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Cobalt in PDB 3mf3: Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase

Enzymatic activity of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase

All present enzymatic activity of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase:
4.2.1.1;

Protein crystallography data

The structure of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase, PDB code: 3mf3 was solved by K.M.Hoffmann, R.S.Rowlett, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.87 / 2.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 229.492, 144.929, 52.215, 90.00, 93.77, 90.00
R / Rfree (%) 17.3 / 22.8

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase (pdb code 3mf3). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 6 binding sites of Cobalt where determined in the Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase, PDB code: 3mf3:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5; 6;

Cobalt binding site 1 out of 6 in 3mf3

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Cobalt binding site 1 out of 6 in the Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co230

b:52.4
occ:1.00
 NE2 A:HIS98 1.7 57.8 1.0
OD1 A:ASP44 2.1 62.7 1.0
SG A:CYS101 2.2 52.2 1.0
SG A:CYS42 2.2 50.4 1.0
CE1 A:HIS98 2.5 55.9 1.0
CD2 A:HIS98 2.9 53.0 1.0
CG A:ASP44 3.0 57.2 1.0
CB A:CYS42 3.2 45.0 1.0
CB A:CYS101 3.2 57.3 1.0
CB A:ASP44 3.3 55.0 1.0
CA A:CYS101 3.6 57.0 1.0
ND1 A:HIS98 3.7 54.3 1.0
CG A:HIS98 3.9 54.9 1.0
N A:GLY102 4.1 56.0 1.0
O A:HOH245 4.1 39.6 1.0
C A:CYS101 4.2 56.9 1.0
OD2 A:ASP44 4.2 59.6 1.0
N A:ASP44 4.3 51.9 1.0
N A:GLY103 4.3 54.2 1.0
CA A:ASP44 4.4 54.7 1.0
CA A:CYS42 4.6 46.1 1.0
N A:ALA67 4.7 45.9 1.0
CA A:ALA67 4.8 46.3 1.0
N A:CYS101 4.9 60.0 1.0
C A:CYS42 5.0 46.4 1.0

Cobalt binding site 2 out of 6 in 3mf3

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Cobalt binding site 2 out of 6 in the Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co230

b:56.8
occ:1.00
 OD2 B:ASP44 1.7 58.3 1.0
NE2 B:HIS98 1.9 54.6 1.0
SG B:CYS101 2.1 54.3 1.0
SG B:CYS42 2.3 52.6 1.0
CE1 B:HIS98 2.7 57.4 1.0
CG B:ASP44 2.8 59.0 1.0
CD2 B:HIS98 3.0 54.5 1.0
CB B:CYS101 3.2 55.6 1.0
CB B:ASP44 3.2 57.5 1.0
CB B:CYS42 3.4 49.8 1.0
CA B:CYS101 3.5 56.8 1.0
ND1 B:HIS98 3.9 57.1 1.0
OD1 B:ASP44 3.9 53.7 1.0
N B:GLY102 4.0 55.2 1.0
CG B:HIS98 4.0 55.4 1.0
C B:CYS101 4.0 55.6 1.0
CA B:ASP44 4.4 58.5 1.0
N B:ASP44 4.5 56.5 1.0
N B:GLY103 4.5 53.8 1.0
O B:HOH239 4.6 53.5 1.0
N B:ALA67 4.8 47.2 1.0
CA B:CYS42 4.8 49.2 1.0
CA B:ALA67 4.8 48.4 1.0
N B:CYS101 4.9 59.4 1.0
O B:CYS101 4.9 55.8 1.0

Cobalt binding site 3 out of 6 in 3mf3

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Cobalt binding site 3 out of 6 in the Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co230

b:51.9
occ:1.00
 OD2 C:ASP44 1.9 57.3 1.0
NE2 C:HIS98 2.0 59.0 1.0
SG C:CYS101 2.0 50.9 1.0
SG C:CYS42 2.2 52.8 1.0
CE1 C:HIS98 2.6 57.7 1.0
CG C:ASP44 2.9 58.3 1.0
CD2 C:HIS98 3.2 58.3 1.0
CB C:CYS42 3.2 50.4 1.0
CB C:CYS101 3.3 52.6 1.0
CB C:ASP44 3.3 55.7 1.0
CA C:CYS101 3.7 54.8 1.0
ND1 C:HIS98 3.8 55.0 1.0
OD1 C:ASP44 4.0 57.9 1.0
O C:HOH247 4.0 34.5 1.0
N C:GLY102 4.0 54.0 1.0
CG C:HIS98 4.1 55.8 1.0
C C:CYS101 4.2 54.8 1.0
N C:GLY103 4.4 54.4 1.0
N C:ASP44 4.5 52.8 1.0
CA C:ASP44 4.5 55.4 1.0
CA C:CYS42 4.6 49.5 1.0
N C:ALA67 4.7 44.1 1.0
CA C:ALA67 4.7 44.2 1.0

