Atomistry » Zinc » PDB 5drr-5e9a » 5e2n
Atomistry »
  Zinc »
    PDB 5drr-5e9a »
      5e2n »

Zinc in PDB 5e2n: Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide, PDB code: 5e2n was solved by E.Manakova, A.Smirnov, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.18 / 1.53
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.087, 57.597, 159.749, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 21.2

Other elements in 5e2n:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide (pdb code 5e2n). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide, PDB code: 5e2n:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5e2n

Go back to Zinc Binding Sites List in 5e2n
Zinc binding site 1 out of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:11.4
occ:1.00
 N10 A:V14307 1.7 20.6 1.0
ND1 A:HIS121 2.0 12.8 1.0
NE2 A:HIS96 2.0 10.5 1.0
NE2 A:HIS98 2.0 9.8 1.0
CE1 A:HIS121 2.9 12.4 1.0
CD2 A:HIS98 3.0 12.5 1.0
S7 A:V14307 3.0 23.2 1.0
CD2 A:HIS96 3.0 9.8 1.0
O9 A:V14307 3.0 22.4 1.0
CE1 A:HIS98 3.1 10.8 1.0
CE1 A:HIS96 3.1 11.6 1.0
CG A:HIS121 3.1 10.7 1.0
F20 A:V14307 3.3 28.4 1.0
CB A:HIS121 3.5 10.3 1.0
OG1 A:THR201 3.8 12.0 1.0
C4 A:V14307 3.9 29.6 1.0
C5 A:V14307 4.0 28.9 1.0
OE1 A:GLU108 4.1 12.9 1.0
O8 A:V14307 4.1 28.2 1.0
NE2 A:HIS121 4.1 11.9 1.0
ND1 A:HIS96 4.2 12.1 1.0
CG A:HIS98 4.2 11.0 1.0
CG A:HIS96 4.2 10.1 1.0
ND1 A:HIS98 4.2 10.0 1.0
CD2 A:HIS121 4.2 11.5 1.0
CD A:GLU108 4.9 13.9 1.0
CH2 A:TRP211 4.9 10.8 1.0
CA A:HIS121 5.0 10.2 1.0

Zinc binding site 2 out of 2 in 5e2n

Go back to Zinc Binding Sites List in 5e2n
Zinc binding site 2 out of 2 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 3- (Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:13.6
occ:1.00
 N10 B:V14306 1.7 24.9 1.0
NE2 B:HIS96 2.0 14.2 1.0
NE2 B:HIS98 2.1 10.3 1.0
ND1 B:HIS121 2.1 12.1 1.0
O9 B:V14306 2.7 27.7 1.0
CD2 B:HIS98 3.0 15.0 1.0
CE1 B:HIS96 3.0 12.7 1.0
S7 B:V14306 3.0 29.2 1.0
CE1 B:HIS121 3.0 11.0 1.0
CD2 B:HIS96 3.0 11.1 1.0
CG B:HIS121 3.1 10.0 1.0
CE1 B:HIS98 3.2 14.6 1.0
F20 B:V14306 3.4 29.1 1.0
CB B:HIS121 3.5 10.1 1.0
OG1 B:THR201 3.7 12.7 1.0
C4 B:V14306 4.0 34.6 1.0
O8 B:V14306 4.0 39.0 1.0
OE1 B:GLU108 4.1 14.5 1.0
C5 B:V14306 4.1 36.5 1.0
NE2 B:HIS121 4.1 11.5 1.0
ND1 B:HIS96 4.1 11.9 1.0
CG B:HIS96 4.2 11.0 1.0
CG B:HIS98 4.2 14.1 1.0
ND1 B:HIS98 4.2 13.3 1.0
CD2 B:HIS121 4.2 10.3 1.0
CH2 B:TRP211 5.0 11.9 1.0
CB B:THR201 5.0 13.1 1.0

Reference:

A.Zubriene, A.Smirnov, V.Dudutiene, D.D.Timm, J.Matuliene, V.Michailoviene, A.Zaksauskas, E.Manakova, S.Grazulis, D.Matulis. Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. Chemmedchem V. 12 161 2017.
ISSN: ESSN 1860-7187
PubMed: 28001003
DOI: 10.1002/CMDC.201600509
Page generated: Sun Oct 27 14:58:38 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy