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Chlorine in PDB 2xfg: Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules

Enzymatic activity of Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules

All present enzymatic activity of Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules:
3.2.1.4;

Protein crystallography data

The structure of Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules, PDB code: 2xfg was solved by S.Petkun, R.Lamed, S.Jindou, T.Burstein, O.Yaniv, Y.Shoham, J.W.L.Shimon, E.A.Bayer, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.868 / 1.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.399, 88.541, 106.486, 90.00, 90.00, 90.00
R / Rfree (%) 14.14 / 17.59

Other elements in 2xfg:

The structure of Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules (pdb code 2xfg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules, PDB code: 2xfg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2xfg

Go back to Chlorine Binding Sites List in 2xfg
Chlorine binding site 1 out of 3 in the Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1448

b:24.4
occ:1.00
 HZ1 A:LYS441 2.4 48.6 1.0
H A:ALA84 2.7 21.1 0.6
HB3 A:ASP83 2.8 27.9 0.6
H A:ALA84 2.8 21.1 0.4
HD2 A:LYS441 2.8 35.2 1.0
HA A:TYR81 2.8 23.1 1.0
HB2 A:ASP83 2.9 29.4 0.4
HD1 A:TYR81 3.1 23.6 1.0
NZ A:LYS441 3.2 40.5 1.0
O A:HOH2696 3.3 32.0 1.0
H A:ASP83 3.3 24.6 0.4
HE3 A:LYS441 3.3 43.5 1.0
O A:HOH2196 3.3 28.7 1.0
H A:ASP83 3.3 24.1 0.6
HB1 A:ALA84 3.4 25.0 1.0
N A:ALA84 3.4 17.6 1.0
O A:HOH2187 3.5 43.3 1.0
CE A:LYS441 3.5 36.3 1.0
CD A:LYS441 3.6 29.4 1.0
CA A:TYR81 3.6 19.3 1.0
HB3 A:TYR81 3.6 20.9 1.0
HZ3 A:LYS441 3.6 48.6 1.0
CB A:ASP83 3.6 23.3 0.6
C A:TYR81 3.8 18.9 1.0
HZ2 A:LYS441 3.8 48.6 1.0
CB A:ASP83 3.8 24.5 0.4
N A:ASP83 3.8 20.5 0.4
N A:ASP83 3.8 20.1 0.6
O A:TYR81 4.0 15.7 1.0
HB2 A:ASP83 4.0 27.9 0.6
CD1 A:TYR81 4.0 19.7 1.0
CA A:ASP83 4.0 21.0 0.6
CB A:TYR81 4.0 17.5 1.0
CA A:ASP83 4.1 21.4 0.4
CB A:ALA84 4.1 20.9 1.0
C A:ASP83 4.1 21.5 0.4
C A:ASP83 4.1 21.8 0.6
O A:HOH2686 4.1 78.2 1.0
HB3 A:ALA84 4.1 25.0 1.0
CA A:ALA84 4.2 18.1 1.0
HD3 A:LYS441 4.2 35.2 1.0
N A:GLU82 4.3 17.7 1.0
HG3 A:LYS441 4.3 27.7 1.0
HB3 A:ASP83 4.3 29.4 0.4
HB2 A:LYS441 4.4 24.0 1.0
H A:GLU82 4.4 21.2 1.0
HE2 A:LYS441 4.5 43.5 1.0
CG A:LYS441 4.5 23.1 1.0
O A:GLU80 4.5 16.2 1.0
HA A:ALA84 4.5 21.7 1.0
CG A:TYR81 4.5 19.1 1.0
OD2 A:ASP83 4.7 42.4 0.4
OD2 A:ASP83 4.7 26.6 0.6
CG A:ASP83 4.7 33.3 0.4
CG A:ASP83 4.7 23.9 0.6
C A:GLU82 4.8 18.9 1.0
N A:TYR81 4.8 15.0 1.0
HB2 A:ALA84 4.9 25.0 1.0
HB2 A:TYR81 4.9 20.9 1.0

