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Chlorine in PDB 4imf: Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid

Enzymatic activity of Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid

All present enzymatic activity of Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid:
4.1.3.3;

Protein crystallography data

The structure of Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid, PDB code: 4imf was solved by A.J.Fisher, N.Huynh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.92 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 81.710, 150.230, 113.090, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 20.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid (pdb code 4imf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid, PDB code: 4imf:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4imf

Go back to Chlorine Binding Sites List in 4imf
Chlorine binding site 1 out of 3 in the Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:72.6
occ:1.00
 O A:HOH429 3.3 31.7 1.0
N A:GLY168 3.4 33.7 1.0
CA A:ALA167 4.0 34.7 1.0
C A:ALA167 4.2 34.2 1.0
CA A:GLY168 4.3 33.2 1.0
CB A:ALA167 4.5 35.3 1.0
CB A:PRO139 4.6 29.5 1.0
O A:HOH493 4.8 62.6 1.0
CG A:PRO139 4.8 29.7 1.0
CB A:PHE140 4.8 32.4 1.0
CE1 A:PHE189 4.9 32.0 1.0
N A:PHE140 4.9 30.7 1.0
N A:ASP169 4.9 31.5 1.0
C A:GLY168 4.9 36.5 1.0

Chlorine binding site 2 out of 3 in 4imf

Go back to Chlorine Binding Sites List in 4imf
Chlorine binding site 2 out of 3 in the Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:74.3
occ:1.00
 ND1 A:HIS183 3.3 43.4 1.0
CE1 A:HIS183 3.5 44.6 1.0
CB A:ASN182 3.8 52.0 1.0
CA A:TYR180 3.8 43.0 1.0
N A:ASN182 3.9 48.8 1.0
ND2 A:ASN182 3.9 56.7 1.0
C A:TYR180 4.0 44.8 1.0
CD A:PRO181 4.1 46.7 1.0
N A:PRO181 4.2 46.1 1.0
CB A:TYR180 4.2 42.3 1.0
CA A:ASN182 4.3 50.4 1.0
CG A:ASN182 4.4 56.5 1.0
N A:HIS183 4.5 44.4 1.0
O A:TYR180 4.6 42.5 1.0
CG A:HIS183 4.6 42.8 1.0
C A:ASN182 4.7 48.2 1.0
O A:ALA179 4.8 41.9 1.0
CD1 A:TYR180 4.8 45.4 1.0
CG A:PRO181 4.8 49.9 1.0
NE2 A:HIS183 4.8 44.1 1.0
C A:PRO181 5.0 49.7 1.0

Chlorine binding site 3 out of 3 in 4imf

Go back to Chlorine Binding Sites List in 4imf
Chlorine binding site 3 out of 3 in the Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Pasteurella Multocida N-Acetyl-D-Neuraminic Acid Lyase K164 Mutant Complexed with N-Acetylneuraminic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:59.4
occ:1.00
 ND1 B:HIS183 3.0 37.4 1.0
N B:ASN182 3.0 42.0 1.0
C B:TYR180 3.2 36.1 1.0
CA B:TYR180 3.2 36.2 1.0
N B:PRO181 3.4 37.9 1.0
CE1 B:HIS183 3.6 37.7 1.0
CB B:ASN182 3.6 46.5 1.0
O B:TYR180 3.6 34.2 1.0
CA B:ASN182 3.7 43.5 1.0
CD B:PRO181 3.7 38.0 1.0
N B:HIS183 3.7 37.6 1.0
CB B:TYR180 3.7 34.7 1.0
C B:ASN182 4.0 41.1 1.0
ND2 B:ASN182 4.1 51.2 1.0
C B:PRO181 4.1 41.9 1.0
CG B:HIS183 4.2 36.7 1.0
CG B:ASN182 4.3 49.1 1.0
CA B:PRO181 4.3 39.4 1.0
CG B:PRO181 4.5 40.8 1.0
N B:TYR180 4.6 34.5 1.0
CB B:HIS183 4.6 36.2 1.0
CA B:HIS183 4.7 36.8 1.0
O B:ALA179 4.8 34.0 1.0
CG B:TYR180 4.8 35.5 1.0
CD1 B:TYR180 4.8 38.7 1.0
NE2 B:HIS183 4.9 37.0 1.0
O B:ASN182 4.9 43.1 1.0

Reference:

N.Huynh, A.Aye, Y.Li, H.Yu, H.Cao, V.K.Tiwari, D.W.Shin, X.Chen, A.J.Fisher. Structural Basis For Substrate Specificity and Mechanism of N-Acetyl-D-Neuraminic Acid Lyase From Pasteurella Multocida. Biochemistry V. 52 8570 2013.
ISSN: ISSN 0006-2960
PubMed: 24152047
DOI: 10.1021/BI4011754
Page generated: Sat Dec 12 10:46:21 2020

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