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Zinc in PDB 3e3g: H. Influenzae Beta-Carbonic Anhydrase, Variant G41A

Enzymatic activity of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A

All present enzymatic activity of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A:
4.2.1.1;

Protein crystallography data

The structure of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A, PDB code: 3e3g was solved by R.S.Rowlett, H.Failing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.41 / 2.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 231.925, 145.231, 52.972, 90.00, 93.82, 90.00
R / Rfree (%) 19.7 / 23.4

Zinc Binding Sites:

The binding sites of Zinc atom in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A (pdb code 3e3g). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A, PDB code: 3e3g:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 3e3g

Go back to Zinc Binding Sites List in 3e3g
Zinc binding site 1 out of 6 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn230

b:38.3
occ:1.00
 OD2 A:ASP44 2.0 40.3 1.0
NE2 A:HIS98 2.1 38.8 1.0
SG A:CYS101 2.3 39.6 1.0
SG A:CYS42 2.4 40.0 1.0
CG A:ASP44 2.8 42.4 1.0
CE1 A:HIS98 2.9 39.8 1.0
OD1 A:ASP44 3.2 43.3 1.0
CD2 A:HIS98 3.2 40.3 1.0
CB A:CYS42 3.3 37.9 1.0
CB A:CYS101 3.4 39.0 1.0
CA A:CYS101 3.6 39.4 1.0
ND1 A:HIS98 4.0 40.2 1.0
N A:GLY102 4.0 38.9 1.0
C A:CYS101 4.1 39.1 1.0
CB A:ASP44 4.1 41.4 1.0
O A:HOH235 4.2 29.7 1.0
CG A:HIS98 4.2 41.1 1.0
C A:ASP44 4.3 42.7 1.0
N A:ASP44 4.3 40.5 1.0
N A:SER45 4.3 43.9 1.0
N A:GLY103 4.4 38.4 1.0
CA A:ASP44 4.4 42.0 1.0
CA A:CYS42 4.7 38.5 1.0
O A:ASP44 4.7 43.8 1.0
N A:ALA67 4.9 37.5 1.0
C A:CYS42 4.9 38.4 1.0
N A:CYS101 4.9 40.2 1.0
CA A:SER45 5.0 44.7 1.0
CA A:ALA67 5.0 36.9 1.0

Zinc binding site 2 out of 6 in 3e3g

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Zinc binding site 2 out of 6 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn230

b:42.0
occ:1.00
 NE2 B:HIS98 2.1 40.4 1.0
SG B:CYS101 2.3 40.7 1.0
SG B:CYS42 2.3 42.9 1.0
OD2 B:ASP44 2.6 47.3 1.0
CB B:ASP44 2.9 49.1 1.0
CE1 B:HIS98 3.0 38.4 1.0
CG B:ASP44 3.1 49.1 1.0
CD2 B:HIS98 3.1 38.4 1.0
CB B:CYS42 3.2 42.3 1.0
CB B:CYS101 3.4 42.7 1.0
CA B:CYS101 3.6 42.6 1.0
N B:GLY102 4.1 42.5 1.0
ND1 B:HIS98 4.1 39.3 1.0
CA B:ASP44 4.1 49.0 1.0
C B:CYS101 4.1 42.5 1.0
O B:HOH234 4.2 34.2 1.0
CG B:HIS98 4.2 39.0 1.0
N B:ASP44 4.2 47.4 1.0
N B:SER45 4.3 51.8 1.0
OD1 B:ASP44 4.4 55.5 1.0
N B:GLY103 4.4 42.1 1.0
C B:ASP44 4.5 50.3 1.0
CA B:CYS42 4.6 42.7 1.0
C B:CYS42 4.9 43.0 1.0
N B:CYS101 4.9 42.8 1.0
N B:ALA67 4.9 40.0 1.0
CA B:ALA67 5.0 40.4 1.0

Zinc binding site 3 out of 6 in 3e3g

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Zinc binding site 3 out of 6 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn230

b:46.6
occ:1.00
 OD2 C:ASP44 2.0 55.5 1.0
NE2 C:HIS98 2.1 47.8 1.0
SG C:CYS101 2.3 44.8 1.0
SG C:CYS42 2.3 46.9 1.0
CE1 C:HIS98 2.8 48.1 1.0
CG C:ASP44 2.9 54.9 1.0
CB C:CYS42 3.2 47.1 1.0
CD2 C:HIS98 3.2 48.5 1.0
CB C:ASP44 3.2 56.2 1.0
CB C:CYS101 3.3 46.8 1.0
CA C:CYS101 3.7 47.1 1.0
ND1 C:HIS98 3.9 46.6 1.0
OD1 C:ASP44 4.0 56.5 1.0
O C:HOH236 4.1 38.1 1.0
CG C:HIS98 4.1 46.7 1.0
N C:GLY102 4.1 47.5 1.0
C C:CYS101 4.3 47.4 1.0
N C:ASP44 4.3 54.6 1.0
CA C:ASP44 4.3 56.3 1.0
N C:GLY103 4.5 47.4 1.0
CA C:CYS42 4.6 47.8 1.0
N C:ALA67 4.9 44.4 1.0
CA C:ALA67 4.9 43.7 1.0
C C:CYS42 5.0 48.8 1.0

