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Fluorine in PDB 1qh6: Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase

Enzymatic activity of Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase

All present enzymatic activity of Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase:
3.2.1.8;

Protein crystallography data

The structure of Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase, PDB code: 1qh6 was solved by E.Sabini, G.Sulzenbacher, M.Dauter, Z.Dauter, P.L.Jorgensen, M.Schulein, C.Dupont, G.J.Davies, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.910, 74.830, 78.350, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 18.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase (pdb code 1qh6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase, PDB code: 1qh6:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 1qh6

Go back to Fluorine Binding Sites List in 1qh6
Fluorine binding site 1 out of 2 in the Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:9.9
occ:1.00
 F2A A:FXP1001 0.0 9.9 1.0
C2A A:FXP1001 1.4 9.2 1.0
C3A A:FXP1001 2.4 7.7 1.0
C1A A:FXP1001 2.4 8.8 1.0
OE2 A:GLU94 2.7 10.0 1.0
O3A A:FXP1001 2.8 9.3 1.0
OE1 A:GLU94 2.8 8.8 1.0
NE A:ARG129 2.9 11.7 1.0
CD A:GLU94 3.0 10.4 1.0
NE2 A:GLN143 3.3 8.1 1.0
CZ A:PHE141 3.4 12.9 1.0
CE2 A:PHE141 3.4 6.3 1.0
CG A:ARG129 3.6 11.2 1.0
O5A A:FXP1001 3.7 11.4 1.0
CZ A:ARG129 3.7 13.2 1.0
CD A:ARG129 3.7 10.4 1.0
C4A A:FXP1001 3.7 7.2 1.0
NH2 A:ARG129 3.8 7.7 1.0
O A:HOH1171 4.0 34.5 1.0
C5A A:FXP1001 4.1 8.8 1.0
O A:HOH1023 4.2 11.2 1.0
CD A:GLN143 4.2 9.8 1.0
CG A:GLU94 4.4 10.7 1.0
O4A A:FXP1001 4.4 7.4 1.0
CG A:GLN143 4.5 6.7 1.0
CB A:ARG129 4.5 11.8 1.0
O A:PRO133 4.7 8.4 1.0
CE1 A:PHE141 4.7 11.0 1.0
CB A:GLU94 4.7 6.4 1.0
CD2 A:PHE141 4.7 8.0 1.0
CH2 A:TRP87 4.8 10.5 1.0
NH1 A:ARG129 4.8 14.1 1.0
OH A:TYR96 4.9 8.6 1.0
O A:HOH1063 5.0 19.3 1.0

Fluorine binding site 2 out of 2 in 1qh6

Go back to Fluorine Binding Sites List in 1qh6
Fluorine binding site 2 out of 2 in the Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Catalysis and Specificity in Enzymatic Glycoside Hydrolases: A 2,5B Conformation For the Glycosyl-Enzyme Intermidiate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1001

b:10.1
occ:1.00
 F2A B:FXP1001 0.0 10.1 1.0
C2A B:FXP1001 1.4 12.9 1.0
C3A B:FXP1001 2.4 12.1 1.0
C1A B:FXP1001 2.4 11.7 1.0
NE B:ARG129 2.7 28.5 1.0
O3A B:FXP1001 2.8 11.2 1.0
OE2 B:GLU94 2.9 12.0 1.0
OE1 B:GLU94 2.9 8.4 1.0
CD B:GLU94 3.2 10.8 1.0
CZ B:PHE141 3.2 15.3 1.0
NH2 B:ARG129 3.3 28.3 1.0
CE2 B:PHE141 3.3 15.6 1.0
CZ B:ARG129 3.3 31.9 1.0
NE2 B:GLN143 3.5 14.9 1.0
O5A B:FXP1001 3.6 11.4 1.0
CD B:ARG129 3.6 25.4 1.0
C4A B:FXP1001 3.7 10.2 1.0
CG B:ARG129 3.8 19.3 1.0
O B:HOH1178 3.9 38.9 1.0
C5A B:FXP1001 4.0 10.4 1.0
O B:HOH1029 4.1 16.2 1.0
O4A B:FXP1001 4.5 9.2 1.0
CD B:GLN143 4.5 13.4 1.0
CG B:GLU94 4.5 8.9 1.0
CE1 B:PHE141 4.6 13.6 1.0
NH1 B:ARG129 4.6 38.4 1.0
O B:PRO133 4.7 12.2 1.0
CD2 B:PHE141 4.7 14.1 1.0
O B:HOH1109 4.7 29.6 1.0
CB B:ARG129 4.7 17.4 1.0
CB B:GLU94 4.8 10.2 1.0
CG B:GLN143 4.8 12.0 1.0

Reference:

E.Sabini, G.Sulzenbacher, M.Dauter, Z.Dauter, P.L.Jorgensen, M.Schulein, C.Dupont, G.J.Davies, K.S.Wilson. Catalysis and Specificity in Enzymatic Glycoside Hydrolysis: A 2,5B Conformation For the Glycosyl-Enzyme Intermediate Revealed By the Structure of the Bacillus Agaradhaerens Family 11 Xylanase. Chem.Biol. V. 6 483 1999.
ISSN: ISSN 1074-5521
PubMed: 10381409
DOI: 10.1016/S1074-5521(99)80066-0
Page generated: Wed Jul 31 12:32:11 2024

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