Fluorine in PDB 2nlr: Streptomyces Lividans Endoglucanase (Ec: 3.2.1.4) Complex with Modified Glucose Trimer

All present enzymatic activity of Streptomyces Lividans Endoglucanase (Ec: 3.2.1.4) Complex with Modified Glucose Trimer:
3.2.1.4;

The structure of Streptomyces Lividans Endoglucanase (Ec: 3.2.1.4) Complex with Modified Glucose Trimer, PDB code: 2nlr was solved by G.Sulzenbacher, C.Dupont, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.960, 65.960, 88.741, 90.00, 90.00, 120.00
R / Rfree (%)	11.1 / 14.2

The binding sites of Fluorine atom in the Streptomyces Lividans Endoglucanase (Ec: 3.2.1.4) Complex with Modified Glucose Trimer (pdb code 2nlr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Streptomyces Lividans Endoglucanase (Ec: 3.2.1.4) Complex with Modified Glucose Trimer, PDB code: 2nlr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Streptomyces Lividans Endoglucanase (Ec: 3.2.1.4) Complex with Modified Glucose Trimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Streptomyces Lividans Endoglucanase (Ec: 3.2.1.4) Complex with Modified Glucose Trimer within 5.0Å range: probe atom residue distance (Å) B Occ A:F603 b:11.6 occ:0.44 F2 A:SHG603 0.0 11.6 0.4 F2 A:G2F604 0.9 11.5 0.6 C2 A:G2F604 1.3 12.2 0.6 C2 A:SHG603 1.4 12.7 0.4 HD21 A:ASN155 2.2 28.2 1.0 C1 A:G2F604 2.3 11.7 0.6 C1 A:SHG603 2.4 13.5 0.4 C3 A:SHG603 2.4 11.0 0.4 C3 A:G2F604 2.6 11.8 0.6 OE1 A:GLU120 2.7 10.4 0.4 O3 A:SHG603 2.8 13.3 0.4 O1 A:SHG603 2.9 20.1 0.4 O3 A:G2F604 2.9 10.5 0.6 ND2 A:ASN155 2.9 23.5 1.0 CD1 A:ILE134 3.1 16.6 0.6 OE1 A:GLU120 3.2 10.0 0.2 OE1 A:GLU120 3.2 12.6 0.3 HD22 A:ASN155 3.2 28.2 1.0 HG23 A:VAL160 3.3 22.5 1.0 OE2 A:GLU120 3.3 11.7 0.3 OE2 A:GLU120 3.4 11.7 0.4 O5 A:G2F604 3.4 9.1 0.6 HG21 A:VAL160 3.4 22.5 1.0 CD A:GLU120 3.4 11.5 0.4 HD22 A:ASN158 3.5 23.0 1.0 CD A:GLU120 3.5 12.6 0.3 O A:HOH1213 3.5 17.8 0.6 HB3 A:ASN155 3.6 24.1 1.0 O5 A:SHG603 3.6 10.2 0.4 C4 A:G2F604 3.7 11.2 0.6 C4 A:SHG603 3.7 10.1 0.4 CG2 A:VAL160 3.8 15.0 1.0 O A:HOH1191 3.8 30.0 0.8 CG A:ASN155 3.9 18.4 1.0 CD A:GLU120 4.1 12.8 0.2 CB A:ASN155 4.1 20.1 1.0 C5 A:SHG603 4.1 9.3 0.4 C5 A:G2F604 4.2 10.3 0.6 HB2 A:ASN155 4.3 24.1 1.0 HG13 A:VAL160 4.3 24.1 1.0 ND2 A:ASN158 4.3 19.2 1.0 HG22 A:VAL160 4.4 22.5 1.0 HG12 A:VAL160 4.4 24.1 1.0 HH2 A:TRP106 4.5 12.3 1.0 OE2 A:GLU120 4.5 17.1 0.2 O A:HOH1174 4.6 25.9 1.0 CG1 A:ILE134 4.6 20.3 0.6 CG1 A:VAL160 4.7 16.0 1.0 O4 A:SHG603 4.7 9.1 0.4 OD1 A:ASN158 4.8 17.6 1.0 HD21 A:ASN158 4.8 23.0 1.0 O A:HOH1213 4.8 19.9 0.4 CG A:GLU120 4.8 12.4 0.3 O4 A:G2F604 4.9 9.1 0.6 O A:HOH1191 4.9 13.4 0.2 CG A:GLU120 4.9 11.9 0.4 CB A:VAL160 4.9 12.8 1.0 O A:HOH1036 5.0 20.3 1.0 OD1 A:ASN155 5.0 17.2 1.0