Chlorine binding site 2 out of 3 in 2xfg

Go back to Chlorine Binding Sites List in 2xfg
Chlorine binding site 2 out of 3 in the Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1449

b:27.9
occ:1.00
 HE21 A:GLN11 2.3 22.5 1.0
HE2 A:HIS93 2.8 23.2 1.0
NE2 A:GLN11 3.1 18.8 1.0
O B:HOH2042 3.1 20.3 1.0
HA B:PRO451 3.1 28.6 1.0
O B:HOH2034 3.2 33.4 0.8
OE1 A:GLN90 3.3 22.8 1.0
HD2 A:HIS93 3.4 19.3 1.0
NE2 A:HIS93 3.4 19.4 1.0
HE22 A:GLN11 3.5 22.5 1.0
HG3 A:GLN11 3.5 16.7 1.0
O B:HOH2038 3.6 45.7 1.0
O A:HOH2214 3.6 28.7 0.8
HE22 A:GLN90 3.6 14.6 1.0
CD2 A:HIS93 3.7 16.1 1.0
HH11 A:ARG31 4.0 20.5 1.0
CA B:PRO451 4.1 23.9 1.0
CD A:GLN11 4.1 17.1 1.0
HH12 A:ARG31 4.2 20.5 1.0
CD A:GLN90 4.2 17.2 1.0
HB3 B:PRO451 4.2 30.3 1.0
CG A:GLN11 4.2 13.9 1.0
NE2 A:GLN90 4.2 12.2 1.0
O A:GLY89 4.3 17.2 1.0
NH1 A:ARG31 4.4 17.1 1.0
O B:PRO451 4.4 27.6 1.0
HG2 B:PRO449 4.6 17.8 1.0
CB B:PRO451 4.6 25.2 1.0
CE1 A:HIS93 4.7 23.4 1.0
HB3 B:PHE453 4.7 19.8 1.0
C B:PRO451 4.7 24.2 1.0
HG2 A:GLN11 4.7 16.7 1.0
HB2 B:PRO451 4.8 30.3 1.0
O B:ASP450 4.8 20.4 1.0
HD2 B:PHE453 4.8 18.3 1.0

Chlorine binding site 3 out of 3 in 2xfg

Go back to Chlorine Binding Sites List in 2xfg
Chlorine binding site 3 out of 3 in the Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Separately Expressed GH9 and CBM3C Modules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1450

b:20.5
occ:1.00
 H A:SER208 2.4 19.7 1.0
HD21 A:ASN207 2.5 21.0 1.0
HA A:ASN207 3.1 16.8 1.0
N A:SER208 3.2 16.5 1.0
O A:HOH2387 3.2 27.3 1.0
HB3 A:ASN207 3.2 19.6 1.0
O A:HOH2386 3.2 23.9 1.0
HD2 A:TYR199 3.3 21.8 1.0
ND2 A:ASN207 3.3 17.6 1.0
HB3 A:SER208 3.5 18.3 1.0
O A:HOH2401 3.6 32.6 0.9
CA A:ASN207 3.7 14.0 1.0
CB A:ASN207 3.8 16.4 1.0
HD22 A:ASN207 3.9 21.0 1.0
HE2 A:TYR199 3.9 15.8 1.0
C A:ASN207 3.9 14.9 1.0
O A:SER208 4.0 18.5 1.0
CG A:ASN207 4.0 17.9 1.0
CD2 A:TYR199 4.1 18.2 1.0
CA A:SER208 4.1 15.5 1.0
CB A:SER208 4.1 15.3 1.0
HB2 A:SER208 4.3 18.3 1.0
CE2 A:TYR199 4.4 13.2 1.0
O A:TYR199 4.4 16.7 1.0
C A:SER208 4.5 14.5 1.0
HB3 A:ASP196 4.6 22.8 1.0
HB2 A:ASN207 4.7 19.6 1.0
HB3 A:TYR199 4.9 16.8 1.0
O A:HOH2380 4.9 39.7 1.0
O A:HOH2392 5.0 15.9 0.9
HA A:SER208 5.0 18.5 1.0
O A:HOH2169 5.0 21.7 1.0
O A:HOH2167 5.0 34.1 1.0

Reference:

S.Petkun, I.R.Grinberg, R.Lamed, S.Jindou, T.Burstein, O.Yaniv, Y.Shoham, J.W.L.Shimon, E.A.Bayer, F.Frolow. Reassembly and Co-Crystallization of A Family 9 Processive Endoglucanase From Its Component Parts: Structural and Functional Significance of Intermodular Linker Peerj V. 3 E1126 2015.
ISSN: ISSN 2167-8359
PubMed: 26401442
DOI: 10.7717/PEERJ.1126
Page generated: Sat Jul 20 13:49:29 2024

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