Zinc in PDB 3cjp: Crystal Structure of An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum

The structure of Crystal Structure of An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum, PDB code: 3cjp was solved by V.N.Malashkevich, R.Toro, U.A.Ramagopal, J.B.Bonanno, A.Meyer, J.M.Sauder, S.K.Burley, 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)	9.97 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.628, 77.273, 72.661, 90.00, 96.09, 90.00
R / Rfree (%)	18.4 / 24.1

The binding sites of Zinc atom in the Crystal Structure of An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum (pdb code 3cjp). 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 Structure of An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum, PDB code: 3cjp:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum


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 An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:22.2 occ:1.00 OE2 A:GLU121 2.0 25.9 1.0 NE2 A:HIS179 2.0 17.5 1.0 ND1 A:HIS150 2.1 21.1 1.0 O A:HOH304 2.2 9.5 1.0 CE1 A:HIS150 2.9 23.8 1.0 CD A:GLU121 3.0 27.4 1.0 CE1 A:HIS179 3.0 16.9 1.0 CD2 A:HIS179 3.0 15.8 1.0 O A:HOH426 3.2 32.5 1.0 CG A:HIS150 3.2 15.0 1.0 OE1 A:GLU121 3.3 22.1 1.0 ZN A:ZN302 3.6 24.5 1.0 CB A:HIS150 3.6 16.4 1.0 ND1 A:HIS179 4.1 14.1 1.0 NE2 A:HIS150 4.1 17.4 1.0 CA A:HIS150 4.1 18.1 1.0 CG A:HIS179 4.2 23.6 1.0 CD2 A:HIS150 4.2 17.3 1.0 CG A:GLU121 4.3 24.2 1.0 CZ3 A:TRP148 4.5 18.7 1.0 NE2 A:HIS8 4.5 18.7 1.0 O A:HOH303 4.5 37.7 1.0 OD2 A:ASP227 4.6 31.6 1.0 CH2 A:TRP148 4.8 17.3 1.0 CG2 A:VAL59 4.8 38.1 1.0 OD1 A:ASP227 5.0 20.4 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum


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 An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:24.5 occ:1.00 NE2 A:HIS10 2.1 16.8 1.0 OD1 A:ASP227 2.1 20.4 1.0 NE2 A:HIS8 2.1 18.7 1.0 O A:HOH304 2.3 9.5 1.0 OE1 A:GLU121 2.6 22.1 1.0 CE1 A:HIS8 2.9 18.4 1.0 CD2 A:HIS10 3.0 16.6 1.0 CG A:ASP227 3.0 24.6 1.0 CE1 A:HIS10 3.1 24.8 1.0 CD2 A:HIS8 3.2 16.4 1.0 OD2 A:ASP227 3.4 31.6 1.0 O A:HOH426 3.4 32.5 1.0 ZN A:ZN301 3.6 22.2 1.0 CD A:GLU121 3.6 27.4 1.0 OE2 A:GLU121 3.9 25.9 1.0 ND1 A:HIS8 4.1 20.2 1.0 CG A:HIS10 4.1 24.1 1.0 ND1 A:HIS10 4.2 24.3 1.0 CE1 A:HIS179 4.2 16.9 1.0 CG A:HIS8 4.3 18.8 1.0 CB A:ASP227 4.3 22.3 1.0 O A:HOH303 4.4 37.7 1.0 NE2 A:HIS179 4.4 17.5 1.0 CA A:ASP227 4.8 21.0 1.0 CD2 A:PHE230 4.9 27.3 1.0 CG A:GLU121 4.9 24.2 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum


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 An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:20.6 occ:1.00 OE2 B:GLU121 2.0 19.8 1.0 NE2 B:HIS179 2.1 19.5 1.0 ND1 B:HIS150 2.1 16.2 1.0 O B:HOH439 2.2 7.6 1.0 CD B:GLU121 3.0 19.0 1.0 CE1 B:HIS150 3.0 19.6 1.0 CE1 B:HIS179 3.0 17.8 1.0 CD2 B:HIS179 3.1 16.0 1.0 CG B:HIS150 3.2 18.8 1.0 OE1 B:GLU121 3.3 15.3 1.0 O B:HOH546 3.4 30.5 1.0 ZN B:ZN302 3.6 22.6 1.0 CB B:HIS150 3.6 18.2 1.0 CA B:HIS150 4.1 19.1 1.0 NE2 B:HIS150 4.1 18.0 1.0 ND1 B:HIS179 4.2 14.3 1.0 CG B:HIS179 4.2 19.2 1.0 CD2 B:HIS150 4.3 17.1 1.0 CG B:GLU121 4.3 20.2 1.0 OD2 B:ASP227 4.3 25.1 1.0 CZ3 B:TRP148 4.4 17.6 1.0 NE2 B:HIS8 4.5 16.9 1.0 O B:HOH512 4.8 29.2 1.0 CH2 B:TRP148 4.8 22.1 1.0 O A:HOH408 4.9 42.7 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum


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 An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:22.6 occ:1.00 NE2 B:HIS10 2.1 16.8 1.0 OD1 B:ASP227 2.1 22.6 1.0 NE2 B:HIS8 2.1 16.9 1.0 O B:HOH439 2.3 7.6 1.0 OE1 B:GLU121 2.7 15.3 1.0 CE1 B:HIS8 2.9 17.5 1.0 CG B:ASP227 2.9 31.0 1.0 CD2 B:HIS10 3.0 18.3 1.0 CE1 B:HIS10 3.1 24.6 1.0 OD2 B:ASP227 3.1 25.1 1.0 CD2 B:HIS8 3.2 14.4 1.0 ZN B:ZN301 3.6 20.6 1.0 CD B:GLU121 3.6 19.0 1.0 OE2 B:GLU121 3.9 19.8 1.0 O B:HOH546 3.9 30.5 1.0 ND1 B:HIS8 4.1 20.5 1.0 ND1 B:HIS10 4.2 21.7 1.0 CG B:HIS10 4.2 16.9 1.0 CG B:HIS8 4.3 24.6 1.0 CE1 B:HIS179 4.3 17.8 1.0 CB B:ASP227 4.3 21.6 1.0 O B:HOH512 4.4 29.2 1.0 NE2 B:HIS179 4.5 19.5 1.0 CA B:ASP227 4.8 20.7 1.0 CD2 B:PHE230 4.9 22.9 1.0 CG B:GLU121 4.9 20.2 1.0 CE2 B:PHE230 5.0 33.3 1.0

V.N.Malashkevich, R.Toro, U.A.Ramagopal, J.B.Bonanno, A.Meyer, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of An Uncharacterized Amidohydrolase CAC3332 From Clostridium Acetobutylicum. To Be Published.