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Chlorine in PDB 1z6b: Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A

Protein crystallography data

The structure of Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A, PDB code: 1z6b was solved by D.Kostrewa, F.K.Winkler, G.Folkers, L.Scapozza, R.Perozzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 87.71 / 2.09
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 90.604, 127.490, 173.673, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 22.2

Other elements in 1z6b:

The structure of Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A also contains other interesting chemical elements:

Arsenic (As) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A (pdb code 1z6b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A, PDB code: 1z6b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1z6b

Go back to Chlorine Binding Sites List in 1z6b
Chlorine binding site 1 out of 6 in the Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A


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 Plasmodium Falciparum Fabz at 2.1 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:65.1
occ:1.00
 O B:HOH515 3.1 47.5 1.0
N A:GLY142 3.2 61.8 1.0
C1 B:CAC401 3.4 0.9 1.0
NE2 A:HIS133 3.6 54.9 1.0
CE1 A:HIS133 3.7 62.4 1.0
O2 B:CAC401 3.8 0.1 1.0
CA A:PRO141 4.0 61.3 1.0
CD2 B:LEU170 4.0 73.4 1.0
CB B:PHE171 4.1 73.5 1.0
CA A:GLY142 4.1 60.0 1.0
AS B:CAC401 4.1 0.5 1.0
C A:PRO141 4.1 61.5 1.0
C2 B:CAC401 4.6 0.5 1.0
N B:PHE171 4.7 76.7 1.0
CB A:PRO141 4.8 59.4 1.0
CB B:LEU170 4.8 82.7 1.0
O A:MET140 4.8 62.1 1.0
CG B:LEU170 4.9 82.5 1.0
CD2 B:PHE171 4.9 65.8 1.0
CD2 A:HIS133 4.9 55.5 1.0

Chlorine binding site 2 out of 6 in 1z6b

Go back to Chlorine Binding Sites List in 1z6b
Chlorine binding site 2 out of 6 in the Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A


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 Plasmodium Falciparum Fabz at 2.1 A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:59.0
occ:1.00
 O A:HOH521 3.1 57.1 1.0
O A:HOH516 3.2 52.0 1.0
N B:GLY142 3.3 61.3 1.0
O2 A:CAC402 3.4 0.5 1.0
N A:PHE171 3.5 66.9 1.0
CE1 B:HIS133 3.6 59.5 1.0
NE2 B:HIS133 3.7 61.3 1.0
C1 A:CAC402 3.8 0.9 1.0
CB A:PHE171 3.9 66.0 1.0
CA B:PRO141 4.0 60.3 1.0
CD2 A:LEU170 4.0 81.1 1.0
AS A:CAC402 4.1 0.3 1.0
CA B:GLY142 4.1 61.8 1.0
C B:PRO141 4.1 62.3 1.0
CA A:LEU170 4.3 69.9 1.0
CA A:PHE171 4.3 66.3 1.0
C A:LEU170 4.4 69.5 1.0
CB A:LEU170 4.6 73.4 1.0
O B:MET140 4.7 60.2 1.0
CD2 A:PHE171 4.8 56.1 1.0
O1 A:CAC402 4.8 0.2 1.0
CB B:PRO141 4.8 52.6 1.0
CG A:PHE171 4.8 61.7 1.0
ND1 B:HIS133 4.9 60.9 1.0
CG A:LEU170 5.0 74.0 1.0

Chlorine binding site 3 out of 6 in 1z6b

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Chlorine binding site 3 out of 6 in the Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A


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 Plasmodium Falciparum Fabz at 2.1 A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:63.6
occ:1.00
 N C:GLY142 3.3 62.4 1.0
O D:HOH510 3.4 43.3 1.0
O2 D:CAC403 3.5 0.7 1.0
C1 D:CAC403 3.6 0.8 1.0
NE2 C:HIS133 3.6 56.6 1.0
CE1 C:HIS133 3.7 60.9 1.0
CD2 D:LEU170 4.0 86.5 1.0
CA C:GLY142 4.1 62.3 1.0
AS D:CAC403 4.1 0.6 1.0
CB D:PHE171 4.2 73.7 1.0
CA C:PRO141 4.2 57.9 1.0
N D:PHE171 4.2 78.4 1.0
C C:PRO141 4.2 60.4 1.0
CB D:LEU170 4.7 90.8 1.0
O C:MET140 4.7 60.4 1.0
CA D:LEU170 4.7 92.2 1.0
O1 D:CAC403 4.7 0.5 1.0
CG D:LEU170 4.9 92.5 1.0
CA D:PHE171 4.9 72.4 1.0
CD2 C:HIS133 4.9 57.9 1.0
ND1 C:HIS133 4.9 61.2 1.0

