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Chlorine in PDB 5jug: Structure of An Inactive (E45Q) Variant of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN5

Enzymatic activity of Structure of An Inactive (E45Q) Variant of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN5

All present enzymatic activity of Structure of An Inactive (E45Q) Variant of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN5:
3.2.1.78;

Protein crystallography data

The structure of Structure of An Inactive (E45Q) Variant of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN5, PDB code: 5jug was solved by Y.Jin, M.Petricevic, E.D.Goddard-Borger, S.J.Williams, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.11 / 0.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.707, 53.841, 82.636, 90.00, 90.00, 90.00
R / Rfree (%) 12.2 / 14.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of An Inactive (E45Q) Variant of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN5 (pdb code 5jug). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of An Inactive (E45Q) Variant of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN5, PDB code: 5jug:

Chlorine binding site 1 out of 1 in 5jug

Go back to Chlorine Binding Sites List in 5jug
Chlorine binding site 1 out of 1 in the Structure of An Inactive (E45Q) Variant of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of An Inactive (E45Q) Variant of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:20.5
occ:0.80
 O A:HOH466 2.9 33.7 1.0
N A:ASN135 3.1 7.0 1.0
C A:SER133 3.3 6.4 1.0
N A:PRO134 3.4 6.4 1.0
CA A:SER133 3.5 7.5 1.0
CA A:ASN135 3.7 7.6 1.0
CB A:ASN135 3.7 9.4 1.0
CB A:SER133 3.8 8.5 1.0
O A:SER133 3.8 6.9 1.0
CD A:PRO134 3.8 7.5 1.0
C A:ASN135 3.8 8.8 1.0
C A:PRO134 4.2 6.8 1.0
N A:THR136 4.2 7.6 1.0
CA A:PRO134 4.4 6.3 1.0
O A:ASN135 4.4 16.8 1.0
CG2 A:THR136 4.4 8.3 1.0
OG A:SER133 4.5 11.8 1.0
CG A:ASN135 4.6 10.3 1.0
ND2 A:ASN135 4.6 12.4 1.0
CG A:PRO134 4.7 7.5 1.0
N A:SER133 4.8 7.2 1.0

Reference:

Y.Jin, M.Petricevic, A.John, L.Raich, H.Jenkins, L.Portela De Souza, F.Cuskin, H.J.Gilbert, C.Rovira, E.D.Goddard-Borger, S.J.Williams, G.J.Davies. A Beta-Mannanase with A Lysozyme-Like Fold and A Novel Molecular Catalytic Mechanism. Acs Cent Sci V. 2 896 2016.
ISSN: ESSN 2374-7943
PubMed: 28058278
DOI: 10.1021/ACSCENTSCI.6B00232
Page generated: Sat Dec 12 11:54:24 2020

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