Zinc in PDB 3ce2: Crystal Structure of Putative Peptidase From Chlamydophila Abortus

The structure of Crystal Structure of Putative Peptidase From Chlamydophila Abortus, PDB code: 3ce2 was solved by U.A.Ramagopal, R.Toro, M.Gilmore, M.Eberle, M.Maletic, A.J.Meyer, L.Rodgers, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Researchcenter For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.94 / 2.60
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	147.775, 147.775, 143.658, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 24.6

The binding sites of Zinc atom in the Crystal Structure of Putative Peptidase From Chlamydophila Abortus (pdb code 3ce2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of Putative Peptidase From Chlamydophila Abortus, PDB code: 3ce2:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Crystal Structure of Putative Peptidase From Chlamydophila Abortus


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 Putative Peptidase From Chlamydophila Abortus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:0.8 occ:1.00 NE2 A:HIS486 2.0 79.1 1.0 O A:HOH802 2.2 52.1 1.0 NE2 A:HIS482 2.6 73.7 1.0 O A:HOH801 2.6 54.2 1.0 CE1 A:HIS482 2.6 71.1 1.0 CE1 A:HIS486 2.9 80.5 1.0 CD2 A:HIS486 3.1 77.4 1.0 CD2 A:HIS482 3.8 68.7 1.0 ND1 A:HIS482 3.8 69.2 1.0 ND1 A:HIS486 4.0 79.7 1.0 CG A:HIS486 4.1 77.5 1.0 CG A:HIS482 4.4 64.4 1.0

Zinc binding site 2 out of 6 in the Crystal Structure of Putative Peptidase From Chlamydophila Abortus


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 Putative Peptidase From Chlamydophila Abortus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn702 b:83.1 occ:1.00 NE2 A:HIS204 2.4 71.2 1.0 CD2 A:HIS204 3.0 73.0 1.0 CE1 A:HIS204 3.6 74.4 1.0 O A:HOH811 4.1 50.8 1.0 CG A:HIS204 4.3 72.5 1.0 CD2 A:LEU222 4.3 49.9 1.0 ND1 A:HIS204 4.6 74.2 1.0 OD2 A:ASP198 4.6 59.1 1.0

Zinc binding site 3 out of 6 in the Crystal Structure of Putative Peptidase From Chlamydophila Abortus


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 Putative Peptidase From Chlamydophila Abortus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn703 b:77.5 occ:1.00 NE2 A:HIS400 2.1 53.6 1.0 NE2 A:HIS404 2.2 64.1 1.0 OE2 A:GLU428 2.5 66.7 1.0 CD2 A:HIS400 3.1 52.1 1.0 CE1 A:HIS404 3.1 62.9 1.0 CE1 A:HIS400 3.1 51.9 1.0 CD2 A:HIS404 3.2 59.7 1.0 CD A:GLU428 3.5 67.8 1.0 OE1 A:GLU428 3.7 75.2 1.0 OG A:SER431 4.1 53.2 1.0 ND1 A:HIS400 4.2 52.3 1.0 CG A:HIS400 4.2 52.8 1.0 ND1 A:HIS404 4.2 60.6 1.0 CB A:SER431 4.3 44.0 1.0 CG A:HIS404 4.3 52.4 1.0 OE2 A:GLU401 4.8 41.8 1.0 CG A:GLU428 4.9 56.2 1.0

Zinc binding site 4 out of 6 in the Crystal Structure of Putative Peptidase From Chlamydophila Abortus


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 Putative Peptidase From Chlamydophila Abortus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn704 b:61.0 occ:0.60 O A:HOH828 1.9 47.4 1.0 OD2 A:ASP308 1.9 62.0 1.0 NE2 A:HIS310 2.2 44.8 1.0 CG A:ASP308 2.6 63.2 1.0 OD1 A:ASP308 2.7 63.4 1.0 CD2 A:HIS310 3.0 50.5 1.0 CE1 A:HIS310 3.2 47.6 1.0 CB A:ASP308 4.0 56.9 1.0 CG A:HIS310 4.2 52.0 1.0 ND1 A:HIS310 4.3 53.4 1.0 CG2 A:THR512 4.4 44.9 1.0 NH2 A:ARG220 4.7 45.7 1.0 CB A:THR512 4.8 53.9 1.0 OH A:TYR312 5.0 41.1 1.0

Zinc binding site 5 out of 6 in the Crystal Structure of Putative Peptidase From Chlamydophila Abortus


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 Putative Peptidase From Chlamydophila Abortus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn705 b:69.7 occ:0.50 O A:HOH827 2.3 36.4 0.5 O A:HOH825 2.3 29.1 0.5 O A:HOH826 2.4 26.6 0.5 NE2 A:HIS239 2.6 53.6 1.0 CD2 A:HIS239 3.4 39.3 1.0 CE1 A:HIS239 3.7 56.0 1.0 CG A:GLU492 3.9 62.8 1.0 OE2 A:GLU492 4.1 76.6 1.0 CD A:GLU492 4.5 73.2 1.0 NE A:ARG238 4.6 48.7 1.0 CG A:HIS239 4.6 48.0 1.0 ND1 A:HIS239 4.7 51.1 1.0 NH2 A:ARG238 4.9 46.6 1.0

Zinc binding site 6 out of 6 in the Crystal Structure of Putative Peptidase From Chlamydophila Abortus


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 Putative Peptidase From Chlamydophila Abortus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn706 b:51.0 occ:0.50 NE2 A:HIS414 2.1 49.2 1.0 CE1 A:HIS414 2.9 42.3 1.0 CD2 A:HIS414 3.0 49.8 1.0 NZ A:LYS566 3.8 45.0 1.0 ND1 A:HIS414 4.0 43.4 1.0 CG A:HIS414 4.0 50.3 1.0 CD A:LYS566 4.0 44.5 1.0 CE A:LYS566 4.5 47.5 1.0

U.A.Ramagopal, R.Toro, M.Gilmore, M.Eberle, M.Maletic, A.J.Meyer, L.Rodgers, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Putative Peptidase From Chlamydophila Abortus. To Be Published.