Chlorine in PDB 7pp9: Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide

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

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

Protein crystallography data

The structure of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide, PDB code: 7pp9 was solved by J.Leitans, K.Tars, E.Dvinskis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.86 / 2.34
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 45.822, 74.862, 76.439, 90, 105.46, 90.02
R / Rfree (%) 16.1 / 24.8

Other elements in 7pp9:

The structure of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide 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 Sulfonamide (pdb code 7pp9). 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 Sulfonamide, PDB code: 7pp9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7pp9

Go back to Chlorine Binding Sites List in 7pp9
Chlorine binding site 1 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide


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 Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:39.8
occ:1.00
CL A:7VZ302 0.0 39.8 1.0
C10 A:7VZ302 1.8 21.9 1.0
C9 A:7VZ302 2.7 19.9 1.0
O15 A:7VZ302 2.7 17.1 1.0
C11 A:7VZ302 2.8 18.1 1.0
C14 A:7VZ302 3.1 16.7 1.0
ND2 A:ASN62 3.4 21.5 1.0
O A:HOH477 3.5 14.3 1.0
C8 A:7VZ302 4.0 18.4 1.0
C12 A:7VZ302 4.1 17.1 1.0
CG A:ASN62 4.4 21.4 1.0
O16 A:7VZ302 4.4 15.5 1.0
C7 A:7VZ302 4.6 16.4 1.0
NE2 A:GLN92 4.7 21.4 1.0
OD1 A:ASN62 4.7 19.4 1.0
C27 A:7VZ302 4.9 27.4 1.0
CB A:HIS64 4.9 21.5 1.0

Chlorine binding site 2 out of 4 in 7pp9

Go back to Chlorine Binding Sites List in 7pp9
Chlorine binding site 2 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide


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 Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:40.3
occ:1.00
CL B:7VZ302 0.0 40.3 1.0
C10 B:7VZ302 1.8 27.8 1.0
C9 B:7VZ302 2.7 25.4 1.0
O15 B:7VZ302 2.8 20.8 1.0
ND2 B:ASN62 2.8 12.0 1.0
C11 B:7VZ302 2.8 23.9 1.0
O B:HOH537 3.0 20.2 1.0
C14 B:7VZ302 3.2 21.0 1.0
NE2 B:GLN92 3.9 22.0 1.0
CG B:ASN62 4.0 11.3 1.0
C8 B:7VZ302 4.0 23.9 1.0
C12 B:7VZ302 4.1 23.6 1.0
OD1 B:ASN62 4.5 11.9 1.0
O16 B:7VZ302 4.6 17.9 1.0
C7 B:7VZ302 4.6 19.1 1.0
CD B:LYS67 4.7 15.3 1.0
ND1 B:HIS94 4.7 7.4 1.0
C23 B:7VZ302 4.7 33.2 1.0
OE1 B:GLN92 4.8 22.0 1.0
CD B:GLN92 4.8 17.3 1.0
CG B:HIS94 4.9 7.8 1.0
CE1 B:HIS94 5.0 7.3 1.0

Chlorine binding site 3 out of 4 in 7pp9

Go back to Chlorine Binding Sites List in 7pp9
Chlorine binding site 3 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide


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 Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:46.9
occ:1.00
CL C:7VZ302 0.0 46.9 1.0
C10 C:7VZ302 1.8 27.8 1.0
C9 C:7VZ302 2.7 24.1 1.0
C11 C:7VZ302 2.8 24.6 1.0
O15 C:7VZ302 2.9 21.0 1.0
ND2 C:ASN62 2.9 14.0 1.0
O C:HOH498 3.2 22.4 1.0
C14 C:7VZ302 3.2 22.1 1.0
NE2 C:GLN92 3.9 17.6 1.0
C8 C:7VZ302 4.0 21.3 1.0
C12 C:7VZ302 4.1 22.1 1.0
CG C:ASN62 4.1 13.2 1.0
C7 C:7VZ302 4.5 19.5 1.0
O16 C:7VZ302 4.6 22.3 1.0
ND1 C:HIS94 4.6 8.6 1.0
OD1 C:ASN62 4.7 13.9 1.0
CD C:LYS67 4.7 17.6 1.0
C23 C:7VZ302 4.8 26.1 1.0
CG C:HIS94 4.9 8.5 1.0
CE1 C:HIS94 4.9 8.9 1.0

Chlorine binding site 4 out of 4 in 7pp9

Go back to Chlorine Binding Sites List in 7pp9
Chlorine binding site 4 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide


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 Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:50.1
occ:1.00
CL D:7VZ302 0.0 50.1 1.0
C10 D:7VZ302 1.8 28.4 1.0
C9 D:7VZ302 2.7 26.3 1.0
O15 D:7VZ302 2.8 26.2 1.0
C11 D:7VZ302 2.8 23.3 1.0
C14 D:7VZ302 3.1 22.3 1.0
ND2 D:ASN62 3.4 18.8 1.0
O D:HOH502 3.8 26.9 1.0
C8 D:7VZ302 4.0 23.3 1.0
O D:HOH463 4.1 29.3 1.0
C12 D:7VZ302 4.1 22.5 1.0
O D:HOH573 4.2 14.6 1.0
CG D:ASN62 4.4 19.2 1.0
NE2 D:GLN92 4.5 25.3 1.0
O16 D:7VZ302 4.5 21.7 1.0
C7 D:7VZ302 4.6 19.9 1.0
OD1 D:ASN62 4.8 17.9 1.0
ND1 D:HIS64 5.0 24.7 1.0

Reference:

J.Leitans, K.Tars, E.Dvinskis. Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide To Be Published.
Page generated: Tue Apr 4 21:14:34 2023

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