Chlorine in PDB 7osk: Ignisphaera Aggregans GH53 Catalytic Domain

Enzymatic activity of Ignisphaera Aggregans GH53 Catalytic Domain

All present enzymatic activity of Ignisphaera Aggregans GH53 Catalytic Domain:
3.2.1.89;

Protein crystallography data

The structure of Ignisphaera Aggregans GH53 Catalytic Domain, PDB code: 7osk was solved by F.Fredslund, L.Lo Leggio, J.C.Poulsen, K.K.Rasmussen, S.Muderspach, K.B.R.M.Krogh, K.Jensen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.41 / 2.65
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 117.985, 65.304, 94.825, 90, 90, 90
R / Rfree (%) 21.2 / 26.3

Other elements in 7osk:

The structure of Ignisphaera Aggregans GH53 Catalytic Domain also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ignisphaera Aggregans GH53 Catalytic Domain (pdb code 7osk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ignisphaera Aggregans GH53 Catalytic Domain, PDB code: 7osk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7osk

Go back to Chlorine Binding Sites List in 7osk
Chlorine binding site 1 out of 2 in the Ignisphaera Aggregans GH53 Catalytic Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ignisphaera Aggregans GH53 Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:31.8
occ:1.00
HB A:THR207 2.7 31.8 1.0
HA A:ASN205 3.0 31.6 1.0
HB3 A:ASN205 3.0 31.9 1.0
HG3 A:GLN208 3.0 29.4 1.0
H A:GLN208 3.0 31.1 1.0
H A:THR207 3.2 30.6 1.0
HD22 A:ASN205 3.5 40.7 1.0
CB A:THR207 3.5 26.5 1.0
CA A:ASN205 3.6 26.3 1.0
CB A:ASN205 3.7 26.6 1.0
C A:ASN205 3.7 25.4 1.0
N A:THR207 3.8 25.5 1.0
N A:GLN208 3.8 25.9 1.0
OG1 A:THR207 3.8 27.1 1.0
HG1 A:THR207 3.9 32.5 1.0
CG A:GLN208 3.9 24.5 1.0
HB2 A:GLN208 4.1 28.9 1.0
O A:ASN205 4.1 25.6 1.0
CA A:THR207 4.1 28.2 1.0
N A:TRP206 4.1 23.2 1.0
H A:TRP206 4.2 27.9 1.0
ND2 A:ASN205 4.2 34.0 1.0
HB2 A:ASN205 4.4 31.9 1.0
CB A:GLN208 4.4 24.0 1.0
C A:THR207 4.5 24.6 1.0
HG2 A:GLN208 4.5 29.4 1.0
CG A:ASN205 4.5 29.0 1.0
CD A:GLN208 4.6 25.5 1.0
CG2 A:THR207 4.7 25.2 1.0
CA A:GLN208 4.8 24.7 1.0
HG21 A:THR207 4.8 30.2 1.0
C A:TRP206 4.8 21.8 1.0
HG22 A:THR207 4.9 30.2 1.0
N A:ASN205 4.9 25.6 1.0
OE1 A:GLN208 5.0 22.6 1.0
HD21 A:ASN205 5.0 40.7 1.0

Chlorine binding site 2 out of 2 in 7osk

Go back to Chlorine Binding Sites List in 7osk
Chlorine binding site 2 out of 2 in the Ignisphaera Aggregans GH53 Catalytic Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ignisphaera Aggregans GH53 Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:29.0
occ:1.00
HB3 B:ASN205 2.9 29.0 1.0
HA B:ASN205 3.0 30.5 1.0
HG3 B:GLN208 3.2 29.6 1.0
CB B:ASN205 3.6 24.2 1.0
CA B:ASN205 3.6 25.4 1.0
H B:GLN208 3.6 27.9 1.0
OG1 B:THR207 3.7 25.7 1.0
HB2 B:GLN208 3.7 26.9 1.0
HG1 B:THR207 3.8 30.9 1.0
CG B:GLN208 3.9 24.6 1.0
C B:ASN205 4.0 24.6 1.0
CD B:GLN208 4.0 25.9 1.0
OD1 B:ASN205 4.1 27.6 1.0
CG B:ASN205 4.1 23.7 1.0
H B:THR207 4.2 28.1 1.0
CB B:GLN208 4.3 22.4 1.0
O B:ASN205 4.3 25.7 1.0
NE2 B:GLN208 4.3 25.2 1.0
N B:GLN208 4.4 23.3 1.0
OE1 B:GLN208 4.4 27.9 1.0
HB2 B:ASN205 4.4 29.0 1.0
HE21 B:GLN208 4.4 30.3 1.0
H B:TRP206 4.5 28.0 1.0
N B:TRP206 4.5 23.3 1.0
N B:THR207 4.7 23.4 1.0
HE22 B:GLN208 4.7 30.3 1.0
HG2 B:GLN208 4.8 29.6 1.0
CB B:THR207 4.9 23.5 1.0
N B:ASN205 5.0 25.5 1.0
CA B:GLN208 5.0 22.4 1.0

Reference:

S.J.Muderspach, F.Fredslund, V.Volf, J.N.Poulsen, T.H.Blicher, M.H.Clausen, K.K.Rasmussen, K.B.R.M.Krogh, K.Jensen, L.Lo Leggio. Engineering the Substrate Binding Site of the Hyperthermostable Archaeal Endo-Beta-1,4-Galactanase From Ignisphaera Aggregans. Biotechnol Biofuels V. 14 183 2021.
ISSN: ESSN 1754-6834
PubMed: 34530892
DOI: 10.1186/S13068-021-02025-6
Page generated: Fri Nov 5 12:36:47 2021

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