Manganese in PDB 3vni: Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars

The structure of Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars, PDB code: 3vni was solved by H.C.Chan, Y.Zhu, Y.Hu, T.P.Ko, C.H.Huang, F.Ren, C.C.Chen, R.T.Guo, Y.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.761, 115.441, 91.627, 90.00, 105.45, 90.00
R / Rfree (%)	17.5 / 22

The binding sites of Manganese atom in the Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars (pdb code 3vni). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars, PDB code: 3vni:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn7001 b:41.3 occ:1.00 OE2 A:GLU150 2.2 30.6 1.0 OD2 A:ASP183 2.2 20.6 1.0 OE1 A:GLU244 2.4 36.1 1.0 O A:HOH7306 2.4 38.2 1.0 ND1 A:HIS209 2.6 22.9 1.0 CD A:GLU150 3.1 28.9 1.0 CD A:GLU244 3.2 33.5 1.0 OE2 A:GLU244 3.3 37.2 1.0 CG A:ASP183 3.3 20.8 1.0 OE1 A:GLU150 3.4 29.1 1.0 CG A:HIS209 3.5 21.9 1.0 CB A:HIS209 3.6 18.5 1.0 CE1 A:HIS209 3.7 23.7 1.0 CB A:ASP183 3.9 16.8 1.0 OD1 A:ASP183 4.4 20.0 1.0 NE2 A:HIS186 4.4 18.8 1.0 CD2 A:HIS186 4.5 18.2 1.0 CG A:GLU150 4.5 24.7 1.0 CG A:GLU244 4.6 31.1 1.0 O A:HOH7170 4.6 25.4 1.0 O A:HOH7174 4.7 36.4 1.0 CD2 A:HIS209 4.7 22.9 1.0 NE2 A:HIS209 4.7 19.8 1.0 NH1 A:ARG215 4.8 27.7 1.0 CB A:GLU244 4.8 23.0 1.0

Manganese binding site 2 out of 4 in the Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:37.0 occ:1.00 OE2 B:GLU150 2.0 31.5 1.0 OD2 B:ASP183 2.3 21.8 1.0 OE1 B:GLU244 2.3 37.1 1.0 ND1 B:HIS209 2.4 25.1 1.0 CD B:GLU150 3.0 33.3 1.0 CD B:GLU244 3.3 31.1 1.0 OE1 B:GLU150 3.3 32.1 1.0 CG B:ASP183 3.4 22.6 1.0 CG B:HIS209 3.4 24.3 1.0 CE1 B:HIS209 3.4 25.1 1.0 OE2 B:GLU244 3.5 35.4 1.0 CB B:HIS209 3.6 19.2 1.0 CB B:ASP183 3.9 21.6 1.0 CE B:MET181 4.3 31.0 1.0 O B:HOH473 4.3 34.4 1.0 CG B:GLU150 4.4 28.8 1.0 OD1 B:ASP183 4.4 25.3 1.0 CD2 B:HIS186 4.5 18.1 1.0 NE2 B:HIS209 4.5 24.8 1.0 CD2 B:HIS209 4.5 22.8 1.0 NE2 B:HIS186 4.6 17.6 1.0 CG B:GLU244 4.6 31.1 1.0 NH1 B:ARG215 4.8 27.3 1.0 O B:HOH615 4.8 52.7 1.0 O B:HOH499 4.9 49.2 1.0 CB B:GLU244 4.9 24.4 1.0

Manganese binding site 3 out of 4 in the Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn301 b:44.8 occ:1.00 OE2 C:GLU150 2.1 40.3 1.0 OD2 C:ASP183 2.3 21.2 1.0 OE1 C:GLU244 2.5 41.4 1.0 ND1 C:HIS209 2.5 29.5 1.0 CD C:GLU150 3.3 35.5 1.0 CD C:GLU244 3.3 37.2 1.0 CG C:ASP183 3.4 22.0 1.0 CG C:HIS209 3.4 26.5 1.0 OE2 C:GLU244 3.5 42.2 1.0 CE1 C:HIS209 3.6 29.5 1.0 CB C:HIS209 3.6 23.0 1.0 OE1 C:GLU150 3.8 35.5 1.0 CB C:ASP183 3.9 18.8 1.0 OD1 C:ASP183 4.4 26.2 1.0 CD2 C:HIS186 4.4 27.4 1.0 NE2 C:HIS186 4.4 28.3 1.0 CG C:GLU150 4.5 30.6 1.0 CE C:MET181 4.6 32.1 1.0 O C:HOH512 4.6 53.0 1.0 CG C:GLU244 4.6 35.4 1.0 CD2 C:HIS209 4.6 27.5 1.0 NE2 C:HIS209 4.7 26.4 1.0 O C:HOH482 4.8 40.3 1.0 CB C:GLU244 4.9 24.8 1.0 O C:HOH416 4.9 39.6 1.0 NH1 C:ARG215 5.0 30.8 1.0

Manganese binding site 4 out of 4 in the Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn301 b:39.2 occ:1.00 OE2 D:GLU150 2.0 30.1 1.0 OD2 D:ASP183 2.3 24.7 1.0 OE1 D:GLU244 2.4 37.0 1.0 ND1 D:HIS209 2.5 27.6 1.0 O D:HOH636 2.5 31.2 1.0 O D:HOH637 2.7 40.9 1.0 CD D:GLU150 3.0 32.5 1.0 CD D:GLU244 3.2 36.2 1.0 OE1 D:GLU150 3.3 35.0 1.0 CG D:ASP183 3.4 22.3 1.0 OE2 D:GLU244 3.5 40.8 1.0 CE1 D:HIS209 3.5 27.8 1.0 CG D:HIS209 3.5 24.9 1.0 CB D:HIS209 3.7 23.4 1.0 CB D:ASP183 3.9 19.3 1.0 CE D:MET181 4.2 31.3 1.0 CG D:GLU150 4.4 28.9 1.0 OD1 D:ASP183 4.4 24.8 1.0 NE2 D:HIS186 4.5 22.2 1.0 O D:HOH439 4.5 33.1 1.0 CD2 D:HIS186 4.5 21.3 1.0 CG D:GLU244 4.6 32.5 1.0 NE2 D:HIS209 4.6 26.6 1.0 CD2 D:HIS209 4.7 27.2 1.0 O D:HOH553 4.8 58.6 1.0 CB D:GLU244 4.8 27.2 1.0 NH1 D:ARG215 4.9 28.6 1.0 O D:HOH433 4.9 39.1 1.0

H.C.Chan, Y.Zhu, Y.Hu, T.P.Ko, C.H.Huang, F.Ren, C.C.Chen, Y.Ma, R.T.Guo, Y.Sun. Crystal Structures of D-Psicose 3-Epimerase From Clostridium Cellulolyticum H10 and Its Complex with Ketohexose Sugars. Protein Cell V. 3 123 2012.
ISSN: ISSN 1674-800X
PubMed: 22426981
DOI: 10.1007/S13238-012-2026-5