Zinc binding site 4 out of 6 in 3e3g

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Zinc binding site 4 out of 6 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn230

b:40.8
occ:1.00
 OD2 D:ASP44 2.0 41.9 1.0
NE2 D:HIS98 2.1 37.6 1.0
SG D:CYS101 2.3 40.4 1.0
SG D:CYS42 2.3 39.8 1.0
CE1 D:HIS98 2.9 38.9 1.0
CG D:ASP44 2.9 45.2 1.0
CB D:ASP44 3.0 44.8 1.0
CD2 D:HIS98 3.2 39.2 1.0
CB D:CYS42 3.3 40.1 1.0
CB D:CYS101 3.4 42.6 1.0
CA D:CYS101 3.7 42.8 1.0
ND1 D:HIS98 4.0 38.6 1.0
N D:GLY102 4.0 43.1 1.0
N D:ASP44 4.1 43.4 1.0
CA D:ASP44 4.1 44.9 1.0
OD1 D:ASP44 4.1 48.5 1.0
C D:CYS101 4.2 43.1 1.0
CG D:HIS98 4.2 40.6 1.0
O D:HOH240 4.2 34.4 1.0
N D:GLY103 4.3 43.3 1.0
N D:SER45 4.4 47.3 1.0
C D:ASP44 4.5 46.1 1.0
CA D:CYS42 4.7 39.8 1.0
N D:ALA67 4.8 40.8 1.0
CA D:ALA67 4.9 40.7 1.0
C D:CYS42 4.9 39.6 1.0
N D:CYS101 5.0 43.4 1.0

Zinc binding site 5 out of 6 in 3e3g

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Zinc binding site 5 out of 6 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn230

b:50.4
occ:1.00
 OD2 E:ASP44 2.0 55.5 1.0
NE2 E:HIS98 2.1 51.5 1.0
SG E:CYS101 2.3 49.7 1.0
SG E:CYS42 2.3 49.3 1.0
CG E:ASP44 2.6 56.3 1.0
CE1 E:HIS98 2.7 50.2 1.0
CB E:ASP44 3.1 55.7 1.0
CD2 E:HIS98 3.2 49.5 1.0
CB E:CYS42 3.3 48.3 1.0
CB E:CYS101 3.3 51.4 1.0
OD1 E:ASP44 3.5 59.9 1.0
CA E:CYS101 3.7 51.4 1.0
ND1 E:HIS98 3.8 49.6 1.0
N E:GLY102 4.1 51.2 1.0
N E:SER45 4.1 58.7 1.0
CA E:ASP44 4.1 55.4 1.0
CG E:HIS98 4.1 49.8 1.0
N E:ASP44 4.1 53.6 1.0
C E:CYS101 4.2 51.6 1.0
O E:HOH239 4.3 41.8 1.0
N E:GLY103 4.4 50.4 1.0
C E:ASP44 4.6 56.9 1.0
CA E:CYS42 4.7 48.3 1.0
CA E:SER45 4.9 59.4 1.0
C E:CYS42 4.9 48.3 1.0

Zinc binding site 6 out of 6 in 3e3g

Go back to Zinc Binding Sites List in 3e3g
Zinc binding site 6 out of 6 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn230

b:42.1
occ:1.00
 OD2 F:ASP44 2.0 52.0 1.0
NE2 F:HIS98 2.1 43.8 1.0
SG F:CYS101 2.3 44.8 1.0
SG F:CYS42 2.3 43.5 1.0
CG F:ASP44 2.8 50.7 1.0
CB F:ASP44 2.9 50.4 1.0
CE1 F:HIS98 3.0 42.6 1.0
CD2 F:HIS98 3.2 44.0 1.0
CB F:CYS42 3.2 42.6 1.0
CB F:CYS101 3.3 45.2 1.0
CA F:CYS101 3.6 45.4 1.0
OD1 F:ASP44 3.9 53.0 1.0
N F:GLY102 4.0 45.0 1.0
ND1 F:HIS98 4.1 43.4 1.0
CA F:ASP44 4.1 49.6 1.0
C F:CYS101 4.1 45.2 1.0
N F:ASP44 4.2 47.9 1.0
CG F:HIS98 4.2 43.8 1.0
O F:HOH239 4.3 35.1 1.0
N F:SER45 4.3 53.1 1.0
N F:GLY103 4.5 44.5 1.0
CA F:CYS42 4.7 43.5 1.0
C F:ASP44 4.7 51.7 1.0
N F:ALA67 4.8 39.7 1.0
CA F:ALA67 5.0 39.5 1.0
N F:CYS101 5.0 45.8 1.0
C F:CYS42 5.0 43.5 1.0

Reference:

R.S.Rowlett, K.M.Hoffmann, H.Failing, M.M.Mysliwiec, D.Samardzic. Evidence For A Bicarbonate "Escort" Site in Haemophilus Influenzae Beta-Carbonic Anhydrase . Biochemistry V. 49 3640 2010.
ISSN: ISSN 0006-2960
PubMed: 20359198
DOI: 10.1021/BI100328J
Page generated: Thu Oct 24 12:35:51 2024

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