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Zinc in PDB 3e3i: H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate

Enzymatic activity of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate

All present enzymatic activity of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate:
4.2.1.1;

Protein crystallography data

The structure of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate, PDB code: 3e3i 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) 29.75 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 229.593, 144.437, 104.891, 90.00, 94.43, 90.00
R / Rfree (%) 20.1 / 23.6

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Zinc atom in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate (pdb code 3e3i). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate, PDB code: 3e3i:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in 3e3i

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Zinc binding site 1 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


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 with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn230

b:31.9
occ:1.00
 OD2 A:ASP44 2.0 29.6 1.0
NE2 A:HIS98 2.1 33.4 1.0
SG A:CYS101 2.3 34.6 1.0
SG A:CYS42 2.3 31.9 1.0
CG A:ASP44 2.8 35.5 1.0
CE1 A:HIS98 3.0 33.2 1.0
CD2 A:HIS98 3.1 31.1 1.0
OD1 A:ASP44 3.1 39.2 1.0
CB A:CYS42 3.2 32.7 1.0
CB A:CYS101 3.3 34.4 1.0
CA A:CYS101 3.6 34.0 1.0
C A:ASP44 4.0 36.0 1.0
N A:GLY102 4.1 34.6 1.0
N A:SER45 4.1 37.2 1.0
CB A:ASP44 4.1 34.9 1.0
ND1 A:HIS98 4.1 32.7 1.0
C A:CYS101 4.1 34.2 1.0
CG A:HIS98 4.2 32.4 1.0
O A:HOH233 4.3 25.6 1.0
N A:ASP44 4.3 34.3 1.0
CA A:ASP44 4.3 35.4 1.0
N A:GLY103 4.3 33.9 1.0
O A:ASP44 4.4 37.0 1.0
CA A:CYS42 4.6 32.7 1.0
CA A:SER45 4.8 37.6 1.0
N A:ALA67 4.8 29.4 1.0
N A:CYS101 4.8 34.0 1.0
CA A:ALA67 4.9 29.5 1.0
OD1 A:ASN68 4.9 32.4 1.0
C A:CYS42 5.0 33.3 1.0

Zinc binding site 2 out of 12 in 3e3i

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Zinc binding site 2 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


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 with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn230

b:31.3
occ:1.00
 OD2 B:ASP44 2.0 30.2 1.0
NE2 B:HIS98 2.1 31.3 1.0
SG B:CYS101 2.3 29.5 1.0
SG B:CYS42 2.4 29.0 1.0
CG B:ASP44 2.9 30.2 1.0
CE1 B:HIS98 3.0 30.8 1.0
CD2 B:HIS98 3.0 29.3 1.0
CB B:CYS42 3.2 28.4 1.0
CB B:ASP44 3.2 30.3 1.0
CB B:CYS101 3.4 31.4 1.0
CA B:CYS101 3.6 31.9 1.0
OD1 B:ASP44 4.0 31.3 1.0
N B:GLY102 4.1 32.4 1.0
ND1 B:HIS98 4.1 29.9 1.0
CG B:HIS98 4.2 30.4 1.0
C B:CYS101 4.2 32.2 1.0
O B:HOH235 4.2 24.9 1.0
N B:ASP44 4.3 30.6 1.0
CA B:ASP44 4.3 30.6 1.0
N B:GLY103 4.5 31.9 1.0
CA B:CYS42 4.6 28.6 1.0
N B:ALA67 4.9 29.5 1.0
CA B:ALA67 4.9 29.6 1.0
N B:CYS101 4.9 31.7 1.0
O B:HOH260 5.0 37.3 1.0
C B:CYS42 5.0 28.8 1.0

Zinc binding site 3 out of 12 in 3e3i

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Zinc binding site 3 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


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 with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn230

b:32.3
occ:1.00
 OD2 C:ASP44 2.0 32.5 1.0
NE2 C:HIS98 2.1 30.9 1.0
SG C:CYS101 2.3 33.7 1.0
SG C:CYS42 2.3 31.7 1.0
CG C:ASP44 2.8 36.8 1.0
CE1 C:HIS98 3.0 30.2 1.0
CD2 C:HIS98 3.1 29.6 1.0
OD1 C:ASP44 3.1 39.1 1.0
CB C:CYS42 3.2 31.7 1.0
CB C:CYS101 3.3 35.0 1.0
CA C:CYS101 3.6 35.1 1.0
C C:ASP44 4.1 40.2 1.0
CB C:ASP44 4.1 38.0 1.0
N C:GLY102 4.1 35.8 1.0
ND1 C:HIS98 4.1 29.4 1.0
CG C:HIS98 4.2 30.9 1.0
C C:CYS101 4.2 35.0 1.0
O C:ASP44 4.3 41.8 1.0
O C:HOH234 4.3 26.0 1.0
N C:ASP44 4.3 36.3 1.0
N C:SER45 4.3 42.3 1.0
CA C:ASP44 4.3 38.2 1.0
N C:GLY103 4.4 35.5 1.0
CA C:CYS42 4.6 32.1 1.0
CA C:SER45 4.9 43.0 1.0
N C:ALA67 4.9 28.8 1.0
C C:CYS42 4.9 32.5 1.0
N C:CYS101 4.9 35.0 1.0
CA C:ALA67 4.9 28.8 1.0

Zinc binding site 4 out of 12 in 3e3i

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Zinc binding site 4 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


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 with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn230

b:30.3
occ:1.00
 OD2 D:ASP44 2.0 29.1 1.0
NE2 D:HIS98 2.1 30.1 1.0
SG D:CYS101 2.3 32.0 1.0
SG D:CYS42 2.4 28.1 1.0
CG D:ASP44 2.9 31.2 1.0
CD2 D:HIS98 3.0 28.6 1.0
CE1 D:HIS98 3.0 30.4 1.0
CB D:CYS42 3.2 28.5 1.0
CB D:ASP44 3.3 30.9 1.0
CB D:CYS101 3.3 33.1 1.0
CA D:CYS101 3.7 33.5 1.0
OD1 D:ASP44 4.0 29.6 1.0
N D:GLY102 4.1 33.7 1.0
ND1 D:HIS98 4.1 31.9 1.0
CG D:HIS98 4.2 30.1 1.0
C D:CYS101 4.2 33.6 1.0
O D:HOH235 4.3 30.3 1.0
N D:ASP44 4.3 30.4 1.0
CA D:ASP44 4.4 30.7 1.0
N D:GLY103 4.5 33.1 1.0
CA D:CYS42 4.6 28.1 1.0
N D:ALA67 4.8 29.0 1.0
CA D:ALA67 4.9 29.0 1.0
O D:HOH276 4.9 42.8 1.0
N D:CYS101 4.9 33.7 1.0
C D:CYS42 5.0 28.8 1.0

Zinc binding site 5 out of 12 in 3e3i

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Zinc binding site 5 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


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 with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn230

b:28.3
occ:1.00
 OD2 E:ASP44 2.0 27.3 1.0
NE2 E:HIS98 2.1 31.6 1.0
SG E:CYS101 2.3 31.8 1.0
SG E:CYS42 2.3 27.4 1.0
CE1 E:HIS98 2.9 31.1 1.0
CG E:ASP44 3.0 29.5 1.0
CD2 E:HIS98 3.1 30.9 1.0
CB E:CYS42 3.2 28.4 1.0
CB E:CYS101 3.3 32.5 1.0
CB E:ASP44 3.3 30.1 1.0
CA E:CYS101 3.6 32.5 1.0
ND1 E:HIS98 4.1 30.3 1.0
OD1 E:ASP44 4.1 30.7 1.0
N E:GLY102 4.1 32.5 1.0
CG E:HIS98 4.2 30.7 1.0
O E:HOH234 4.2 22.6 1.0
C E:CYS101 4.2 32.5 1.0
O E:HOH294 4.4 43.0 1.0
N E:ASP44 4.4 29.4 1.0
N E:GLY103 4.4 31.4 1.0
CA E:ASP44 4.5 29.3 1.0
CA E:CYS42 4.7 28.1 1.0
N E:ALA67 4.8 27.6 1.0
O E:HOH253 4.8 36.3 1.0
OD1 E:ASN68 4.8 29.1 1.0
CA E:ALA67 4.9 27.6 1.0
N E:CYS101 5.0 32.9 1.0

