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Chlorine in PDB 3umj: Crystal Structure of D311E Lipase

Enzymatic activity of Crystal Structure of D311E Lipase

All present enzymatic activity of Crystal Structure of D311E Lipase:
3.1.1.3;

Protein crystallography data

The structure of Crystal Structure of D311E Lipase, PDB code: 3umj was solved by R.Ruslan, R.N.Z.R.A.Rahman, T.C.Leow, M.S.M.Ali, M.Basri, A.B.Salleh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.17 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 117.323, 81.162, 100.140, 90.00, 96.49, 90.00
R / Rfree (%) 15.5 / 21.2

Other elements in 3umj:

The structure of Crystal Structure of D311E Lipase also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Calcium (Ca) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of D311E Lipase (pdb code 3umj). 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 D311E Lipase, PDB code: 3umj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3umj

Go back to Chlorine Binding Sites List in 3umj
Chlorine binding site 1 out of 2 in the Crystal Structure of D311E Lipase


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 D311E Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:15.9
occ:1.00
O A:HOH427 3.1 21.1 1.0
NH1 A:ARG227 3.2 7.9 1.0
O A:HOH588 3.4 18.7 1.0
O A:ARG214 3.4 10.8 1.0
N A:ARG214 3.4 13.3 1.0
NE2 A:GLN216 3.5 19.0 1.0
NH2 A:ARG227 3.6 5.4 1.0
O A:GLY212 3.8 10.5 1.0
CA A:LEU213 3.8 11.1 1.0
CZ A:ARG227 3.9 6.4 1.0
C A:LEU213 4.1 11.9 1.0
C A:ARG214 4.2 12.3 1.0
CD2 A:LEU213 4.3 12.0 1.0
CA A:ARG214 4.3 13.6 1.0
CD A:GLN216 4.5 18.8 1.0
CB A:LEU213 4.6 10.7 1.0
C A:GLY212 4.7 9.7 1.0
CB A:ARG214 4.7 13.9 1.0
N A:LEU213 4.8 10.3 1.0
CG A:GLN216 4.8 13.8 1.0
O A:HOH451 5.0 34.4 1.0
CG A:LEU213 5.0 12.3 1.0

Chlorine binding site 2 out of 2 in 3umj

Go back to Chlorine Binding Sites List in 3umj
Chlorine binding site 2 out of 2 in the Crystal Structure of D311E Lipase


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 D311E Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl903

b:20.4
occ:1.00
NH1 B:ARG227 3.2 13.1 1.0
N B:ARG214 3.3 15.0 1.0
O B:ARG214 3.4 14.7 1.0
NE2 B:GLN216 3.5 39.4 1.0
NH2 B:ARG227 3.6 13.2 1.0
CA B:LEU213 3.7 13.3 1.0
O B:GLY212 3.8 14.7 1.0
CZ B:ARG227 3.8 14.1 1.0
C B:LEU213 4.0 13.1 1.0
O B:HOH572 4.0 31.0 1.0
CD2 B:LEU213 4.2 16.6 1.0
C B:ARG214 4.3 16.5 1.0
CA B:ARG214 4.3 16.7 1.0
CB B:LEU213 4.4 12.1 1.0
CD B:GLN216 4.5 39.5 1.0
C B:GLY212 4.6 13.8 1.0
N B:LEU213 4.6 13.0 1.0
CG B:ARG214 4.8 26.5 1.0
CG B:LEU213 4.9 14.4 1.0

Reference:

R.Ruslan, R.N.Z.R.A.Rahman, T.C.Leow, M.S.M.Ali, M.Basri, A.B.Salleh. Improvement of Thermal Stability Via Outer-Loop Ion Pair Interaction of Mutated T1 Lipase From Geobacillus Zalihae Strain T1 Int J Mol Sci V. 13 943 2012.
ISSN: ESSN 1422-0067
PubMed: 22312296
DOI: 10.3390/IJMS13010943
Page generated: Sat Dec 12 10:15:19 2020

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