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Chlorine in PDB 1gyh: Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant

Enzymatic activity of Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant

All present enzymatic activity of Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant:
3.2.1.99;

Protein crystallography data

The structure of Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant, PDB code: 1gyh was solved by D.Nurizzo, J.P.Turkenburg, S.J.Charnock, S.M.Roberts, E.J.Dodson, V.A.Mckie, E.J.Taylor, H.J.Gilbert, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.89
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.556, 79.557, 132.402, 88.83, 89.58, 83.58
R / Rfree (%) 14.7 / 20.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant (pdb code 1gyh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant, PDB code: 1gyh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1gyh

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Chlorine binding site 1 out of 6 in the Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1348

b:25.7
occ:1.00
 O A:HOH2231 2.4 22.3 1.0
O A:HOH2377 2.5 21.2 1.0
O A:HOH2230 2.5 25.5 1.0
O A:HOH2132 2.5 22.1 1.0
O A:HOH2376 2.6 33.5 1.0
O A:HOH2307 2.6 20.2 1.0
NE2 A:HIS291 2.7 20.2 1.0
CD2 A:HIS291 3.2 17.7 1.0
CE1 A:HIS291 3.8 16.7 1.0
O A:PRO159 3.9 14.1 1.0
O A:PRO96 4.1 12.1 1.0
O A:ASN292 4.3 15.5 1.0
CG A:HIS291 4.5 15.7 1.0
O A:PRO223 4.6 14.2 1.0
CG1 A:VAL40 4.6 17.8 1.0
O A:ALA95 4.7 13.2 1.0
ND1 A:HIS291 4.7 16.3 1.0
O A:ALA158 4.8 14.5 1.0
CB A:ALA95 4.8 14.3 1.0
C A:ALA158 4.9 13.3 1.0
CB A:ALA158 4.9 13.2 1.0
C A:PRO159 4.9 14.5 1.0
CB A:ALA222 5.0 16.1 1.0
C A:ALA95 5.0 12.7 1.0
CA A:ALA158 5.0 12.5 1.0

Chlorine binding site 2 out of 6 in 1gyh

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Chlorine binding site 2 out of 6 in the Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1348

b:26.0
occ:1.00
 O B:HOH2173 2.4 23.3 1.0
O B:HOH2093 2.5 26.9 1.0
O B:HOH2095 2.6 23.1 1.0
O B:HOH2293 2.6 26.5 1.0
O B:HOH2294 2.6 31.2 1.0
O B:HOH2234 2.6 25.3 1.0
NE2 B:HIS291 2.8 16.2 1.0
CD2 B:HIS291 3.2 17.1 1.0
O B:PRO159 3.9 12.6 1.0
CE1 B:HIS291 4.0 17.6 1.0
O B:PRO96 4.1 14.4 1.0
O B:ASN292 4.4 16.5 1.0
CG B:HIS291 4.5 15.2 1.0
O B:PRO223 4.6 16.7 1.0
CG1 B:VAL40 4.7 16.4 1.0
O B:ALA95 4.7 12.4 1.0
CB B:ALA95 4.8 11.7 1.0
ND1 B:HIS291 4.9 14.7 1.0
O B:ALA158 4.9 14.6 1.0
C B:PRO159 4.9 13.4 1.0
C B:ALA158 4.9 14.0 1.0
C B:ALA95 4.9 12.2 1.0
CB B:ALA158 5.0 13.9 1.0
O B:ASP38 5.0 15.7 1.0

Chlorine binding site 3 out of 6 in 1gyh

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Chlorine binding site 3 out of 6 in the Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1348

b:28.7
occ:1.00
 O C:HOH2179 2.2 23.0 1.0
O C:HOH2178 2.5 23.0 1.0
O C:HOH2309 2.6 30.7 1.0
O C:HOH2092 2.6 23.9 1.0
O C:HOH2249 2.6 25.2 1.0
O C:HOH2310 2.6 39.6 1.0
NE2 C:HIS291 2.7 14.4 1.0
CD2 C:HIS291 3.2 14.6 1.0
O C:PRO159 3.8 15.3 1.0
CE1 C:HIS291 3.9 14.6 1.0
O C:PRO96 4.1 13.0 1.0
O C:ASN292 4.4 15.3 1.0
CG C:HIS291 4.5 14.5 1.0
O C:PRO223 4.6 15.2 1.0
CG1 C:VAL40 4.7 14.2 1.0
O C:ALA95 4.7 11.3 1.0
C C:PRO159 4.8 14.3 1.0
ND1 C:HIS291 4.8 13.2 1.0
O C:ALA158 4.8 14.3 1.0
C C:ALA158 4.8 13.9 1.0
CB C:ALA95 4.9 11.6 1.0
C C:ALA95 5.0 11.4 1.0
CB C:ALA158 5.0 14.7 1.0

