Zinc in PDB 2q6e: Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn

The structure of Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn, PDB code: 2q6e was solved by A.A.Fedorov, E.V.Fedorov, Y.Patskovsky, R.Toro, J.M.Sauder, S.K.Burley, F.M.Rauschel, S.C.Almo, New York Sgx Research Center For Structuralgenomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.99 / 2.40
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	133.372, 133.372, 196.821, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 24.6

The structure of Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Zinc atom in the Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn (pdb code 2q6e). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn, PDB code: 2q6e:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn


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 Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:45.8 occ:1.00 OD1 A:ASP355 2.1 42.5 1.0 O A:HOH555 2.2 30.1 1.0 NE2 A:HIS28 2.2 41.5 1.0 NE2 A:HIS26 2.2 31.2 1.0 CG A:ASP355 2.9 41.8 1.0 OD2 A:ASP355 3.1 45.1 1.0 CD2 A:HIS28 3.1 41.6 1.0 CE1 A:HIS26 3.2 32.2 1.0 CE1 A:HIS28 3.2 40.5 1.0 CD2 A:HIS26 3.2 32.5 1.0 CE A:MET258 4.1 45.5 1.0 ND1 A:HIS28 4.2 41.9 1.0 CG A:HIS28 4.2 42.3 1.0 NE1 A:TRP325 4.3 32.6 1.0 ND1 A:HIS26 4.3 33.2 1.0 CB A:ASP355 4.3 40.1 1.0 CG A:HIS26 4.3 31.5 1.0 CA A:ASP355 4.7 39.0 1.0 SD A:MET258 4.9 42.0 1.0 CD1 A:TRP325 5.0 31.3 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn


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 Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn502 b:43.6 occ:1.00 NE2 B:HIS28 2.2 37.3 1.0 OD1 B:ASP355 2.2 34.5 1.0 O B:HOH603 2.2 13.5 1.0 NE2 B:HIS26 2.2 27.9 1.0 CG B:ASP355 3.0 35.4 1.0 CD2 B:HIS28 3.1 37.4 1.0 CE1 B:HIS28 3.1 36.7 1.0 CE1 B:HIS26 3.1 26.4 1.0 OD2 B:ASP355 3.2 38.8 1.0 CD2 B:HIS26 3.2 25.9 1.0 CE B:MET258 4.1 36.4 1.0 ND1 B:HIS28 4.2 37.4 1.0 CG B:HIS28 4.2 38.1 1.0 ND1 B:HIS26 4.2 28.1 1.0 NE1 B:TRP325 4.3 26.3 1.0 CG B:HIS26 4.3 26.9 1.0 CB B:ASP355 4.4 33.1 1.0 CA B:ASP355 4.8 31.7 1.0 O B:HOH587 4.8 40.7 1.0 O B:HOH533 4.9 46.0 1.0 SD B:MET258 4.9 33.6 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn503 b:60.5 occ:1.00 O C:HOH546 2.1 41.5 1.0 NE2 C:HIS26 2.1 42.3 1.0 NE2 C:HIS28 2.2 52.3 1.0 OD1 C:ASP355 2.3 47.5 1.0 CE1 C:HIS26 3.0 42.6 1.0 CG C:ASP355 3.1 49.3 1.0 CE1 C:HIS28 3.1 50.4 1.0 CD2 C:HIS28 3.2 51.2 1.0 CD2 C:HIS26 3.2 43.2 1.0 OD2 C:ASP355 3.2 51.0 1.0 CE C:MET258 3.9 51.1 1.0 ND1 C:HIS26 4.2 42.5 1.0 ND1 C:HIS28 4.2 51.2 1.0 CG C:HIS28 4.3 50.7 1.0 CG C:HIS26 4.3 42.1 1.0 NE1 C:TRP325 4.3 42.0 1.0 CB C:ASP355 4.4 48.2 1.0 SD C:MET258 4.8 48.3 1.0 CA C:ASP355 4.8 48.1 1.0 OG1 C:THR143 5.0 44.0 1.0

A.A.Fedorov, E.V.Fedorov, Y.Patskovsky, R.Toro, J.M.Sauder, S.K.Burley, F.M.Raushel, S.C.Almo. Crystal Structure of Glucuronate Isomerase From Bacillus Halodurans Complexed with Zn. To Be Published.