Zinc binding site 6 out of 12 in 3e3i

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Zinc binding site 6 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


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 with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn230

b:31.4
occ:1.00
 OD2 F:ASP44 2.0 29.5 1.0
NE2 F:HIS98 2.1 33.0 1.0
SG F:CYS101 2.3 30.6 1.0
SG F:CYS42 2.3 30.9 1.0
CG F:ASP44 2.9 31.2 1.0
CE1 F:HIS98 3.0 30.2 1.0
CD2 F:HIS98 3.1 32.1 1.0
CB F:CYS42 3.3 30.6 1.0
CB F:ASP44 3.3 31.6 1.0
CB F:CYS101 3.3 31.6 1.0
CA F:CYS101 3.6 31.7 1.0
OD1 F:ASP44 4.0 30.7 1.0
N F:GLY102 4.0 31.6 1.0
ND1 F:HIS98 4.1 29.8 1.0
CG F:HIS98 4.1 30.6 1.0
C F:CYS101 4.2 31.6 1.0
O F:HOH243 4.2 27.8 1.0
N F:ASP44 4.4 31.4 1.0
N F:GLY103 4.4 31.6 1.0
CA F:ASP44 4.5 31.5 1.0
CA F:CYS42 4.7 30.7 1.0
O F:HOH260 4.8 33.3 1.0
N F:ALA67 4.8 29.4 1.0
CA F:ALA67 4.8 29.9 1.0
N F:CYS101 4.9 31.7 1.0
OD1 F:ASN68 5.0 31.1 1.0

Zinc binding site 7 out of 12 in 3e3i

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Zinc binding site 7 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Zn230

b:31.9
occ:1.00
 OD2 G:ASP44 2.0 31.6 1.0
NE2 G:HIS98 2.1 30.7 1.0
SG G:CYS101 2.3 32.2 1.0
SG G:CYS42 2.3 31.7 1.0
CE1 G:HIS98 2.9 30.4 1.0
CG G:ASP44 2.9 31.8 1.0
CD2 G:HIS98 3.2 30.3 1.0
CB G:CYS42 3.2 28.9 1.0
CB G:ASP44 3.3 30.6 1.0
CB G:CYS101 3.3 34.2 1.0
CA G:CYS101 3.7 34.1 1.0
OD1 G:ASP44 4.0 32.4 1.0
ND1 G:HIS98 4.0 29.7 1.0
N G:GLY102 4.0 33.7 1.0
CG G:HIS98 4.2 31.6 1.0
O G:HOH249 4.2 31.6 1.0
C G:CYS101 4.3 34.0 1.0
N G:ASP44 4.4 30.9 1.0
CA G:ASP44 4.4 31.4 1.0
N G:GLY103 4.5 33.8 1.0
CA G:CYS42 4.6 29.9 1.0
N G:ALA67 4.8 30.9 1.0
O G:HOH244 4.9 36.7 1.0
CA G:ALA67 4.9 31.0 1.0

Zinc binding site 8 out of 12 in 3e3i

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Zinc binding site 8 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn230

