Atomistry » Chlorine » PDB 2wzd-2x8b » 2x1d
Atomistry »
  Chlorine »
    PDB 2wzd-2x8b »
      2x1d »

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: Fri Jul 11 01:44:43 2025

Last articles

Na in 4U7X
Na in 4U99
Na in 4U8W
Na in 4U6I
Na in 4U6B
Na in 4U44
Na in 4TWS
Na in 4U3Z
Na in 4U3E
Na in 4U1P
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy