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Chlorine in PDB 2o2y: The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase

Enzymatic activity of The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase

All present enzymatic activity of The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase:
1.3.1.9;

Protein crystallography data

The structure of The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase, PDB code: 2o2y was solved by S.P.Muench, S.T.Prigge, R.Mcleod, J.B.Rafferty, M.J.Kirisits, C.W.Roberts, E.J.Mui, D.W.Rice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 88.184, 82.368, 94.824, 90.00, 90.77, 90.00
R / Rfree (%) 20 / 24.6

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase (pdb code 2o2y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase, PDB code: 2o2y:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 2o2y

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Chlorine binding site 1 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


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 P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl710

b:14.2
occ:1.00
 O B:HOH1501 3.2 20.3 1.0
CE1 A:HIS215 3.3 19.6 1.0
N B:LEU143 3.5 20.2 1.0
CA B:ASP142 3.7 20.6 1.0
O B:TYR194 3.8 19.4 1.0
CB B:ASP142 3.8 20.6 1.0
CA B:GLY195 3.9 18.8 1.0
NE2 A:HIS215 3.9 21.2 1.0
CG1 A:VAL211 3.9 19.5 1.0
N B:GLY193 4.1 19.8 1.0
C B:TYR194 4.1 19.1 1.0
C B:ASP142 4.2 20.1 1.0
N B:GLY195 4.2 18.9 1.0
CB B:LEU143 4.3 20.2 1.0
O B:VAL191 4.4 19.0 1.0
ND1 A:HIS215 4.5 22.1 1.0
CA B:LEU143 4.5 20.1 1.0
O B:HOH1459 4.5 8.7 1.0
N B:TYR194 4.6 19.0 1.0
CA B:PRO192 4.7 20.1 1.0
OH C:TYR344 4.7 28.9 1.0
O B:HOH1522 4.8 24.5 1.0
C B:GLY193 4.8 19.2 1.0
CA B:GLY193 4.9 19.6 1.0
C B:PRO192 4.9 20.2 1.0
N B:ASP142 5.0 20.6 1.0
CA B:TYR194 5.0 19.1 1.0

Chlorine binding site 2 out of 16 in 2o2y

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Chlorine binding site 2 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


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 P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:21.7
occ:1.00
 CL14 A:TCL705 0.0 21.7 1.0
C2 A:TCL705 1.8 22.5 1.0
C1 A:TCL705 2.7 22.2 1.0
C3 A:TCL705 2.8 22.6 1.0
CZ A:TYR184 3.4 20.2 1.0
CE1 A:TYR184 3.6 20.3 1.0
O7N A:NAD650 3.7 20.8 1.0
CE2 A:TYR184 3.7 20.4 1.0
OH A:TYR184 3.7 20.4 1.0
CE2 A:PHE285 3.9 23.8 1.0
C4N A:NAD650 3.9 21.9 1.0
CD1 A:TYR184 4.0 20.5 1.0
C6 A:TCL705 4.0 22.4 1.0
C4 A:TCL705 4.1 22.8 1.0
CD2 A:TYR184 4.2 20.7 1.0
CD1 A:ILE286 4.2 19.3 1.0
CG A:TYR184 4.3 20.2 1.0
CZ A:PHE285 4.3 23.7 1.0
C7N A:NAD650 4.4 21.1 1.0
C3N A:NAD650 4.5 22.0 1.0
C5 A:TCL705 4.6 22.4 1.0
C5N A:NAD650 4.6 22.6 1.0
CA A:PRO231 4.6 18.4 1.0
CB A:PRO231 4.7 18.3 1.0
CE1 A:TYR194 4.8 18.7 1.0
CD2 A:PHE285 5.0 22.7 1.0

Chlorine binding site 3 out of 16 in 2o2y

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Chlorine binding site 3 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


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 P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:24.3
occ:1.00
 CL15 A:TCL705 0.0 24.3 1.0
C11 A:TCL705 1.8 22.3 1.0
C10 A:TCL705 2.7 22.6 1.0
C12 A:TCL705 2.7 22.5 1.0
N A:ALA136 3.3 20.8 1.0
CB A:ALA136 3.8 20.6 1.0
C A:ASN135 3.8 20.6 1.0
O A:ALA136 3.8 20.8 1.0
CA A:ASN135 3.9 20.6 1.0
CB A:VAL139 4.0 21.2 1.0
C9 A:TCL705 4.0 22.9 1.0
CA A:ALA136 4.0 20.9 1.0
C13 A:TCL705 4.0 21.9 1.0
CG2 A:VAL139 4.1 21.6 1.0
OD1 A:ASN135 4.1 21.9 1.0
SD A:MET198 4.2 22.4 1.0
CG1 A:VAL139 4.2 21.4 1.0
CG A:MET198 4.3 20.2 1.0
C A:ALA136 4.4 20.9 1.0
C8 A:TCL705 4.5 21.9 1.0
N A:ASN135 4.6 20.5 1.0
O A:ASN135 4.6 20.6 1.0
O A:ALA134 4.8 20.1 1.0
CG A:ASN135 4.9 20.4 1.0
C A:ALA134 4.9 20.0 1.0
CB A:ASN135 5.0 20.5 1.0

Chlorine binding site 4 out of 16 in 2o2y

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Chlorine binding site 4 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