Cobalt binding site 4 out of 6 in 3mf3

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Cobalt binding site 4 out of 6 in the Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co230

b:58.1
occ:1.00
 NE2 D:HIS98 2.0 65.6 1.0
SG D:CYS101 2.1 57.3 1.0
OD2 D:ASP44 2.1 61.2 1.0
SG D:CYS42 2.2 57.4 1.0
CE1 D:HIS98 2.9 65.3 1.0
CD2 D:HIS98 3.0 62.5 1.0
CG D:ASP44 3.0 61.2 1.0
CB D:CYS101 3.2 61.0 1.0
CB D:CYS42 3.2 52.0 1.0
CB D:ASP44 3.3 60.5 1.0
CA D:CYS101 3.6 62.4 1.0
N D:GLY102 3.9 61.4 1.0
ND1 D:HIS98 4.0 64.5 1.0
C D:CYS101 4.0 62.1 1.0
CG D:HIS98 4.1 62.2 1.0
OD1 D:ASP44 4.2 64.4 1.0
N D:GLY103 4.4 58.7 1.0
N D:ASP44 4.5 58.6 1.0
CA D:ASP44 4.5 60.6 1.0
N D:ALA67 4.6 45.1 1.0
CA D:CYS42 4.6 52.0 1.0
CA D:ALA67 4.7 44.9 1.0
O D:CYS101 4.9 63.9 1.0
CA D:GLY102 4.9 60.6 1.0
N D:CYS101 4.9 65.2 1.0
C D:CYS42 5.0 53.0 1.0

Cobalt binding site 5 out of 6 in 3mf3

Go back to Cobalt Binding Sites List in 3mf3
Cobalt binding site 5 out of 6 in the Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Co230

b:59.1
occ:1.00
 OD2 E:ASP44 1.8 60.9 1.0
CE1 E:HIS98 2.0 66.2 1.0
SG E:CYS101 2.2 57.9 1.0
SG E:CYS42 2.2 57.0 1.0
CG E:ASP44 2.9 62.7 1.0
NE2 E:HIS98 2.9 66.5 1.0
ND1 E:HIS98 3.0 64.3 1.0
CB E:CYS101 3.2 59.4 1.0
CB E:CYS42 3.2 53.2 1.0
CB E:ASP44 3.4 62.6 1.0
CA E:CYS101 3.6 59.7 1.0
OD1 E:ASP44 4.0 59.5 1.0
CD2 E:HIS98 4.0 66.0 1.0
N E:GLY102 4.1 57.3 1.0
CG E:HIS98 4.1 62.4 1.0
C E:CYS101 4.2 59.2 1.0
N E:GLY103 4.4 53.9 1.0
N E:ASP44 4.4 58.8 1.0
CA E:ASP44 4.5 62.4 1.0
CA E:CYS42 4.7 52.1 1.0
N E:ALA67 4.7 49.5 1.0
CA E:ALA67 4.7 48.8 1.0
N E:CYS101 4.9 62.1 1.0
OD1 E:ASN68 5.0 51.7 1.0

Cobalt binding site 6 out of 6 in 3mf3

Go back to Cobalt Binding Sites List in 3mf3
Cobalt binding site 6 out of 6 in the Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 6 of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Co230

b:56.3
occ:1.00
 OD2 F:ASP44 1.9 62.2 1.0
SG F:CYS101 2.1 60.3 1.0
NE2 F:HIS98 2.1 56.7 1.0
SG F:CYS42 2.2 55.7 1.0
CG F:ASP44 2.8 63.8 1.0
CB F:ASP44 3.0 64.4 1.0
CE1 F:HIS98 3.1 57.6 1.0
CD2 F:HIS98 3.1 59.4 1.0
CB F:CYS101 3.2 61.4 1.0
CB F:CYS42 3.3 54.7 1.0
CA F:CYS101 3.6 62.3 1.0
OD1 F:ASP44 4.0 64.1 1.0
N F:GLY102 4.0 60.7 1.0
C F:CYS101 4.1 61.4 1.0
ND1 F:HIS98 4.2 58.6 1.0
O F:HOH234 4.2 57.3 1.0
CG F:HIS98 4.2 59.1 1.0
CA F:ASP44 4.2 64.4 1.0
N F:ASP44 4.3 60.8 1.0
N F:GLY103 4.5 56.2 1.0
N F:ALA67 4.6 46.9 1.0
CA F:CYS42 4.7 54.3 1.0
CA F:ALA67 4.7 47.2 1.0
N F:CYS101 5.0 64.9 1.0
O F:HOH228 5.0 61.3 1.0
C F:CYS42 5.0 55.2 1.0

Reference:

K.M.Hoffmann, D.Samardzic, K.Van Den Heever, R.S.Rowlett. The Structure and Properties of Cobalt(II)-Substituted Haemophilus Influenzae B-Carbonic Anhydrase. To Be Published.
Page generated: Tue Jul 30 16:20:53 2024

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