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Chlorine in PDB 4jbg: 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum

Enzymatic activity of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum

All present enzymatic activity of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum:
1.1.1.1;

Protein crystallography data

The structure of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum, PDB code: 4jbg was solved by S.Lovell, K.P.Battaile, A.Vitale, N.Throne, X.Hu, M.Shen, S.D'auria, D.S.Auld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.99 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 68.509, 126.450, 84.055, 90.00, 108.49, 90.00
R / Rfree (%) 15.2 / 17.4

Other elements in 4jbg:

The structure of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum (pdb code 4jbg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum, PDB code: 4jbg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4jbg

Go back to Chlorine Binding Sites List in 4jbg
Chlorine binding site 1 out of 3 in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:25.3
occ:1.00
 O B:HOH540 3.2 23.6 1.0
N B:ASN175 3.2 17.4 1.0
NH2 B:ARG323 3.3 28.2 1.0
CG B:ASN175 3.5 24.3 1.0
NH1 B:ARG323 3.6 28.5 1.0
CD B:PRO40 3.7 20.9 1.0
CA B:GLY174 3.7 21.6 1.0
ND2 B:ASN175 3.7 24.0 1.0
OD1 B:ASN175 3.8 22.2 1.0
CG B:PRO40 3.8 19.4 1.0
CZ B:ARG323 3.9 26.6 1.0
CB B:ASN175 4.0 16.6 1.0
C B:GLY174 4.0 21.4 1.0
CA B:ASN175 4.2 15.2 1.0
CD2 B:LEU318 4.3 37.4 1.0
O B:HOH578 4.7 37.9 1.0
O B:HOH516 4.8 22.5 1.0

Chlorine binding site 2 out of 3 in 4jbg

Go back to Chlorine Binding Sites List in 4jbg
Chlorine binding site 2 out of 3 in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:24.7
occ:1.00
 O C:HOH515 3.2 21.2 1.0
N C:ASN175 3.2 17.5 1.0
NH2 C:ARG323 3.3 25.7 1.0
NH1 C:ARG323 3.4 29.4 1.0
CG C:ASN175 3.6 20.9 1.0
CD C:PRO40 3.7 23.7 1.0
CA C:GLY174 3.7 18.4 1.0
CG C:PRO40 3.7 24.6 1.0
CZ C:ARG323 3.8 27.0 1.0
OD1 C:ASN175 3.8 22.3 1.0
ND2 C:ASN175 3.8 23.2 1.0
C C:GLY174 3.9 19.3 1.0
CB C:ASN175 4.0 19.1 1.0
CA C:ASN175 4.2 17.1 1.0
CD1 C:LEU318 4.5 34.6 1.0
O C:HOH607 4.7 34.0 1.0
O C:HOH507 4.7 20.9 1.0
N C:PRO40 5.0 18.1 1.0

Chlorine binding site 3 out of 3 in 4jbg

Go back to Chlorine Binding Sites List in 4jbg
Chlorine binding site 3 out of 3 in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:29.1
occ:1.00
 O D:HOH519 3.1 25.9 1.0
NH2 D:ARG323 3.1 34.8 1.0
N D:ASN175 3.2 20.6 1.0
NH1 D:ARG323 3.5 30.3 1.0
CD D:PRO40 3.6 23.9 1.0
CG D:ASN175 3.7 27.8 1.0
CA D:GLY174 3.7 22.4 1.0
CG D:PRO40 3.7 25.2 1.0
CZ D:ARG323 3.7 42.2 1.0
ND2 D:ASN175 3.8 27.6 1.0
OD1 D:ASN175 3.9 28.0 1.0
C D:GLY174 4.0 20.5 1.0
CB D:ASN175 4.0 20.6 1.0
CA D:ASN175 4.2 22.8 1.0
CD2 D:LEU318 4.5 33.6 1.0
O D:HOH514 4.7 25.6 1.0
O D:HOH617 4.9 40.9 1.0

Reference:

A.Vitale, N.Thorne, S.Lovell, K.P.Battaile, X.Hu, M.Shen, S.D'auria, D.S.Auld. Physicochemical Characterization of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum. Plos One V. 8 63828 2013.
ISSN: ESSN 1932-6203
PubMed: 23755111
DOI: 10.1371/JOURNAL.PONE.0063828
Page generated: Sat Dec 12 10:47:51 2020

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