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Chlorine in PDB 3tml: Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia

Enzymatic activity of Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia

All present enzymatic activity of Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia:
2.5.1.55;

Protein crystallography data

The structure of Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia, PDB code: 3tml 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) 43.26 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 47.380, 149.010, 151.070, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia (pdb code 3tml). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia, PDB code: 3tml:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3tml

Go back to Chlorine Binding Sites List in 3tml
Chlorine binding site 1 out of 4 in the Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia


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 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl287

b:39.1
occ:0.50
 ND2 B:ASN177 3.3 24.4 1.0
CZ D:ARG183 3.9 17.3 1.0
NH2 D:ARG183 4.0 17.2 1.0
NH1 D:ARG183 4.0 18.0 1.0
OD1 B:ASN177 4.2 23.3 1.0
CG B:ASN177 4.2 22.2 1.0
NE D:ARG183 4.4 16.2 1.0
CD1 D:ILE187 5.0 16.1 1.0

Chlorine binding site 2 out of 4 in 3tml

Go back to Chlorine Binding Sites List in 3tml
Chlorine binding site 2 out of 4 in the Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia


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 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl288

b:35.2
occ:0.50
 O B:HOH394 2.7 44.1 1.0
ND2 D:ASN177 3.6 24.2 1.0
NH1 B:ARG183 3.9 18.3 1.0
CZ B:ARG183 4.0 17.2 1.0
NH2 B:ARG183 4.2 17.4 1.0
OD1 D:ASN177 4.3 25.3 1.0
CG D:ASN177 4.4 21.9 1.0
NE B:ARG183 4.4 16.9 1.0
NE2 D:GLN216 4.8 30.0 1.0
CD1 B:ILE187 4.9 19.1 1.0
CD B:ARG183 4.9 16.8 1.0
CD2 D:LEU205 5.0 33.9 1.0

Chlorine binding site 3 out of 4 in 3tml

Go back to Chlorine Binding Sites List in 3tml
Chlorine binding site 3 out of 4 in the Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl287

b:33.3
occ:0.50
 ND2 A:ASN177 3.6 21.8 1.0
NH1 C:ARG183 4.0 18.2 1.0
CZ C:ARG183 4.0 17.0 1.0
OD1 A:ASN177 4.1 20.4 1.0
NH2 C:ARG183 4.1 17.0 1.0
CG A:ASN177 4.2 20.0 1.0
NE C:ARG183 4.5 16.2 1.0
O C:HOH353 5.0 33.2 1.0

Chlorine binding site 4 out of 4 in 3tml

Go back to Chlorine Binding Sites List in 3tml
Chlorine binding site 4 out of 4 in the Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of 2-Dehydro-3-Deoxyphosphooctonate Aldolase From Burkholderia Cenocepacia within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl288

b:33.8
occ:0.50
 ND2 C:ASN177 3.3 23.6 1.0
NH1 A:ARG183 3.9 18.8 1.0
CZ A:ARG183 3.9 17.6 1.0
CG C:ASN177 4.1 21.9 1.0
NH2 A:ARG183 4.1 17.6 1.0
OD1 C:ASN177 4.2 23.3 1.0
NE A:ARG183 4.4 17.2 1.0
CD2 C:LEU205 4.9 33.6 1.0

Reference:

L.Baugh, L.A.Gallagher, R.Patrapuvich, M.C.Clifton, A.S.Gardberg, T.E.Edwards, B.Armour, D.W.Begley, S.H.Dieterich, D.M.Dranow, J.Abendroth, J.W.Fairman, D.Fox, B.L.Staker, I.Phan, A.Gillespie, R.Choi, S.Nakazawa-Hewitt, M.T.Nguyen, A.Napuli, L.Barrett, G.W.Buchko, R.Stacy, P.J.Myler, L.J.Stewart, C.Manoil, W.C.Van Voorhis. Combining Functional and Structural Genomics to Sample the Essential Burkholderia Structome. Plos One V. 8 53851 2013.
ISSN: ESSN 1932-6203
PubMed: 23382856
DOI: 10.1371/JOURNAL.PONE.0053851
Page generated: Sun Jul 21 05:22:39 2024

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