Chlorine in PDB 3khi: Crystal Structure of A Putative Metal-Dependent Hydrolase (YP_001336084.1) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.95 A Resolution

The structure of Crystal Structure of A Putative Metal-Dependent Hydrolase (YP_001336084.1) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.95 A Resolution, PDB code: 3khi was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.37 / 1.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	131.190, 131.190, 37.120, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.3

The structure of Crystal Structure of A Putative Metal-Dependent Hydrolase (YP_001336084.1) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.95 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Putative Metal-Dependent Hydrolase (YP_001336084.1) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.95 A Resolution (pdb code 3khi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Putative Metal-Dependent Hydrolase (YP_001336084.1) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.95 A Resolution, PDB code: 3khi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Putative Metal-Dependent Hydrolase (YP_001336084.1) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.95 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Putative Metal-Dependent Hydrolase (YP_001336084.1) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl267 b:88.2 occ:1.00 NH2 A:ARG251 3.0 66.7 1.0 O A:PHE222 3.3 25.1 1.0 O A:HOH298 3.3 36.2 1.0 NE A:ARG251 3.4 67.3 1.0 CZ A:ARG251 3.6 66.4 1.0 O A:HOH285 3.9 30.8 1.0 ND1 A:HIS31 4.1 43.3 1.0 O A:SER223 4.2 27.4 1.0 CD A:PRO225 4.2 23.6 1.0 O A:HOH312 4.3 33.9 1.0 C A:PHE222 4.3 24.1 1.0 C A:SER223 4.4 26.8 1.0 O A:HOH295 4.4 29.9 1.0 CA A:SER223 4.5 26.4 0.3 CA A:SER223 4.5 25.5 0.3 CA A:SER223 4.5 26.4 0.3 O A:VAL28 4.5 27.7 1.0 CG A:PRO225 4.6 24.6 1.0 CD A:ARG251 4.6 61.5 1.0 CG A:ARG251 4.8 58.9 1.0 CE1 A:HIS31 4.8 41.5 1.0 N A:SER223 4.8 26.1 1.0 NH1 A:ARG251 4.9 72.0 1.0 CB A:ALA141 5.0 49.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Putative Metal-Dependent Hydrolase (YP_001336084.1) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.95 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Putative Metal-Dependent Hydrolase (YP_001336084.1) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl268 b:61.9 occ:1.00 O A:HOH376 3.1 45.5 1.0 N A:LEU64 3.2 25.3 1.0 CD A:PRO63 3.6 27.2 1.0 CB A:LEU64 3.7 26.3 1.0 CB A:PRO63 3.7 28.3 1.0 N A:PRO63 3.8 28.3 1.0 CB A:THR62 3.8 29.2 1.0 CG A:PRO63 4.0 28.9 1.0 CA A:LEU64 4.0 25.0 1.0 OG1 A:THR62 4.1 27.6 1.0 C A:PRO63 4.1 26.3 1.0 CA A:PRO63 4.1 27.2 1.0 CG A:PRO19 4.2 29.9 1.0 C A:THR62 4.5 27.7 1.0 CA A:THR62 4.8 28.8 1.0 O A:HOH303 4.8 30.2 1.0 CG2 A:THR62 4.8 32.3 1.0 CD A:PRO19 4.9 32.3 1.0

Q.Xu, A.K.Gohler, A.Kosfeld, D.Carlton, H.J.Chiu, H.E.Klock, M.W.Knuth, M.D.Miller, M.A.Elsliger, A.M.Deacon, A.Godzik, S.A.Lesley, K.Jahreis, I.A.Wilson. The Structure of Mlc Titration Factor A (Mtfa/Yeei) Reveals A Prototypical Zinc Metallopeptidase Related to Anthrax Lethal Factor. J.Bacteriol. V. 194 2987 2012.
ISSN: ISSN 0021-9193
PubMed: 22467785
DOI: 10.1128/JB.00038-12