Chlorine binding site 4 out of 6 in 1gyh

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Chlorine binding site 4 out of 6 in the Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1347

b:29.8
occ:1.00
 O D:HOH2065 2.4 28.4 1.0
O D:HOH2246 2.4 32.5 1.0
O D:HOH2066 2.5 30.9 1.0
O D:HOH2247 2.5 42.8 1.0
O D:HOH2127 2.5 27.6 1.0
O D:HOH2203 2.7 28.4 1.0
NE2 D:HIS291 2.8 17.7 1.0
CD2 D:HIS291 3.1 19.2 1.0
O D:PRO159 4.0 15.3 1.0
CE1 D:HIS291 4.0 18.6 1.0
O D:PRO96 4.2 13.6 1.0
O D:ASN292 4.4 15.1 1.0
CG D:HIS291 4.5 16.7 1.0
O D:PRO223 4.5 12.4 1.0
O D:ALA95 4.7 13.4 1.0
CG1 D:VAL40 4.7 12.7 1.0
CB D:ALA95 4.8 14.0 1.0
ND1 D:HIS291 4.8 20.3 1.0
C D:ALA95 4.9 13.7 1.0
C D:ALA158 4.9 13.8 1.0
O D:ALA158 4.9 15.2 1.0
O D:ASP38 5.0 14.7 1.0
C D:PRO159 5.0 15.3 1.0

Chlorine binding site 5 out of 6 in 1gyh

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Chlorine binding site 5 out of 6 in the Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1348

b:28.0
occ:1.00
 O E:HOH2138 2.4 24.7 1.0
O E:HOH2242 2.4 27.2 1.0
O E:HOH2139 2.5 25.7 1.0
O E:HOH2197 2.6 28.9 1.0
O E:HOH2241 2.6 38.2 1.0
O E:HOH2077 2.7 27.8 1.0
NE2 E:HIS291 2.7 17.5 1.0
CD2 E:HIS291 3.2 14.6 1.0
CE1 E:HIS291 3.9 17.4 1.0
O E:PRO159 3.9 14.7 1.0
O E:PRO96 4.2 13.7 1.0
O E:ASN292 4.4 14.7 1.0
O E:PRO223 4.4 16.1 1.0
CG E:HIS291 4.4 15.2 1.0
CG1 E:VAL40 4.7 16.4 1.0
ND1 E:HIS291 4.8 16.3 1.0
O E:ALA95 4.8 13.8 1.0
CB E:ALA158 4.8 13.8 1.0
O E:ALA158 4.9 14.0 1.0
C E:ALA158 4.9 13.9 1.0
C E:PRO159 4.9 14.5 1.0
CB E:ALA95 5.0 14.6 1.0
CB E:ALA222 5.0 15.5 1.0
CD2 E:PHE224 5.0 15.1 1.0

Chlorine binding site 6 out of 6 in 1gyh

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Chlorine binding site 6 out of 6 in the Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of D158A Cellvibrio Cellulosa Alpha-L-Arabinanase Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1347

b:39.6
occ:1.00
 O F:HOH2075 2.3 34.0 1.0
O F:HOH2074 2.4 39.2 1.0
O F:HOH2150 2.5 43.4 1.0
O F:HOH2151 2.6 40.3 1.0
O F:HOH2035 2.6 34.0 1.0
O F:HOH2034 2.7 41.5 1.0
NE2 F:HIS291 2.9 17.8 1.0
CD2 F:HIS291 3.2 18.1 1.0
O F:PRO159 3.8 12.4 1.0
CE1 F:HIS291 4.1 20.5 1.0
O F:PRO96 4.2 15.6 1.0
O F:ASN292 4.3 15.4 1.0
O F:PRO223 4.5 15.2 1.0
CG F:HIS291 4.5 17.1 1.0
CB F:ALA95 4.6 16.7 1.0
O F:ALA95 4.8 15.2 1.0
O F:ALA158 4.9 14.3 1.0
C F:ALA158 4.9 13.8 1.0
CB F:ALA158 4.9 13.4 1.0
C F:PRO159 4.9 13.7 1.0
CB F:ALA222 4.9 16.2 1.0
ND1 F:HIS291 4.9 18.8 1.0
CA F:ALA158 4.9 14.1 1.0
CD2 F:PHE224 5.0 17.3 1.0

Reference:

D.Nurizzo, J.P.Turkenburg, S.J.Charnock, S.M.Roberts, E.J.Dodson, V.A.Mckie, E.J.Taylor, H.J.Gilbert, G.J.Davies. Cellovibrio Cellulosa Alpha-L-Arabinanase 43A Has A Novel Five-Blade Beta-Propeller Fold Nat.Struct.Biol. V. 9 665 2002.
ISSN: ISSN 1072-8368
PubMed: 12198486
DOI: 10.1038/NSB835
Page generated: Sat Dec 12 08:36:35 2020

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