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Chlorine in PDB 2x1d: The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum

Enzymatic activity of The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum

All present enzymatic activity of The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum:
2.3.1.164;

Protein crystallography data

The structure of The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum, PDB code: 2x1d was solved by M.Bokhove, H.Yoshida, C.M.H.Hensgens, J.M.Van Der Laan, J.D.Sutherland, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.10 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 198.711, 68.219, 146.964, 90.00, 128.64, 90.00
R / Rfree (%) 17.944 / 20.703

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum (pdb code 2x1d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum, PDB code: 2x1d:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2x1d

Go back to Chlorine Binding Sites List in 2x1d
Chlorine binding site 1 out of 5 in the The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1358

b:69.2
occ:1.00
 CD1 A:LEU47 4.0 38.3 1.0
CB A:LEU47 4.1 35.1 1.0
OD1 A:ASP44 4.5 47.6 1.0
CG2 A:VAL33 4.5 34.0 1.0
CG1 A:VAL33 4.5 36.3 1.0
CG A:LEU47 4.7 37.1 1.0
SD A:MET85 4.8 30.3 1.0
CD1 A:LEU51 4.9 29.5 1.0
O A:ASP44 4.9 42.6 1.0
CG2 A:ILE36 4.9 39.6 1.0
CG A:ASP44 5.0 47.0 1.0

Chlorine binding site 2 out of 5 in 2x1d

Go back to Chlorine Binding Sites List in 2x1d
Chlorine binding site 2 out of 5 in the The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1359

b:56.1
occ:1.00
 CD2 B:PHE222 3.7 23.9 1.0
CD B:GLU220 3.7 30.2 1.0
OE1 B:GLU220 3.8 31.9 1.0
CG B:GLU220 3.9 25.9 1.0
O B:ALA221 4.0 20.7 1.0
CB B:PHE222 4.1 20.8 1.0
C B:ALA221 4.1 19.8 1.0
CB B:PRO194 4.1 20.7 1.0
CB B:GLU220 4.2 24.3 1.0
OE2 B:GLU220 4.2 29.9 1.0
N B:SER195 4.2 22.2 0.5
N B:SER195 4.3 22.5 0.5
N B:PHE222 4.3 19.4 1.0
CG B:PHE222 4.3 22.8 1.0
C B:PRO194 4.4 20.9 1.0
CA B:SER195 4.4 23.1 0.5
N B:ALA221 4.4 20.9 1.0
CA B:SER195 4.5 22.6 0.5
CA B:ALA221 4.6 20.0 1.0
CB B:SER195 4.7 24.3 0.5
CE2 B:PHE222 4.7 24.1 1.0
O B:PRO194 4.7 21.1 1.0
CA B:PHE222 4.8 20.1 1.0
C B:GLU220 4.8 21.9 1.0
CB B:SER195 4.9 23.6 0.5
CA B:PRO194 4.9 20.9 1.0

Chlorine binding site 3 out of 5 in 2x1d

Go back to Chlorine Binding Sites List in 2x1d
Chlorine binding site 3 out of 5 in the The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1360

b:32.2
occ:0.50
 O B:HOH2246 2.9 25.7 1.0
N B:VAL341 3.0 20.4 1.0
CA B:PHE340 3.4 20.0 1.0
CB B:PHE340 3.6 19.9 1.0
C B:PHE340 3.7 19.8 1.0
O B:VAL341 4.0 22.0 1.0
CA B:VAL341 4.1 20.0 1.0
CB B:VAL341 4.2 20.4 1.0
C B:VAL341 4.5 20.2 1.0
CG2 B:VAL341 4.6 21.7 1.0
O B:MET339 4.6 21.1 1.0
N B:PHE340 4.7 20.1 1.0
CG B:PHE340 5.0 20.3 1.0
O B:PHE340 5.0 19.0 1.0

Chlorine binding site 4 out of 5 in 2x1d

Go back to Chlorine Binding Sites List in 2x1d
Chlorine binding site 4 out of 5 in the The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1358

b:48.2
occ:1.00
 CD C:GLU220 3.7 33.0 1.0
CD1 C:PHE222 3.7 27.4 1.0
OE1 C:GLU220 3.7 33.5 1.0
N C:SER195 3.8 23.6 0.5
N C:SER195 3.8 23.7 0.5
CG C:GLU220 3.9 26.7 1.0
CA C:SER195 3.9 24.3 0.5
CA C:SER195 3.9 24.2 0.5
CB C:PHE222 4.1 21.5 1.0
CB C:PRO194 4.1 21.5 1.0
C C:PRO194 4.1 22.8 1.0
OE2 C:GLU220 4.1 32.9 1.0
CB C:SER195 4.2 25.5 0.5
CG C:PHE222 4.3 23.4 1.0
CB C:GLU220 4.3 24.3 1.0
O C:ALA221 4.3 21.2 1.0
C C:ALA221 4.3 20.8 1.0
CB C:SER195 4.4 25.2 0.5
O C:PRO194 4.4 23.1 1.0
N C:PHE222 4.5 20.2 1.0
CE1 C:PHE222 4.6 28.6 1.0
CA C:PRO194 4.7 22.0 1.0
N C:ALA221 4.8 22.4 1.0
CA C:PHE222 4.9 21.1 1.0
CA C:ALA221 4.9 21.2 1.0

Chlorine binding site 5 out of 5 in 2x1d

Go back to Chlorine Binding Sites List in 2x1d
Chlorine binding site 5 out of 5 in the The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Mature Acyl Coenzyme A:Isopenicillin N Acyltransferase From Penicillium Chrysogenum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1360

b:53.0
occ:1.00
 CD2 D:PHE222 3.7 24.8 1.0
CD D:GLU220 3.9 31.5 1.0
N D:SER195 4.0 24.4 0.5
N D:SER195 4.0 24.3 0.5
OE1 D:GLU220 4.0 33.9 1.0
CG D:GLU220 4.1 26.8 1.0
CB D:PRO194 4.1 21.7 1.0
CA D:SER195 4.1 25.0 0.5
CA D:SER195 4.1 25.1 0.5
CB D:PHE222 4.1 20.5 1.0
C D:PRO194 4.2 23.1 1.0
OE2 D:GLU220 4.2 33.6 1.0
O D:ALA221 4.3 22.9 1.0
CG D:PHE222 4.3 21.2 1.0
C D:ALA221 4.4 21.6 1.0
CB D:GLU220 4.4 24.8 1.0
CB D:SER195 4.5 26.3 0.5
O D:PRO194 4.5 22.9 1.0
CB D:SER195 4.5 26.4 0.5
N D:PHE222 4.6 20.2 1.0
CE2 D:PHE222 4.6 24.7 1.0
N D:ALA221 4.7 23.1 1.0
CA D:PRO194 4.8 21.8 1.0
CA D:ALA221 4.9 21.8 1.0
CA D:PHE222 5.0 20.0 1.0
OG D:SER195 5.0 27.6 0.5

Reference:

M.Bokhove, H.Yoshida, C.M.H.Hensgens, J.M.Van Der Laan, J.D.Sutherland, B.W.Dijkstra. Structures of An Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles For the Active Site Residues of Precursor and Mature Enzyme. Structure V. 18 301 2010.
ISSN: ISSN 0969-2126
PubMed: 20223213
DOI: 10.1016/J.STR.2010.01.005
Page generated: Sat Dec 12 09:24:44 2020

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