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Zinc in PDB 2cfz: Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Dodecanol

Protein crystallography data

The structure of Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Dodecanol, PDB code: 2cfz was solved by G.Hagelueken, T.M.Adams, L.Wiehlmann, U.Widow, H.Kolmar, B.Tuemmler, D.W.Heinz, W.-D.Schubert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.74 / 2.05
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 86.323, 86.323, 367.594, 90.00, 90.00, 120.00
R / Rfree (%) 16 / 21

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Dodecanol (pdb code 2cfz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Dodecanol, PDB code: 2cfz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2cfz

Go back to Zinc Binding Sites List in 2cfz
Zinc binding site 1 out of 2 in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Dodecanol


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 SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Dodecanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1001

b:13.1
occ:1.00
NE2 A:HIS174 2.0 22.1 1.0
OE2 A:GLU299 2.1 21.8 1.0
O A:HOH3001 2.1 15.7 1.0
NE2 A:HIS344 2.1 21.2 1.0
OD2 A:ASP173 2.1 25.7 1.0
CD A:GLU299 2.9 24.8 1.0
CD2 A:HIS174 3.0 23.4 1.0
CG A:ASP173 3.0 26.0 1.0
OE1 A:GLU299 3.0 25.5 1.0
CE1 A:HIS174 3.0 22.9 1.0
CD2 A:HIS344 3.1 16.7 1.0
CE1 A:HIS344 3.1 17.5 1.0
OD1 A:ASP173 3.3 23.0 1.0
ZN A:ZN1002 3.3 17.0 1.0
O A:HOH2329 3.5 36.5 1.0
NE2 A:HIS169 4.1 24.0 1.0
CE1 A:HIS169 4.1 22.1 1.0
CG A:HIS174 4.1 23.7 1.0
ND1 A:HIS174 4.1 24.3 1.0
ND1 A:HIS344 4.2 16.4 1.0
CG A:HIS344 4.3 19.8 1.0
CG A:GLU299 4.3 23.5 1.0
CB A:ASP173 4.4 24.4 1.0
OE2 A:GLU280 4.4 25.0 1.0
CD1 A:ILE239 4.4 21.5 1.0
CB A:ALA123 4.7 16.9 1.0
CG2 A:VAL343 4.7 19.9 1.0
CB A:GLU299 4.9 25.0 1.0

Zinc binding site 2 out of 2 in 2cfz

Go back to Zinc Binding Sites List in 2cfz
Zinc binding site 2 out of 2 in the Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Dodecanol


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 SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, in Complex with 1-Dodecanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1002

b:17.0
occ:1.00
O A:HOH3001 2.0 15.7 1.0
OE2 A:GLU280 2.0 25.0 1.0
NE2 A:HIS169 2.1 24.0 1.0
ND1 A:HIS171 2.1 20.7 1.0
OE2 A:GLU299 2.8 21.8 1.0
CD A:GLU280 2.8 27.6 1.0
OE1 A:GLU280 3.0 24.0 1.0
CD2 A:HIS169 3.0 22.5 1.0
CE1 A:HIS171 3.1 26.9 1.0
CE1 A:HIS169 3.1 22.1 1.0
CG A:HIS171 3.1 22.3 1.0
CD A:GLU299 3.3 24.8 1.0
ZN A:ZN1001 3.3 13.1 1.0
CB A:HIS171 3.5 17.2 1.0
OE1 A:GLU299 3.6 25.5 1.0
O A:HOH2329 3.6 36.5 1.0
O A:HOH2317 3.7 27.1 1.0
NE2 A:HIS174 3.9 22.1 1.0
CD2 A:HIS174 4.0 23.4 1.0
CG A:HIS169 4.2 24.8 1.0
ND1 A:HIS169 4.2 18.8 1.0
NE2 A:HIS171 4.2 27.4 1.0
CD2 A:HIS171 4.2 27.9 1.0
CG A:GLU299 4.3 23.5 1.0
OD1 A:ASP173 4.3 23.0 1.0
CB A:GLU299 4.3 25.0 1.0
CG A:GLU280 4.3 19.8 1.0
O2S A:1DO1655 4.4 31.9 0.5
OD2 A:ASP173 4.7 25.7 1.0
C1 A:1DO1655 4.8 39.2 0.5
CA A:HIS171 4.9 21.4 1.0
CG A:ASP173 4.9 26.0 1.0

Reference:

G.Hagelueken, T.M.Adams, L.Wiehlmann, U.Widow, H.Kolmar, B.Tummler, D.W.Heinz, W.-D.Schubert. The Crystal Structure of SDSA1, An Alkylsulfatase From Pseudomonas Aeruginosa, Defines A Third Class of Sulfatases. Proc.Natl.Acad.Sci.Usa V. 103 7631 2006.
ISSN: ISSN 0027-8424
PubMed: 16684886
DOI: 10.1073/PNAS.0510501103
Page generated: Wed Dec 16 03:19:14 2020

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