b:32.7
occ:1.00
 OD2 H:ASP44 2.0 34.7 1.0
NE2 H:HIS98 2.1 32.4 1.0
SG H:CYS101 2.3 33.5 1.0
SG H:CYS42 2.3 29.5 1.0
CG H:ASP44 2.9 33.2 1.0
CE1 H:HIS98 3.0 31.9 1.0
CD2 H:HIS98 3.0 34.2 1.0
CB H:CYS42 3.2 29.2 1.0
CB H:CYS101 3.3 32.8 1.0
CB H:ASP44 3.3 33.1 1.0
CA H:CYS101 3.7 33.5 1.0
OD1 H:ASP44 4.0 36.0 1.0
ND1 H:HIS98 4.1 31.9 1.0
N H:GLY102 4.1 33.3 1.0
CG H:HIS98 4.2 31.9 1.0
C H:CYS101 4.3 33.2 1.0
O H:HOH238 4.3 26.2 1.0
N H:ASP44 4.4 32.7 1.0
CA H:ASP44 4.5 32.8 1.0
N H:GLY103 4.6 33.6 1.0
CA H:CYS42 4.6 29.7 1.0
N H:ALA67 4.7 31.9 1.0
CA H:ALA67 4.8 31.8 1.0
N H:CYS101 4.9 33.8 1.0
O H:HOH250 5.0 33.3 1.0
OD1 H:ASN68 5.0 32.6 1.0

Zinc binding site 9 out of 12 in 3e3i

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Zinc binding site 9 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Zn230

b:36.7
occ:1.00
 OD2 I:ASP44 2.0 36.5 1.0
NE2 I:HIS98 2.1 34.8 1.0
SG I:CYS101 2.3 35.5 1.0
SG I:CYS42 2.3 35.4 1.0
CE1 I:HIS98 2.8 35.3 1.0
CG I:ASP44 3.0 35.0 1.0
CD2 I:HIS98 3.1 34.8 1.0
CB I:CYS42 3.2 34.7 1.0
CB I:ASP44 3.3 34.7 1.0
CB I:CYS101 3.4 35.7 1.0
CA I:CYS101 3.8 36.0 1.0
ND1 I:HIS98 4.0 35.1 1.0
OD1 I:ASP44 4.0 37.0 1.0
CG I:HIS98 4.1 34.1 1.0
O I:HOH234 4.2 27.4 1.0
N I:GLY102 4.2 35.8 1.0
C I:CYS101 4.3 35.9 1.0
N I:ASP44 4.4 34.9 1.0
N I:GLY103 4.5 34.9 1.0
CA I:ASP44 4.5 35.0 1.0
CA I:CYS42 4.6 35.1 1.0
O I:HOH249 4.7 34.7 1.0
N I:ALA67 4.8 33.7 1.0
CA I:ALA67 4.9 33.4 1.0
OD1 I:ASN68 5.0 28.9 1.0

Zinc binding site 10 out of 12 in 3e3i

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Zinc binding site 10 out of 12 in the H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of H. Influenzae Beta-Carbonic Anhydrase, Variant G41A with 100 Mm Bicarbonate within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Zn230

b:33.5
occ:1.00
 OD2 J:ASP44 2.0 33.0 1.0
NE2 J:HIS98 2.1 34.0 1.0
SG J:CYS101 2.3 33.5 1.0
SG J:CYS42 2.3 32.8 1.0
CG J:ASP44 2.8 34.4 1.0
CE1 J:HIS98 2.8 31.9 1.0
CD2 J:HIS98 3.2 32.8 1.0
CB J:ASP44 3.2 34.1 1.0
CB J:CYS42 3.2 32.8 1.0
CB J:CYS101 3.3 34.4 1.0
CA J:CYS101 3.6 34.6 1.0
OD1 J:ASP44 4.0 34.2 1.0
ND1 J:HIS98 4.0 33.7 1.0
N J:GLY102 4.2 34.7 1.0
CG J:HIS98 4.2 33.1 1.0
C J:CYS101 4.3 34.5 1.0
O J:HOH248 4.3 27.3 1.0
N J:ASP44 4.3 33.9 1.0
CA J:ASP44 4.4 34.1 1.0
N J:GLY103 4.5 35.1 1.0
CA J:CYS42 4.6 32.9 1.0
N J:ALA67 4.8 33.1 1.0
O J:HOH256 4.8 39.1 1.0
CA J:ALA67 4.9 32.9 1.0
N J:CYS101 4.9 34.7 1.0
OD1 J:ASN68 4.9 32.3 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 12:35:53 2024

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