Chlorine in PDB 6eqe: High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis

Enzymatic activity of High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis

All present enzymatic activity of High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis:
3.1.1.101;

Protein crystallography data

The structure of High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis, PDB code: 6eqe was solved by H.P.Austin, M.D.Allen, C.W.Johnson, G.T.Beckham, J.E.Mcgeehan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.51 / 0.92
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.114, 51.388, 84.545, 90.00, 90.00, 90.00
R / Rfree (%) 10 / 11

Other elements in 6eqe:

The structure of High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis (pdb code 6eqe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis, PDB code: 6eqe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6eqe

Go back to Chlorine Binding Sites List in 6eqe
Chlorine binding site 1 out of 2 in the High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:6.7
occ:1.00
 H A:TYR87 2.4 6.8 1.0
H A:MET161 2.4 6.3 1.0
HG A:SER160 2.6 7.0 1.0
HG3 A:MET161 2.6 8.2 1.0
HB2 A:TYR87 2.8 7.3 1.0
HB3 A:SER160 2.9 6.4 1.0
OG A:SER160 3.0 5.8 1.0
O A:HOH486 3.1 12.6 1.0
HB2 A:MET161 3.2 7.0 1.0
N A:TYR87 3.3 5.7 1.0
N A:MET161 3.3 5.3 1.0
HB3 A:TYR87 3.3 7.3 1.0
CG A:MET161 3.4 6.8 1.0
CB A:SER160 3.4 5.3 1.0
CB A:TYR87 3.5 6.1 1.0
CB A:MET161 3.7 5.8 1.0
HA3 A:GLY86 3.7 6.9 1.0
HE3 A:MET161 3.8 11.9 1.0
HA2 A:GLY86 3.9 6.9 1.0
CA A:TYR87 4.0 5.7 1.0
CA A:MET161 4.1 5.4 1.0
SD A:MET161 4.1 7.7 1.0
CA A:GLY86 4.1 5.8 1.0
HB2 A:SER160 4.2 6.4 1.0
HG2 A:MET161 4.2 8.2 1.0
C A:SER160 4.2 5.0 1.0
C A:GLY86 4.2 5.3 1.0
CA A:SER160 4.4 4.9 1.0
O A:HOH527 4.4 8.7 0.5
CE A:MET161 4.4 9.9 1.0
HA A:MET161 4.5 6.5 1.0
HB3 A:MET161 4.6 7.0 1.0
HA A:TYR87 4.7 6.9 1.0
CG A:TYR87 4.7 6.4 1.0
HB3 A:TRP185 4.7 9.9 1.0
HA A:SER160 4.8 5.9 1.0
HG21 A:ILE208 4.9 9.8 1.0
NE2 A:HIS237 4.9 6.3 1.0
O A:TYR87 4.9 5.8 1.0
H A:GLY162 4.9 6.0 1.0
HE2 A:MET161 5.0 11.9 1.0

Chlorine binding site 2 out of 2 in 6eqe

Go back to Chlorine Binding Sites List in 6eqe
Chlorine binding site 2 out of 2 in the High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution Crystal Structure of A Polyethylene Terephthalate Degrading Hydrolase From Ideonella Sakaiensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:10.8
occ:1.00
 HG A:SER207 2.3 16.2 0.4
H A:SER207 2.4 10.0 0.4
H A:SER207 2.4 10.0 0.6
H A:HIS237 2.4 7.3 1.0
HB2 A:HIS237 2.9 7.5 1.0
O A:HOH773 3.1 21.3 0.4
O A:HOH646 3.1 25.4 0.7
HA A:ASP206 3.1 8.1 1.0
HB2 A:SER236 3.1 10.7 1.0
OG A:SER207 3.2 13.5 0.4
N A:SER207 3.2 8.3 1.0
N A:HIS237 3.2 6.1 1.0
HG12 A:ILE208 3.3 10.7 1.0
HB3 A:SER207 3.5 12.2 0.6
HB3 A:HIS237 3.5 7.5 1.0
HA A:SER236 3.5 8.1 1.0
CB A:HIS237 3.6 6.2 1.0
H A:ILE208 3.7 8.9 1.0
HB2 A:SER207 3.7 12.2 0.6
CB A:SER207 3.9 10.2 0.6
CB A:SER236 3.9 8.9 1.0
CA A:ASP206 4.0 6.8 1.0
CB A:SER207 4.0 12.2 0.4
HB3 A:SER207 4.0 14.6 0.4
CA A:SER236 4.0 6.7 1.0
O A:ASN205 4.0 9.9 1.0
CA A:SER207 4.0 9.1 0.6
CA A:HIS237 4.0 5.8 1.0
CA A:SER207 4.1 9.8 0.4
C A:ASP206 4.1 7.5 1.0
C A:SER236 4.1 6.1 1.0
N A:ILE208 4.2 7.4 1.0
CG1 A:ILE208 4.3 8.9 1.0
OD1 A:ASP206 4.3 6.5 1.0
O A:HOH567 4.4 14.5 0.5
HA A:HIS237 4.5 7.0 1.0
HB3 A:SER236 4.5 10.7 1.0
C A:SER207 4.5 8.7 1.0
HG13 A:ILE208 4.6 10.7 1.0
HD11 A:ILE208 4.7 12.2 1.0
C A:ASN205 4.8 7.9 1.0
N A:ASP206 4.8 6.9 1.0
OG A:SER236 4.8 11.6 1.0
HB2 A:SER207 4.9 14.6 0.4
CG A:ASP206 4.9 6.0 1.0
CG A:HIS237 4.9 6.1 1.0
HD13 A:ILE208 4.9 12.2 1.0
HA A:SER207 4.9 11.0 0.6
CD1 A:ILE208 4.9 10.2 1.0
HA A:SER207 4.9 11.8 0.4
HB A:ILE208 4.9 9.4 1.0

Reference:

H.P.Austin, M.D.Allen, B.S.Donohoe, N.A.Rorrer, F.L.Kearns, R.L.Silveira, B.C.Pollard, G.Dominick, R.Duman, K.El Omari, V.Mykhaylyk, A.Wagner, W.E.Michener, A.Amore, M.S.Skaf, M.F.Crowley, A.W.Thorne, C.W.Johnson, H.L.Woodcock, J.E.Mcgeehan, G.T.Beckham. Characterization and Engineering of A Plastic-Degrading Aromatic Polyesterase. Proc. Natl. Acad. Sci. V. 115 E4350 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29666242
DOI: 10.1073/PNAS.1718804115
Page generated: Sat Dec 12 12:56:02 2020

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