Chlorine in PDB 3m98: Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H- Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H- Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H- Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H- Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide, PDB code: 3m98 was solved by S.Grazulis, E.Manakova, D.Golovenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.81 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.233, 41.112, 72.109, 90.00, 104.05, 90.00
R / Rfree (%) 13.5 / 18.4

Other elements in 3m98:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H- Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H- Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide (pdb code 3m98). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H- Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide, PDB code: 3m98:

Chlorine binding site 1 out of 1 in 3m98

Go back to Chlorine Binding Sites List in 3m98
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H- Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H- Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl263

b:13.9
occ:1.00
 CL21 A:E02263 0.0 13.9 1.0
C16 A:E02263 1.7 13.4 1.0
C17 A:E02263 2.7 15.2 1.0
C15 A:E02263 2.7 9.6 1.0
S19 A:E02263 3.2 11.2 1.0
O22 A:E02263 3.2 9.8 1.0
O20 A:E02263 3.2 10.4 1.0
CG2 A:VAL143 3.4 8.7 1.0
CD2 A:LEU198 3.6 16.2 1.0
CD1 A:LEU141 3.7 9.1 1.0
CG1 A:VAL121 3.9 9.2 1.0
CG2 A:VAL121 3.9 8.8 1.0
C14 A:E02263 4.0 12.4 1.0
C18 A:E02263 4.0 18.6 1.0
CG2 A:VAL207 4.4 8.7 1.0
CB A:VAL121 4.5 7.7 1.0
C13 A:E02263 4.5 17.7 1.0
CG A:LEU198 4.6 15.8 1.0
CA A:LEU198 4.7 7.2 1.0
CB A:VAL143 4.7 8.6 1.0
N23 A:E02263 4.8 9.8 1.0
CB A:LEU198 4.8 9.7 1.0
CG A:LEU141 5.0 9.2 1.0
CG1 A:VAL143 5.0 9.4 1.0

Reference:

E.Capkauskaite, L.Baranauskiene, S.Grazulis, E.Manakova, D.Golovenko, D.Matulis. Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-(1H-Benzimidazol-1-Ylacetyl) -2-Chlorobenzenesulfonamide To Be Published.
Page generated: Sun Jul 21 00:04:31 2024

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