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Zinc in PDB 2w3n: Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans

Enzymatic activity of Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans

All present enzymatic activity of Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans:
4.2.1.1;

Protein crystallography data

The structure of Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans, PDB code: 2w3n was solved by C.Schlicker, R.A.Hall, D.Vullo, S.Middelhaufe, M.Gertz, C.T.Supuran, F.A.Muehlschlegel, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.56 / 2.05
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 177.980, 56.590, 83.220, 90.00, 116.58, 90.00
R / Rfree (%) 18.7 / 23.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans (pdb code 2w3n). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans, PDB code: 2w3n:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 2w3n

Go back to Zinc Binding Sites List in 2w3n
Zinc binding site 1 out of 3 in the Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1232

b:20.9
occ:1.00
 O A:ACT1233 1.9 19.6 0.5
OXT A:ACT1233 2.0 25.3 0.5
SG A:CYS68 2.2 17.3 1.0
NE2 A:HIS124 2.2 14.8 1.0
SG A:CYS127 2.4 21.7 1.0
C A:ACT1233 2.8 20.3 0.5
CD2 A:HIS124 3.1 17.5 1.0
CH3 A:ACT1233 3.2 12.7 0.5
CE1 A:HIS124 3.2 16.0 1.0
C A:ACT1233 3.2 24.7 0.5
CB A:CYS68 3.3 13.9 1.0
CB A:CYS127 3.3 21.1 1.0
CA A:CYS127 3.6 21.3 1.0
OXT A:ACT1233 3.9 23.0 0.5
CB A:ASP70 4.0 14.8 1.0
CH3 A:ACT1233 4.1 23.8 0.5
O A:ACT1233 4.1 23.1 0.5
C A:CYS127 4.2 21.5 1.0
N A:GLY128 4.2 21.3 1.0
CG A:HIS124 4.3 16.9 1.0
O A:HOH2028 4.3 18.0 1.0
ND1 A:HIS124 4.3 13.7 1.0
N A:ALA93 4.3 17.5 1.0
OD2 A:ASP70 4.4 19.2 1.0
CA A:ALA93 4.4 19.3 1.0
CG A:ASP70 4.6 19.9 1.0
CA A:CYS68 4.7 15.7 1.0
N A:ASP70 4.7 14.5 1.0
N A:GLY129 4.7 22.4 1.0
N A:CYS127 4.8 20.6 1.0
OD1 A:ASN94 4.9 20.2 1.0
CA A:ASP70 4.9 16.0 1.0

Zinc binding site 2 out of 3 in 2w3n

Go back to Zinc Binding Sites List in 2w3n
Zinc binding site 2 out of 3 in the Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1234

b:29.1
occ:1.00
 NE2 B:HIS124 2.1 14.7 1.0
OXT B:ACT1235 2.1 46.4 1.0
SG B:CYS68 2.2 24.6 1.0
SG B:CYS127 2.4 27.2 1.0
C B:ACT1235 2.9 47.0 1.0
CE1 B:HIS124 3.0 15.3 1.0
CD2 B:HIS124 3.1 16.5 1.0
CH3 B:ACT1235 3.2 42.9 1.0
CB B:CYS68 3.3 22.1 1.0
CB B:CYS127 3.3 27.9 1.0
CA B:CYS127 3.5 28.2 1.0
CB B:ASP70 4.0 21.7 1.0
O B:ACT1235 4.0 49.2 1.0
ND1 B:HIS124 4.1 17.4 1.0
O B:HOH2013 4.2 17.2 1.0
CG B:HIS124 4.2 17.5 1.0
C B:CYS127 4.2 30.2 1.0
N B:GLY128 4.2 30.9 1.0
N B:ALA93 4.4 27.0 1.0
OD2 B:ASP70 4.5 25.9 1.0
CA B:ALA93 4.5 26.5 1.0
CG B:ASP70 4.7 23.8 1.0
N B:CYS127 4.7 28.4 1.0
CA B:CYS68 4.7 24.1 1.0
N B:GLY129 4.8 33.5 1.0
N B:ASP70 4.8 21.7 1.0
OD1 B:ASN94 5.0 30.7 1.0
CA B:ASP70 5.0 22.4 1.0

Zinc binding site 3 out of 3 in 2w3n

Go back to Zinc Binding Sites List in 2w3n
Zinc binding site 3 out of 3 in the Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn1232

b:31.4
occ:1.00
 OXT C:ACT1233 1.9 38.9 1.0
NE2 C:HIS124 2.1 21.0 1.0
SG C:CYS68 2.2 28.9 1.0
SG C:CYS127 2.5 32.9 1.0
C C:ACT1233 2.9 44.8 1.0
CD2 C:HIS124 3.0 22.7 1.0
CE1 C:HIS124 3.2 24.8 1.0
CB C:CYS68 3.3 24.4 1.0
CB C:CYS127 3.3 32.4 1.0
CH3 C:ACT1233 3.4 39.4 1.0
CA C:CYS127 3.6 34.6 1.0
CB C:ASP70 4.0 23.8 1.0
O C:ACT1233 4.0 45.9 1.0
O C:HOH2018 4.0 29.4 1.0
CA C:ALA93 4.1 29.9 1.0
N C:ALA93 4.2 28.8 1.0
OD2 C:ASP70 4.2 32.1 1.0
CG C:HIS124 4.2 23.4 1.0
ND1 C:HIS124 4.2 23.6 1.0
N C:GLY128 4.2 37.4 1.0
C C:CYS127 4.3 36.9 1.0
CG C:ASP70 4.6 26.3 1.0
N C:GLY129 4.6 37.9 1.0
CA C:CYS68 4.7 25.1 1.0
OD1 C:ASN94 4.8 25.6 1.0
CB C:ALA93 4.8 29.9 1.0
N C:ASP70 4.8 20.9 1.0
N C:CYS127 4.9 32.6 1.0
CA C:ASP70 5.0 22.5 1.0

Reference:

C.Schlicker, R.A.Hall, D.Vullo, S.Middelhaufe, M.Gertz, C.T.Supuran, F.A.Muhlschlegel, C.Steegborn. Structure and Inhibition of the CO2-Sensing Carbonic Anhydrase CAN2 From the Pathogenic Fungus Cryptococcus Neoformans. J. Mol. Biol. V. 385 1207 2009.
ISSN: ESSN 1089-8638
PubMed: 19071134
DOI: 10.1016/J.JMB.2008.11.037
Page generated: Thu Oct 17 04:43:50 2024

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