Fluorine binding site 2 out of 2 in the Streptomyces Lividans Endoglucanase (Ec: 3.2.1.4) Complex with Modified Glucose Trimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Streptomyces Lividans Endoglucanase (Ec: 3.2.1.4) Complex with Modified Glucose Trimer within 5.0Å range: probe atom residue distance (Å) B Occ A:F604 b:11.5 occ:0.56 F2 A:G2F604 0.0 11.5 0.6 F2 A:SHG603 0.9 11.6 0.4 C2 A:G2F604 1.4 12.2 0.6 C2 A:SHG603 1.9 12.7 0.4 OE1 A:GLU120 2.0 10.4 0.4 HD21 A:ASN155 2.2 28.2 1.0 C1 A:G2F604 2.4 11.7 0.6 C3 A:SHG603 2.4 11.0 0.4 C3 A:G2F604 2.4 11.8 0.6 HD22 A:ASN158 2.7 23.0 1.0 O3 A:SHG603 2.7 13.3 0.4 ND2 A:ASN155 2.7 23.5 1.0 OE1 A:GLU120 2.8 10.0 0.2 O3 A:G2F604 2.8 10.5 0.6 C1 A:SHG603 2.8 13.5 0.4 HD22 A:ASN155 2.8 28.2 1.0 CD A:GLU120 2.8 11.5 0.4 OE2 A:GLU120 2.9 11.7 0.3 OE1 A:GLU120 2.9 12.6 0.3 HG21 A:VAL160 3.0 22.5 1.0 OE2 A:GLU120 3.1 11.7 0.4 CD A:GLU120 3.1 12.6 0.3 HG23 A:VAL160 3.3 22.5 1.0 O1 A:SHG603 3.6 20.1 0.4 ND2 A:ASN158 3.6 19.2 1.0 O5 A:G2F604 3.6 9.1 0.6 CG2 A:VAL160 3.6 15.0 1.0 CD A:GLU120 3.7 12.8 0.2 C4 A:G2F604 3.7 11.2 0.6 HH2 A:TRP106 3.7 12.3 1.0 CD1 A:ILE134 3.8 16.6 0.6 CG A:ASN155 3.8 18.4 1.0 C4 A:SHG603 3.8 10.1 0.4 HB3 A:ASN155 3.9 24.1 1.0 O5 A:SHG603 4.0 10.2 0.4 HD21 A:ASN158 4.1 23.0 1.0 OD1 A:ASN158 4.1 17.6 1.0 HG22 A:VAL160 4.1 22.5 1.0 C5 A:G2F604 4.2 10.3 0.6 CG A:GLU120 4.2 12.4 0.3 CG A:GLU120 4.2 11.9 0.4 O A:HOH1191 4.3 30.0 0.8 HG12 A:VAL160 4.3 24.1 1.0 O A:HOH1213 4.3 17.8 0.6 C5 A:SHG603 4.3 9.3 0.4 OE2 A:GLU120 4.3 17.1 0.2 CB A:ASN155 4.3 20.1 1.0 CG A:ASN158 4.3 15.8 1.0 CH2 A:TRP106 4.4 10.2 1.0 HG13 A:VAL160 4.4 24.1 1.0 CB A:GLU120 4.4 12.7 0.3 CB A:GLU120 4.5 11.7 0.2 O A:HOH1036 4.5 20.3 1.0 CB A:GLU120 4.6 12.0 0.4 CG A:GLU120 4.6 12.6 0.2 HB2 A:ASN155 4.6 24.1 1.0 O4 A:SHG603 4.6 9.1 0.4 CG1 A:VAL160 4.7 16.0 1.0 O4 A:G2F604 4.7 9.1 0.6 CB A:VAL160 4.7 12.8 1.0 OD1 A:ASN155 4.8 17.2 1.0 HZ2 A:TRP106 4.8 12.5 1.0 CZ2 A:TRP106 5.0 10.4 1.0

G.Sulzenbacher, L.F.Mackenzie, K.S.Wilson, S.G.Withers, C.Dupont, G.J.Davies. The Crystal Structure of A 2-Fluorocellotriosyl Complex of the Streptomyces Lividans Endoglucanase CELB2 at 1.2 A Resolution. Biochemistry V. 38 4826 1999.
ISSN: ISSN 0006-2960
PubMed: 10200171
DOI: 10.1021/BI982648I