Zinc in PDB 2q08: Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn

The structure of Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn, PDB code: 2q08 was solved by A.A.Fedorov, E.V.Fedorov, Y.Patskovsky, J.M.Sauder, S.K.Burley, F.Raushel, S.C.Almo, New York Sgx Research Center For Structural Genomics(Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.93 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	121.274, 120.967, 126.241, 78.82, 78.67, 80.42
R / Rfree (%)	22.6 / 23.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn (pdb code 2q08). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 16 binding sites of Zinc where determined in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn, PDB code: 2q08:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 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 the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn981 b:62.4 occ:1.00 O A:HOH1082 2.0 47.6 1.0 OD1 A:ASP355 2.3 42.4 1.0 NE2 A:HIS26 2.3 34.0 1.0 NE2 A:HIS28 2.5 36.9 1.0 CG A:ASP355 3.0 38.2 1.0 OD2 A:ASP355 3.1 42.2 1.0 CD2 A:HIS28 3.2 35.3 1.0 CD2 A:HIS26 3.3 34.2 1.0 CE1 A:HIS26 3.3 32.4 1.0 CE1 A:HIS28 3.6 35.6 1.0 CE A:MET258 4.1 41.0 1.0 NE1 A:TRP325 4.1 31.3 1.0 ND1 A:HIS26 4.4 34.5 1.0 CB A:ASP355 4.4 35.0 1.0 CG A:HIS28 4.4 36.0 1.0 CG A:HIS26 4.4 32.3 1.0 SD A:MET258 4.5 39.0 1.0 ND1 A:HIS28 4.6 36.0 1.0 CA A:ASP355 4.8 31.9 1.0 CD1 A:TRP325 4.8 32.9 1.0 OG1 A:THR143 5.0 32.4 1.0

Zinc binding site 2 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 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 the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn993 b:51.3 occ:1.00 O B:HOH1044 2.0 19.5 1.0 O A:HOH1083 2.1 19.4 1.0 O A:HOH1084 2.1 17.7 1.0 O B:HOH1039 2.1 17.7 1.0 O C:HOH1047 2.2 20.6 1.0 O C:HOH1067 2.3 20.1 1.0 OE2 A:GLU332 3.7 23.0 1.0 OE2 C:GLU332 3.7 22.0 1.0 OE2 B:GLU332 3.8 19.6 1.0 O A:HOH1006 4.1 15.7 1.0 O C:HOH1010 4.2 22.2 1.0 O B:HOH1022 4.3 22.5 1.0 OE2 A:GLU336 4.3 20.2 1.0 OE2 C:GLU336 4.3 18.3 1.0 OE2 B:GLU336 4.3 18.4 1.0 CD A:GLU332 4.7 21.8 1.0 CD C:GLU332 4.8 19.7 1.0 CB C:GLU336 4.9 17.1 1.0 CD B:GLU332 5.0 20.2 1.0 CB A:GLU336 5.0 17.6 1.0

Zinc binding site 3 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 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 the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn982 b:51.2 occ:1.00 NE2 B:HIS26 2.3 27.7 1.0 O B:HOH1103 2.3 45.3 1.0 OD1 B:ASP355 2.4 35.6 1.0 NE2 B:HIS28 2.4 33.5 1.0 CG B:ASP355 3.1 29.9 1.0 OD2 B:ASP355 3.1 34.6 1.0 CD2 B:HIS28 3.2 31.1 1.0 CE1 B:HIS26 3.2 27.4 1.0 CD2 B:HIS26 3.2 26.7 1.0 CE1 B:HIS28 3.5 32.0 1.0 CE B:MET258 4.1 36.3 1.0 NE1 B:TRP325 4.2 29.1 1.0 ND1 B:HIS26 4.3 29.3 1.0 CG B:HIS28 4.4 30.4 1.0 CG B:HIS26 4.4 25.4 1.0 CB B:ASP355 4.5 25.5 1.0 ND1 B:HIS28 4.5 31.9 1.0 SD B:MET258 4.5 32.4 1.0 CA B:ASP355 4.8 23.4 1.0 CD1 B:TRP325 4.9 28.3 1.0 OG1 B:THR143 4.9 21.5 1.0 O B:HOH1065 4.9 29.5 1.0