Chlorine binding site 4 out of 6 in 1z6b

Go back to Chlorine Binding Sites List in 1z6b
Chlorine binding site 4 out of 6 in the Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:57.8
occ:1.00
 N D:GLY142 3.2 65.4 1.0
O C:HOH516 3.3 52.0 1.0
O C:HOH510 3.3 45.0 1.0
CE1 D:HIS133 3.6 66.8 1.0
O2 C:CAC404 3.6 0.8 1.0
NE2 D:HIS133 3.6 59.5 1.0
CD2 C:LEU170 3.7 77.0 1.0
C1 C:CAC404 3.9 0.7 1.0
CA D:PRO141 4.0 61.8 1.0
N C:PHE171 4.0 69.8 1.0
CA D:GLY142 4.0 62.3 1.0
C D:PRO141 4.1 61.7 1.0
CB C:PHE171 4.2 69.6 1.0
AS C:CAC404 4.3 0.7 1.0
CA C:LEU170 4.6 79.0 1.0
CB C:LEU170 4.7 76.9 1.0
O D:MET140 4.7 60.0 1.0
CG C:LEU170 4.7 80.9 1.0
CA C:PHE171 4.8 68.6 1.0
O1 C:CAC404 4.8 0.7 1.0
ND1 D:HIS133 4.8 62.8 1.0
CD2 C:PHE171 4.9 62.7 1.0
C C:LEU170 4.9 73.0 1.0
CB D:PRO141 4.9 61.5 1.0
CD2 D:HIS133 5.0 64.2 1.0

Chlorine binding site 5 out of 6 in 1z6b

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Chlorine binding site 5 out of 6 in the Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl305

b:57.3
occ:1.00
 N E:GLY142 3.1 60.9 1.0
O F:HOH533 3.2 58.3 1.0
O F:HOH511 3.2 43.5 1.0
CE1 E:HIS133 3.5 57.8 1.0
NE2 E:HIS133 3.5 56.6 1.0
O2 F:CAC405 3.7 0.2 1.0
C1 F:CAC405 3.9 0.5 1.0
CD2 F:LEU170 3.9 81.0 1.0
CA E:PRO141 3.9 62.0 1.0
CA E:GLY142 4.0 60.7 1.0
CB F:PHE171 4.0 70.7 1.0
C E:PRO141 4.0 62.8 1.0
N F:PHE171 4.0 72.2 1.0
AS F:CAC405 4.3 0.3 1.0
O E:MET140 4.7 60.7 1.0
CA F:PHE171 4.7 68.8 1.0
CB F:LEU170 4.7 85.5 1.0
CA F:LEU170 4.7 85.0 1.0
ND1 E:HIS133 4.7 58.9 1.0
CD2 F:PHE171 4.8 61.1 1.0
CD2 E:HIS133 4.8 56.7 1.0
O1 F:CAC405 4.8 0.2 1.0
CB E:PRO141 4.8 63.5 1.0
CG F:LEU170 4.9 90.5 1.0
CG F:PHE171 4.9 68.1 1.0
C F:LEU170 4.9 76.2 1.0
N E:PRO141 4.9 58.9 1.0

Chlorine binding site 6 out of 6 in 1z6b

Go back to Chlorine Binding Sites List in 1z6b
Chlorine binding site 6 out of 6 in the Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Plasmodium Falciparum Fabz at 2.1 A within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl306

b:61.2
occ:1.00
 O E:HOH524 3.2 51.7 1.0
N F:GLY142 3.3 61.9 1.0
CE1 F:HIS133 3.4 59.2 1.0
O E:HOH534 3.4 65.5 1.0
O2 E:CAC406 3.4 0.8 1.0
NE2 F:HIS133 3.5 59.6 1.0
C1 E:CAC406 3.9 0.3 1.0
CA F:PRO141 3.9 61.7 1.0
N E:PHE171 4.0 75.8 1.0
CD2 E:LEU170 4.0 82.9 1.0
C F:PRO141 4.1 62.9 1.0
CA F:GLY142 4.2 64.1 1.0
CB E:PHE171 4.2 68.8 1.0
AS E:CAC406 4.3 0.8 1.0
CA E:LEU170 4.5 85.2 1.0
O F:MET140 4.6 63.2 1.0
ND1 F:HIS133 4.6 58.5 1.0
CB E:LEU170 4.6 84.2 1.0
CA E:PHE171 4.7 71.0 1.0
C E:LEU170 4.8 78.7 1.0
CD2 F:HIS133 4.8 56.1 1.0
CB F:PRO141 4.9 63.8 1.0
CG E:LEU170 4.9 83.1 1.0
N F:PRO141 4.9 62.0 1.0
CD2 E:PHE171 5.0 61.1 1.0
O1 E:CAC406 5.0 0.9 1.0
CG2 F:ILE139 5.0 67.2 1.0

Reference:

D.Kostrewa, F.K.Winkler, G.Folkers, L.Scapozza, R.Perozzo. The Crystal Structure of Pffabz, the Unique Beta-Hydroxyacyl-Acp Dehydratase Involved in Fatty Acid Biosynthesis of Plasmodium Falciparum Protein Sci. V. 14 1570 2005.
ISSN: ISSN 0961-8368
PubMed: 15930004
DOI: 10.1110/PS.051373005
Page generated: Sat Jul 20 04:34:43 2024

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