Zinc in PDB 3n12: Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2

All present enzymatic activity of Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2:
3.2.1.14;

The structure of Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2, PDB code: 3n12 was solved by Y.-C.Hsieh, Y.-J.Wu, W.-G.Wu, Y.-K.Li, C.-J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.47 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.753, 48.616, 66.752, 90.00, 99.31, 90.00
R / Rfree (%)	19.8 / 21.3

The binding sites of Zinc atom in the Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2 (pdb code 3n12). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2, PDB code: 3n12:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1 b:10.1 occ:0.98 O A:HOH615 1.9 12.7 1.0 O A:HOH640 2.0 12.7 1.0 CD2 A:HIS178 2.1 11.6 1.0 CG A:HIS178 3.1 11.6 1.0 NE2 A:HIS178 3.1 13.1 1.0 CB A:HIS178 3.6 11.4 1.0 O A:HOH415 3.7 17.2 1.0 O A:HOH395 3.8 13.2 1.0 CA A:HIS178 3.9 11.2 1.0 ND1 A:HIS178 4.2 12.9 1.0 CE1 A:HIS178 4.2 12.2 1.0 O A:HIS178 4.7 11.6 1.0 C A:HIS178 4.8 11.3 1.0 NE2 A:GLN129 4.9 13.6 1.0 OE1 A:GLN129 4.9 14.6 1.0 N A:HIS178 4.9 11.1 1.0

Zinc binding site 2 out of 4 in the Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2 b:27.1 occ:1.00 NE2 A:HIS257 2.1 13.0 1.0 CD2 A:HIS257 3.0 12.3 1.0 CE1 A:HIS257 3.2 13.4 1.0 CG A:HIS257 4.2 11.4 1.0 ND1 A:HIS257 4.3 12.7 1.0 O A:HOH471 4.6 19.6 1.0 O A:SER319 4.7 12.0 1.0

Zinc binding site 3 out of 4 in the Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn3 b:0.0 occ:1.00 O A:HOH566 2.9 22.5 1.0 O A:HOH554 3.4 19.7 1.0 O A:HOH591 3.5 27.3 1.0 OE2 A:GLU190 3.9 15.8 1.0 O A:HOH547 3.9 14.6 1.0 ZN A:ZN4 4.0 78.3 1.0 OE1 A:GLU145 4.1 22.1 1.0 OE1 A:GLN225 4.1 8.5 1.0 O A:HOH382 4.2 13.6 1.0 OE2 A:GLU145 4.3 22.4 1.0 CD A:GLU145 4.5 21.3 1.0 CD A:GLU190 4.7 13.1 1.0 ND2 A:ASN228 4.8 10.8 1.0 O A:ACY361 5.0 9.3 1.0 NE2 A:GLN225 5.0 8.7 1.0 CD A:GLN225 5.0 7.9 1.0

Zinc binding site 4 out of 4 in the Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Stricture of Chitinase in Complex with Zinc Atoms From Bacillus Cereus NCTU2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn4 b:78.3 occ:1.00 OE2 A:GLU190 2.0 15.8 1.0 OE1 A:GLU190 2.5 14.2 1.0 CD A:GLU190 2.6 13.1 1.0 O A:HOH566 2.8 22.5 1.0 OE1 A:GLU145 2.8 22.1 1.0 ZN A:ZN3 4.0 0.0 1.0 CD A:GLU145 4.0 21.3 1.0 O A:HOH532 4.1 26.1 1.0 CG A:GLU190 4.1 10.3 1.0 OE2 A:GLU145 4.5 22.4 1.0 O A:HOH590 4.6 22.3 1.0 O A:HOH409 4.7 11.7 1.0 O A:HOH591 4.8 27.3 1.0 O A:HOH382 4.9 13.6 1.0

Y.-C.Hsieh, Y.-J.Wu, T.-Y.Chiang, C.-Y.Kuo, K.L.Shrestha, C.-F.Chao, Y.-C.Huang, P.Chuankhayan, W.-G.Wu, Y.-K.Li, C.-J.Chen. Crystal Structures of Bacillus Cereus NCTU2 Chitinase Complexes with Chitooligomers Reveal Novel Substrate Binding For Catalysis: A Chitinase Without Chitin-Binding and Insertion Domains J.Biol.Chem. V. 285 31603 2010.
ISSN: ISSN 0021-9258
PubMed: 20685646
DOI: 10.1074/JBC.M110.149310