG A:GLU27 4.2 30.4 1.0
CD2 A:HIS0 4.4 55.7 1.0
O A:HIS0 4.4 44.3 1.0
CG A:MET1 4.7 44.3 1.0
CB A:GLU27 4.7 29.1 1.0
C A:HIS0 4.7 45.3 1.0

Reference:

M.V.Navarro, S.M.Gomes Dias, L.V.Mello, M.T.Da Silva Giotto, S.Gavalda, C.Blonski, R.C.Garratt, D.J.Rigden. Structural Flexibility in Trypanosoma Brucei Enolase Revealed By X-Ray Crystallography and Molecular Dynamics. Febs J. V. 274 5077 2007.
ISSN: ISSN 1742-464X
PubMed: 17822439
DOI: 10.1111/J.1742-4658.2007.06027.X
Page generated: Thu Oct 17 03:13:26 2024

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