Zinc binding site 4 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn983 b:67.0 occ:1.00 O C:HOH1066 2.1 54.2 1.0 OD1 C:ASP355 2.3 40.0 1.0 NE2 C:HIS26 2.4 31.5 1.0 NE2 C:HIS28 2.5 34.0 1.0 CG C:ASP355 3.0 35.6 1.0 OD2 C:ASP355 3.0 38.6 1.0 CD2 C:HIS28 3.2 31.8 1.0 CD2 C:HIS26 3.3 30.9 1.0 CE1 C:HIS26 3.3 32.0 1.0 CE1 C:HIS28 3.6 33.9 1.0 NE1 C:TRP325 4.1 32.5 1.0 CE C:MET258 4.1 36.1 1.0 CB C:ASP355 4.4 32.7 1.0 ND1 C:HIS26 4.4 32.1 1.0 CG C:HIS26 4.4 29.4 1.0 CG C:HIS28 4.5 33.3 1.0 SD C:MET258 4.5 34.2 1.0 ND1 C:HIS28 4.6 33.8 1.0 CD1 C:TRP325 4.8 31.2 1.0 CA C:ASP355 4.8 29.0 1.0 O C:HOH1059 5.0 42.7 1.0

Zinc binding site 5 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn984 b:63.3 occ:1.00 O D:HOH1071 2.3 47.2 1.0 OD1 D:ASP355 2.4 39.9 1.0 NE2 D:HIS28 2.4 38.6 1.0 NE2 D:HIS26 2.5 34.6 1.0 CG D:ASP355 3.1 37.6 1.0 CD2 D:HIS28 3.1 36.8 1.0 OD2 D:ASP355 3.2 39.5 1.0 CE1 D:HIS26 3.4 33.5 1.0 CE1 D:HIS28 3.5 37.4 1.0 CD2 D:HIS26 3.5 34.5 1.0 CE D:MET258 4.2 40.7 1.0 NE1 D:TRP325 4.2 36.9 1.0 CG D:HIS28 4.3 37.7 1.0 ND1 D:HIS28 4.5 38.8 1.0 CB D:ASP355 4.5 34.9 1.0 ND1 D:HIS26 4.5 34.9 1.0 SD D:MET258 4.6 40.3 1.0 CG D:HIS26 4.6 32.9 1.0 CD1 D:TRP325 4.9 36.0 1.0 CA D:ASP355 4.9 32.3 1.0

Zinc binding site 6 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn994 b:55.2 occ:1.00 O D:HOH1014 2.0 21.7 1.0 O E:HOH998 2.0 16.0 1.0 O F:HOH1036 2.1 20.4 1.0 O F:HOH1024 2.1 21.1 1.0 O E:HOH1029 2.2 20.7 1.0 O D:HOH1000 2.2 14.9 1.0 OE2 E:GLU332 3.7 22.3 1.0 OE2 D:GLU332 3.7 22.8 1.0 OE2 F:GLU332 3.9 21.3 1.0 O D:HOH1002 4.0 17.6 1.0 O E:HOH1006 4.2 21.6 1.0 OE2 D:GLU336 4.2 22.3 1.0 O F:HOH1033 4.2 21.6 1.0 OE2 E:GLU336 4.3 22.4 1.0 OE2 F:GLU336 4.4 21.8 1.0 CD E:GLU332 4.8 22.1 1.0 CD D:GLU332 4.8 22.0 1.0 CB D:GLU336 4.9 18.1 1.0 CD F:GLU332 5.0 18.6 1.0 CB F:GLU336 5.0 18.2 1.0

Zinc binding site 7 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn985 b:70.2 occ:1.00 O E:HOH1058 2.3 51.7 1.0 NE2 E:HIS26 2.3 31.5 1.0 OD1 E:ASP355 2.4 43.2 1.0 NE2 E:HIS28 2.4 38.3 1.0 CG E:ASP355 3.1 38.1 1.0 CD2 E:HIS28 3.2 36.2 1.0 OD2 E:ASP355 3.2 42.7 1.0 CE1 E:HIS26 3.3 30.2 1.0 CD2 E:HIS26 3.3 30.9 1.0 CE1 E:HIS28 3.5 37.8 1.0 CE E:MET258 4.0 37.8 1.0 NE1 E:TRP325 4.2 33.9 1.0 ND1 E:HIS26 4.4 32.1 1.0 CG E:HIS28 4.4 36.4 1.0 CG E:HIS26 4.4 29.9 1.0 SD E:MET258 4.5 37.5 1.0 ND1 E:HIS28 4.5 36.1 1.0 CB E:ASP355 4.5 34.0 1.0 CD1 E:TRP325 4.9 34.1 1.0 CA E:ASP355 4.9 28.9 1.0 OG1 E:THR143 4.9 30.4 1.0

Zinc binding site 8 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn986 b:64.9 occ:1.00 O F:HOH1068 2.2 45.4 1.0 NE2 F:HIS26 2.3 35.7 1.0 OD1 F:ASP355 2.4 40.6 1.0 NE2 F:HIS28 2.4 35.4 1.0 CD2 F:HIS28 3.1 33.0 1.0 CG F:ASP355 3.1 35.3 1.0 OD2 F:ASP355 3.2 36.7 1.0 CE1 F:HIS26 3.2 34.9 1.0 CD2 F:HIS26 3.3 34.2 1.0 CE1 F:HIS28 3.5 34.4 1.0 CE F:MET258 4.1 41.4 1.0 NE1 F:TRP325 4.2 33.7 1.0 CG F:HIS28 4.3 33.2 1.0 ND1 F:HIS26 4.4 36.5 1.0 CG F:HIS26 4.4 34.2 1.0 ND1 F:HIS28 4.4 34.1 1.0 CB F:ASP355 4.5 33.0 1.0 SD F:MET258 4.5 38.5 1.0 CA F:ASP355 4.9 30.7 1.0 OG1 F:THR143 4.9 32.8 1.0 CD1 F:TRP325 4.9 33.4 1.0

Zinc binding site 9 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn987 b:58.4 occ:1.00 NE2 G:HIS26 2.2 34.4 1.0 O G:HOH1066 2.3 33.6 1.0 OD1 G:ASP355 2.4 40.1 1.0 NE2 G:HIS28 2.5 39.9 1.0 CE1 G:HIS26 3.1 32.9 1.0 CG G:ASP355 3.1 36.1 1.0 CD2 G:HIS26 3.2 33.0 1.0 CD2 G:HIS28 3.2 37.0 1.0 OD2 G:ASP355 3.2 39.2 1.0 CE1 G:HIS28 3.5 38.0 1.0 CE G:MET258 4.0 36.7 1.0 ND1 G:HIS26 4.2 34.0 1.0 NE1 G:TRP325 4.2 33.7 1.0 CG G:HIS26 4.3 32.5 1.0 CG G:HIS28 4.4 37.5 1.0 SD G:MET258 4.4 34.0 1.0 ND1 G:HIS28 4.5 39.1 1.0 CB G:ASP355 4.5 33.0 1.0 OG1 G:THR143 4.8 29.2 1.0 CA G:ASP355 4.9 30.8 1.0 CD1 G:TRP325 4.9 33.3 1.0 O G:HOH1062 5.0 33.5 1.0

Zinc binding site 10 out of 16 in the Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of the Protein BH0493 From Bacillus Halodurans C-125 Complexed with Zn within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn988 b:60.4 occ:1.00 O H:HOH1068 2.1 50.4 1.0 OD1 H:ASP355 2.3 40.1 1.0 NE2 H:HIS26 2.3 35.2 1.0 NE2 H:HIS28 2.5 37.9 1.0 CG H:ASP355 3.0 36.8 1.0 OD2 H:ASP355 3.0 41.3 1.0 CD2 H:HIS28 3.2 36.0 1.0 CD2 H:HIS26 3.2 35.3 1.0 CE1 H:HIS26 3.3 34.5 1.0 CE1 H:HIS28 3.6 37.0 1.0 NE1 H:TRP325 4.1 32.8 1.0 CE H:MET258 4.1 39.4 1.0 ND1 H:HIS26 4.4 35.6 1.0 CG H:HIS26 4.4 33.2 1.0 CB H:ASP355 4.4 34.1 1.0 CG H:HIS28 4.4 35.7 1.0 SD H:MET258 4.5 38.1 1.0 ND1 H:HIS28 4.6 37.6 1.0 CD1 H:TRP325 4.8 31.6 1.0 CA H:ASP355 4.8 30.9 1.0

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