Chlorine in PDB 6qn0: Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide

Enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide

All present enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide, PDB code: 6qn0 was solved by E.Dvinskis, J.Leitans, K.Tars, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.76 / 1.89
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 45.760, 74.760, 76.230, 90.02, 74.32, 90.00
R / Rfree (%) 16.5 / 22.5

Other elements in 6qn0:

The structure of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide (pdb code 6qn0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide, PDB code: 6qn0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6qn0

Go back to Chlorine Binding Sites List in 6qn0
Chlorine binding site 1 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:16.8
occ:1.00
CL1 A:J8Q302 0.0 16.8 1.0
C8 A:J8Q302 1.8 16.6 1.0
C9 A:J8Q302 2.7 20.1 1.0
C7 A:J8Q302 2.8 15.2 1.0
O6 A:J8Q302 3.1 12.7 1.0
S4 A:J8Q302 3.2 14.3 1.0
CG2 A:VAL143 3.3 14.4 1.0
O5 A:J8Q302 3.4 13.3 1.0
CG A:LEU198 3.8 19.1 1.0
CG1 A:VAL121 3.9 15.1 1.0
CG2 A:VAL207 4.0 17.4 1.0
C10 A:J8Q302 4.0 21.9 1.0
C12 A:J8Q302 4.0 17.9 1.0
CD1 A:LEU141 4.1 14.9 1.0
CG2 A:VAL121 4.2 14.3 1.0
CD2 A:LEU198 4.3 18.8 1.0
CA A:LEU198 4.5 17.5 1.0
CG1 A:VAL207 4.5 15.2 1.0
C11 A:J8Q302 4.5 20.1 1.0
CB A:LEU198 4.7 17.6 1.0
CD1 A:LEU198 4.7 19.1 1.0
CB A:VAL121 4.7 14.8 1.0
N1 A:J8Q302 4.8 12.9 1.0
CB A:VAL143 4.8 13.8 1.0
CB A:LEU141 4.8 15.9 1.0
CB A:VAL207 4.9 15.7 1.0

Chlorine binding site 2 out of 4 in 6qn0

Go back to Chlorine Binding Sites List in 6qn0
Chlorine binding site 2 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:18.1
occ:1.00
CL1 B:J8Q302 0.0 18.1 1.0
C8 B:J8Q302 1.8 17.4 1.0
C9 B:J8Q302 2.7 19.8 1.0
C7 B:J8Q302 2.9 16.3 1.0
O6 B:J8Q302 3.2 14.2 1.0
S4 B:J8Q302 3.3 15.9 1.0
CG2 B:VAL143 3.3 15.4 1.0
O5 B:J8Q302 3.4 12.8 1.0
CG2 B:VAL207 3.9 16.4 1.0
CD1 B:LEU141 3.9 20.9 1.0
CG1 B:VAL121 3.9 15.3 1.0
CG B:LEU198 3.9 17.2 1.0
C10 B:J8Q302 4.0 21.2 1.0
C12 B:J8Q302 4.1 17.8 1.0
CG2 B:VAL121 4.3 14.9 1.0
CA B:LEU198 4.5 14.7 1.0
C11 B:J8Q302 4.6 19.8 1.0
CD2 B:LEU198 4.6 18.6 1.0
CG1 B:VAL207 4.6 15.1 1.0
CB B:LEU198 4.6 16.2 1.0
CD1 B:LEU198 4.7 16.8 1.0
CB B:VAL121 4.7 14.7 1.0
CB B:LEU141 4.7 18.6 1.0
CB B:VAL143 4.8 15.3 1.0
CG B:LEU141 4.8 19.1 1.0
N1 B:J8Q302 4.9 16.1 1.0
CB B:VAL207 4.9 15.2 1.0

Chlorine binding site 3 out of 4 in 6qn0

Go back to Chlorine Binding Sites List in 6qn0
Chlorine binding site 3 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:18.4
occ:1.00
CL1 C:J8Q302 0.0 18.4 1.0
C8 C:J8Q302 1.8 17.5 1.0
C9 C:J8Q302 2.7 20.0 1.0
C7 C:J8Q302 2.8 16.7 1.0
O6 C:J8Q302 3.1 13.2 1.0
S4 C:J8Q302 3.2 15.4 1.0
O5 C:J8Q302 3.2 13.9 1.0
CG2 C:VAL143 3.3 18.4 1.0
CG1 C:VAL121 3.9 19.3 1.0
CG C:LEU198 3.9 17.2 1.0
CG2 C:VAL207 4.0 19.5 1.0
CG2 C:VAL121 4.0 18.7 1.0
C10 C:J8Q302 4.0 20.8 1.0
C12 C:J8Q302 4.1 16.4 1.0
CD1 C:LEU141 4.1 14.2 1.0
CA C:LEU198 4.5 16.0 1.0
CD2 C:LEU198 4.5 18.4 1.0
C11 C:J8Q302 4.6 19.2 1.0
CG1 C:VAL207 4.6 18.0 1.0
CB C:VAL121 4.6 17.5 1.0
CD1 C:LEU198 4.6 17.1 1.0
CB C:LEU198 4.7 16.2 1.0
CB C:VAL143 4.7 15.8 1.0
N1 C:J8Q302 4.8 15.8 1.0
CB C:LEU141 4.9 14.9 1.0
CB C:VAL207 4.9 17.8 1.0

Chlorine binding site 4 out of 4 in 6qn0

Go back to Chlorine Binding Sites List in 6qn0
Chlorine binding site 4 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:17.5
occ:1.00
CL1 D:J8Q302 0.0 17.5 1.0
C8 D:J8Q302 1.7 17.7 1.0
C9 D:J8Q302 2.7 19.0 1.0
C7 D:J8Q302 2.8 17.4 1.0
O5 D:J8Q302 3.1 16.4 1.0
S4 D:J8Q302 3.2 17.1 1.0
O6 D:J8Q302 3.3 17.0 1.0
CG2 D:VAL143 3.3 16.1 1.0
CG D:LEU198 3.8 16.2 1.0
CG2 D:VAL207 3.9 12.8 1.0
C10 D:J8Q302 4.0 21.2 1.0
CD1 D:LEU141 4.0 20.1 1.0
C12 D:J8Q302 4.0 18.2 1.0
CG1 D:VAL121 4.1 17.9 1.0
CG2 D:VAL121 4.3 18.3 1.0
CD2 D:LEU198 4.4 17.1 1.0
CD1 D:LEU198 4.5 16.3 1.0
CA D:LEU198 4.5 14.6 1.0
C11 D:J8Q302 4.5 20.2 1.0
CB D:LEU198 4.6 16.4 1.0
CG1 D:VAL207 4.6 12.9 1.0
CB D:LEU141 4.8 19.4 1.0
CB D:VAL121 4.8 17.5 1.0
CB D:VAL143 4.8 15.5 1.0
N1 D:J8Q302 4.8 19.8 1.0
CG D:LEU141 4.9 19.3 1.0
CB D:VAL207 4.9 12.7 1.0

Reference:

E.Dvinskis, J.Leitans, K.Tars. Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Benzenesulfonamide To Be Published.
Page generated: Sat Dec 12 13:34:09 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy