Atomistry » Zinc » PDB 6xty-6y77 » 6xzy
Atomistry »
  Zinc »
    PDB 6xty-6y77 »
      6xzy »

Zinc in PDB 6xzy: Crystal Structure of Human Carbonic Anhydrase I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) Benzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) Benzenesulfonamide, PDB code: 6xzy was solved by G.Zanotti, A.Majid, M.Bozdag, A.Angeli, F.Carta, P.Berto, C.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.21 / 1.66
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.513, 70.852, 121.562, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.1

Other elements in 6xzy:

The structure of Crystal Structure of Human Carbonic Anhydrase I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) Benzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) Benzenesulfonamide (pdb code 6xzy). 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 I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) Benzenesulfonamide, PDB code: 6xzy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6xzy

Go back to Zinc Binding Sites List in 6xzy
Zinc binding site 1 out of 2 in the Crystal Structure of Human Carbonic Anhydrase I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) 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 I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:19.8
occ:1.00
 N01 A:O5N302 1.8 20.6 1.0
ND1 A:HIS119 2.0 15.8 1.0
NE2 A:HIS94 2.0 19.6 1.0
NE2 A:HIS96 2.1 19.2 1.0
CE1 A:HIS119 2.9 19.4 1.0
S02 A:O5N302 2.9 26.4 1.0
CE1 A:HIS94 3.0 21.2 1.0
CD2 A:HIS96 3.0 19.4 1.0
O04 A:O5N302 3.0 28.1 1.0
CD2 A:HIS94 3.1 16.6 1.0
CG A:HIS119 3.1 16.1 1.0
CE1 A:HIS96 3.1 19.8 1.0
CB A:HIS119 3.6 17.1 1.0
C05 A:O5N302 3.8 27.9 1.0
OG1 A:THR199 4.0 20.8 1.0
NE2 A:HIS119 4.0 17.3 1.0
OE2 A:GLU106 4.1 21.2 1.0
ND1 A:HIS94 4.1 21.1 1.0
CG A:HIS94 4.2 20.0 1.0
CG A:HIS96 4.2 18.5 1.0
CD2 A:HIS119 4.2 17.1 1.0
O03 A:O5N302 4.2 24.6 1.0
ND1 A:HIS96 4.2 18.6 1.0
C06 A:O5N302 4.3 29.6 1.0
O A:HOH483 4.4 27.5 1.0
O A:HOH465 4.7 19.3 1.0
C10 A:O5N302 4.8 27.8 1.0

Zinc binding site 2 out of 2 in 6xzy

Go back to Zinc Binding Sites List in 6xzy
Zinc binding site 2 out of 2 in the Crystal Structure of Human Carbonic Anhydrase I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) 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 I in Complex with 4-(3- (2-((2-Fluorobenzyl)Amino)Ethyl)Ureido) Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:19.6
occ:1.00
 N01 B:O5N302 1.9 23.5 1.0
NE2 B:HIS94 2.0 19.4 1.0
NE2 B:HIS96 2.1 17.7 1.0
ND1 B:HIS119 2.1 19.9 1.0
CE1 B:HIS119 2.9 17.7 1.0
S02 B:O5N302 2.9 24.3 1.0
CE1 B:HIS94 3.0 22.7 1.0
O04 B:O5N302 3.0 23.7 1.0
CD2 B:HIS96 3.0 18.9 1.0
CD2 B:HIS94 3.0 17.6 1.0
CE1 B:HIS96 3.1 19.9 1.0
CG B:HIS119 3.2 19.2 1.0
CB B:HIS119 3.6 18.8 1.0
C05 B:O5N302 3.9 24.3 1.0
OG1 B:THR199 3.9 20.1 1.0
OE2 B:GLU106 4.1 21.7 1.0
NE2 B:HIS119 4.1 19.8 1.0
ND1 B:HIS94 4.1 21.2 1.0
ND1 B:HIS96 4.2 19.2 1.0
CG B:HIS94 4.2 20.0 1.0
CG B:HIS96 4.2 17.4 1.0
CD2 B:HIS119 4.2 19.4 1.0
O03 B:O5N302 4.2 25.0 1.0
C06 B:O5N302 4.3 25.4 1.0
O B:HOH439 4.4 22.4 1.0
O B:HOH502 4.6 20.1 1.0
C10 B:O5N302 4.8 29.6 1.0

Reference:

M.Ali, M.Bozdag, U.Farooq, A.Angeli, F.Carta, P.Berto, G.Zanotti, C.T.Supuran. Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-Ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci V. 21 2020.
ISSN: ESSN 1422-0067
PubMed: 32272689
DOI: 10.3390/IJMS21072560
Page generated: Tue Oct 29 11:19:26 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy