Manganese in PDB 3u95: Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana

The structure of Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana, PDB code: 3u95 was solved by N.C.Ha, S.Y.Jun, B.Y.Yun, B.Y.Yoon, S.Piao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.90 / 2.00
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	154.532, 154.532, 139.065, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 22.2

The binding sites of Manganese atom in the Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana (pdb code 3u95). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana, PDB code: 3u95:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in the Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn601 b:55.1 occ:1.00 NE2 A:HIS210 2.3 30.8 1.0 O A:HOH1014 2.7 31.8 1.0 SG A:CYS181 2.8 46.9 1.0 CE1 A:HIS210 3.2 25.3 1.0 CD2 A:HIS210 3.4 28.6 1.0 CB A:CYS181 3.4 37.9 1.0 O A:HOH1849 3.4 36.6 1.0 OD2 A:ASP267 3.8 37.5 1.0 O A:HOH1179 3.8 31.0 1.0 CA A:CYS181 4.2 33.7 1.0 ND1 A:HIS210 4.4 26.9 1.0 CG A:HIS210 4.5 23.2 1.0 ND2 A:ASN209 4.6 28.6 1.0 N A:HIS182 4.6 45.7 1.0 CG A:ASP267 4.8 30.1 1.0 C A:CYS181 4.9 37.1 1.0 ND2 A:ASN160 4.9 22.3 1.0 OD1 A:ASN160 5.0 22.3 1.0

Manganese binding site 2 out of 6 in the Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn602 b:48.2 occ:1.00 NE2 B:HIS210 2.1 26.9 1.0 SG B:CYS181 2.6 40.3 1.0 O B:HOH1396 2.8 43.3 1.0 CD2 B:HIS210 3.0 24.3 1.0 CE1 B:HIS210 3.1 27.4 1.0 CB B:CYS181 3.4 33.6 1.0 OD2 B:ASP267 3.8 32.9 1.0 O B:HOH622 4.0 34.0 1.0 CA B:CYS181 4.2 35.1 1.0 CG B:HIS210 4.2 25.9 1.0 ND1 B:HIS210 4.2 28.8 1.0 N B:HIS182 4.4 42.4 1.0 OD1 B:ASN209 4.5 24.0 1.0 O B:HOH2288 4.6 43.5 1.0 O B:HOH2480 4.7 49.7 1.0 CG B:ASP267 4.8 25.1 1.0 C B:CYS181 4.8 39.6 1.0 O B:HOH2284 4.8 36.4 1.0 OD1 B:ASN160 4.9 23.4 1.0 ND2 B:ASN160 4.9 25.4 1.0 ND2 B:ASN209 5.0 21.1 1.0

Manganese binding site 3 out of 6 in the Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn500 b:51.1 occ:1.00 NE2 C:HIS210 2.1 32.9 1.0 O C:HOH1574 2.4 35.4 1.0 SG C:CYS181 2.7 45.9 1.0 O C:HOH1567 2.7 45.6 1.0 O C:HOH2182 2.8 46.2 1.0 CE1 C:HIS210 3.1 25.8 1.0 CD2 C:HIS210 3.2 27.4 1.0 O C:HOH1592 3.2 42.2 1.0 CB C:CYS181 3.2 35.1 1.0 OD2 C:ASP267 3.7 37.7 1.0 O C:HOH1674 3.9 35.8 1.0 CA C:CYS181 4.1 38.0 1.0 ND1 C:HIS210 4.2 28.7 1.0 CG C:HIS210 4.3 27.9 1.0 N C:HIS182 4.4 41.0 1.0 OD1 C:ASN209 4.6 27.0 1.0 C C:CYS181 4.8 39.4 1.0 CG C:ASP267 4.9 27.2 1.0 OD1 C:ASN160 5.0 23.6 1.0

Manganese binding site 4 out of 6 in the Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn600 b:58.2 occ:1.00 NE2 D:HIS210 2.3 28.8 1.0 O D:HOH1377 2.5 34.2 1.0 SG D:CYS181 2.9 46.5 1.0 CE1 D:HIS210 3.2 23.7 1.0 CD2 D:HIS210 3.3 24.7 1.0 CB D:CYS181 3.3 31.3 1.0 O D:HOH726 3.8 33.6 1.0 OD2 D:ASP267 3.9 37.2 1.0 CA D:CYS181 4.2 32.8 1.0 ND1 D:HIS210 4.3 28.7 1.0 CG D:HIS210 4.4 23.7 1.0 ND2 D:ASN209 4.6 23.0 1.0 N D:HIS182 4.7 38.3 1.0 OD1 D:ASN160 4.8 21.8 1.0 ND2 D:ASN160 4.8 22.6 1.0 C D:CYS181 4.9 36.2 1.0 CG D:ASP267 5.0 30.2 1.0

Manganese binding site 5 out of 6 in the Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn600 b:51.2 occ:1.00 NE2 E:HIS210 2.3 27.4 1.0 O E:HOH1092 2.4 29.9 1.0 SG E:CYS181 2.7 43.9 1.0 O E:HOH1575 3.0 36.8 1.0 CE1 E:HIS210 3.1 26.0 1.0 CD2 E:HIS210 3.3 26.8 1.0 CB E:CYS181 3.5 33.3 1.0 O E:HOH575 3.7 32.8 1.0 OD2 E:ASP267 3.9 37.4 1.0 ND1 E:HIS210 4.3 25.4 1.0 CA E:CYS181 4.3 36.6 1.0 CG E:HIS210 4.4 24.9 1.0 ND2 E:ASN209 4.5 25.4 1.0 ND2 E:ASN160 4.7 21.1 1.0 OD1 E:ASN160 4.8 21.7 1.0 N E:HIS182 4.8 39.6 1.0 CG E:ASP267 5.0 27.9 1.0

Manganese binding site 6 out of 6 in the Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of A Putative Alpha-Glucosidase From Thermotoga Neapolitana within 5.0Å range: probe atom residue distance (Å) B Occ F:Mn600 b:52.6 occ:1.00 NE2 F:HIS210 2.3 30.9 1.0 SG F:CYS181 2.6 44.5 1.0 CB F:CYS181 3.1 40.5 1.0 CD2 F:HIS210 3.2 28.9 1.0 CE1 F:HIS210 3.3 27.3 1.0 OD2 F:ASP267 3.5 39.4 1.0 O F:HOH900 4.0 35.5 1.0 CA F:CYS181 4.0 36.2 1.0 O F:HOH1763 4.2 45.1 1.0 O F:HOH1487 4.3 47.6 1.0 CG F:HIS210 4.4 25.8 1.0 N F:HIS182 4.4 43.9 1.0 ND1 F:HIS210 4.4 27.4 1.0 C F:CYS181 4.6 38.8 1.0 OD1 F:ASN209 4.7 29.3 1.0 CG F:ASP267 4.7 28.1 1.0

B.Y.Yun, S.Y.Jun, N.A.Kim, B.Y.Yoon, S.Piao, S.H.Park, S.H.Jeong, H.Lee, N.C.Ha. Crystal Structure and Thermostability of A Putative Alpha-Glucosidase From Thermotoga Neapolitana Biochem.Biophys.Res.Commun. V. 416 92 2011.
ISSN: ISSN 0006-291X
PubMed: 22093829
DOI: 10.1016/J.BBRC.2011.11.002