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Chlorine in PDB 3ijp: Crystal Structure of Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A Resolution

Enzymatic activity of Crystal Structure of Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A Resolution

All present enzymatic activity of Crystal Structure of Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A Resolution:
1.3.1.26;

Protein crystallography data

The structure of Crystal Structure of Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A Resolution, PDB code: 3ijp was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.30
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 109.380, 109.380, 176.950, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 20.8

Other elements in 3ijp:

The structure of Crystal Structure of Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A Resolution also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A Resolution (pdb code 3ijp). 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 Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A Resolution, PDB code: 3ijp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3ijp

Go back to Chlorine Binding Sites List in 3ijp
Chlorine binding site 1 out of 2 in the Crystal Structure of Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A 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 Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:17.0
occ:1.00
NZ A:LYS158 3.0 15.1 1.0
O A:HOH374 3.1 16.2 1.0
O A:HOH314 3.2 16.5 1.0
O A:HOH349 3.2 15.3 1.0
NE2 A:HIS155 3.5 20.2 1.0
UNK A:UNX269 3.6 29.0 1.0
CD A:LYS158 3.7 16.9 1.0
C6N A:NAP300 3.7 14.7 1.0
CE A:LYS158 3.8 15.6 1.0
C2D A:NAP300 4.0 13.5 1.0
O2D A:NAP300 4.0 11.8 1.0
CG A:LYS158 4.2 17.9 1.0
C5N A:NAP300 4.2 12.1 1.0
CD2 A:HIS155 4.3 18.2 1.0
CD2 A:HIS154 4.3 11.2 1.0
N1N A:NAP300 4.5 12.1 1.0
CE1 A:HIS155 4.6 17.6 1.0
O1N A:NAP300 4.7 15.5 1.0
UNK A:UNX268 4.7 25.5 1.0
CB A:LYS158 4.8 19.9 1.0
C1D A:NAP300 4.8 12.3 1.0
O A:ILE212 4.9 13.6 1.0
NE2 A:HIS154 5.0 8.9 1.0

Chlorine binding site 2 out of 2 in 3ijp

Go back to Chlorine Binding Sites List in 3ijp
Chlorine binding site 2 out of 2 in the Crystal Structure of Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A 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 Dihydrodipicolinate Reductase From Bartonella Henselae at 2.0A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:23.6
occ:1.00
O B:HOH416 3.1 43.1 1.0
N B:ARG34 3.3 17.7 1.0
N B:ASN9 3.4 24.9 1.0
CA B:VAL33 3.6 15.9 1.0
CB B:VAL33 3.7 15.9 1.0
CB B:ASN9 3.7 27.1 1.0
N B:ALA8 3.7 20.9 1.0
C B:GLY7 3.7 20.4 1.0
C B:VAL33 3.9 16.6 1.0
CA B:GLY7 3.9 19.2 1.0
CA B:ASN9 4.0 26.7 1.0
CG1 B:VAL33 4.0 15.1 1.0
N B:GLY10 4.1 29.2 1.0
O B:HOH362 4.2 35.2 1.0
O B:GLY7 4.2 19.9 1.0
C B:ASN9 4.2 27.8 1.0
CB B:ARG34 4.3 19.8 1.0
CA B:ARG34 4.4 19.5 1.0
C B:ALA8 4.5 23.3 1.0
CA B:ALA8 4.6 22.0 1.0
O B:HOH488 4.7 30.4 1.0
O B:HOH525 4.7 32.8 1.0
O B:LEU32 4.7 16.9 1.0
N B:GLY7 4.8 18.3 1.0
N B:VAL33 4.8 16.0 1.0
O B:HOH306 4.9 17.7 1.0
CG B:ASN9 5.0 27.9 1.0

Reference:

A.R.Cala, M.T.Nadeau, J.Abendroth, B.L.Staker, A.R.Reers, A.W.Weatherhead, R.C.Dobson, P.J.Myler, A.O.Hudson. The Crystal Structure of Dihydrodipicolinate Reductase From the Human-Pathogenic Bacterium Bartonella Henselae Strain Houston-1 at 2.3 Angstrom Resolution. Acta Crystallogr F Struct V. 72 885 2016BIOL Commun.
ISSN: ISSN 2053-230X
PubMed: 27917836
DOI: 10.1107/S2053230X16018525
Page generated: Sat Dec 12 09:48:11 2020

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