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 P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:21.3
occ:1.00
 CL16 A:TCL705 0.0 21.3 1.0
C9 A:TCL705 1.8 22.9 1.0
C10 A:TCL705 2.8 22.6 1.0
C8 A:TCL705 2.8 21.9 1.0
O7 A:TCL705 2.9 22.1 1.0
O5D A:NAD650 3.3 20.8 1.0
CB A:ALA236 3.3 21.6 1.0
C2D A:NAD650 3.5 21.1 1.0
C3D A:NAD650 3.6 21.3 1.0
O3 A:NAD650 3.7 24.7 1.0
CB A:ALA134 3.7 19.7 1.0
O2D A:NAD650 3.8 24.0 1.0
C5B A:NAD650 3.8 21.8 1.0
O A:ALA134 3.8 20.1 1.0
O A:HOH751 3.9 18.0 1.0
N A:ALA134 4.0 19.5 1.0
C11 A:TCL705 4.0 22.3 1.0
C13 A:TCL705 4.1 21.9 1.0
C5D A:NAD650 4.1 21.2 1.0
PN A:NAD650 4.2 22.5 1.0
CA A:ALA134 4.3 19.7 1.0
C5 A:TCL705 4.3 22.4 1.0
C A:ALA134 4.3 20.0 1.0
C4D A:NAD650 4.5 21.6 1.0
C12 A:TCL705 4.6 22.5 1.0
O2N A:NAD650 4.6 21.1 1.0
O5B A:NAD650 4.6 22.9 1.0
O3D A:NAD650 4.7 22.5 1.0
PA A:NAD650 4.8 23.1 1.0
C A:LEU133 4.8 19.8 1.0
CA A:ALA236 4.8 21.3 1.0
C1D A:NAD650 4.9 21.4 1.0
O2A A:NAD650 5.0 24.5 1.0

Chlorine binding site 5 out of 16 in 2o2y

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Chlorine binding site 5 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


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 P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl711

b:22.1
occ:1.00
 O A:HOH743 2.8 16.6 1.0
CE1 B:HIS215 3.3 22.1 1.0
NE2 B:HIS215 3.6 22.5 1.0
CB A:ASP142 3.7 20.6 1.0
N A:LEU143 3.7 19.5 1.0
CA A:ASP142 3.7 20.4 1.0
CA A:GLY195 3.8 19.1 1.0
O A:TYR194 3.9 19.6 1.0
N A:GLY193 4.0 20.0 1.0
C A:TYR194 4.0 19.4 1.0
CG1 B:VAL211 4.1 20.5 1.0
N A:GLY195 4.1 19.0 1.0
C A:ASP142 4.2 19.9 1.0
N A:TYR194 4.4 19.2 1.0
ND1 B:HIS215 4.5 22.5 1.0
O A:VAL191 4.6 19.7 1.0
CA A:PRO192 4.6 20.0 1.0
CB A:LEU143 4.6 19.4 1.0
CA A:LEU143 4.7 19.3 1.0
C A:GLY193 4.7 19.5 1.0
CA A:GLY193 4.8 19.8 1.0
C A:PRO192 4.8 20.5 1.0
O A:HOH719 4.8 10.1 1.0
CA A:TYR194 4.8 19.2 1.0
O A:LYS141 4.9 19.9 1.0
CD2 B:HIS215 4.9 21.5 1.0
N A:ASP142 4.9 20.1 1.0

Chlorine binding site 6 out of 16 in 2o2y

Go back to Chlorine Binding Sites List in 2o2y
Chlorine binding site 6 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl706

b:23.6
occ:1.00
 CL14 B:TCL706 0.0 23.6 1.0
C2 B:TCL706 1.8 22.6 1.0
C1 B:TCL706 2.7 22.7 1.0
C3 B:TCL706 2.8 22.8 1.0
CZ B:TYR184 3.5 18.9 1.0
O7N B:NAD1450 3.6 18.0 1.0
CE1 B:TYR184 3.6 17.3 1.0
CE2 B:TYR184 3.9 18.4 1.0
CE2 B:PHE285 3.9 24.0 1.0
OH B:TYR184 3.9 15.9 1.0
C4N B:NAD1450 4.0 22.1 1.0
CD1 B:TYR184 4.0 17.4 1.0
C6 B:TCL706 4.0 23.0 1.0
C4 B:TCL706 4.1 23.6 1.0
CD2 B:TYR184 4.2 18.7 1.0
C7N B:NAD1450 4.3 21.2 1.0
CG B:TYR184 4.3 17.4 1.0
CZ B:PHE285 4.3 24.1 1.0
CD1 B:ILE286 4.4 19.3 1.0
C3N B:NAD1450 4.4 22.0 1.0
CB B:PRO231 4.4 18.2 1.0
CA B:PRO231 4.5 18.4 1.0
C5 B:TCL706 4.6 22.7 1.0
C5N B:NAD1450 4.8 22.9 1.0
CE2 B:TYR194 4.9 18.7 1.0
CD2 B:PHE285 4.9 23.0 1.0

Chlorine binding site 7 out of 16 in 2o2y

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Chlorine binding site 7 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl706

b:25.2
occ:1.00
 CL15 B:TCL706 0.0 25.2 1.0
C11 B:TCL706 1.8 23.9 1.0
C10 B:TCL706 2.7 24.0 1.0
C12 B:TCL706 2.8 24.6 1.0
N B:ALA136 3.4 21.5 1.0
O B:ALA136 3.8 21.6 1.0
C B:ASN135 3.9 21.2 1.0
CA B:ASN135 3.9 21.1 1.0
CB B:ALA136 4.0 21.5 1.0
C9 B:TCL706 4.0 24.0 1.0
CG1 B:VAL139 4.0 23.1 1.0
CB B:VAL139 4.0 22.6 1.0
C13 B:TCL706 4.1 24.2 1.0
CA B:ALA136 4.1 21.6 1.0
O B:HOH1532 4.2 28.9 1.0
ND2 B:ASN135 4.3 21.5 1.0
C B:ALA136 4.4 21.2 1.0
CG2 B:VAL139 4.4 23.3 1.0
CG B:MET198 4.4 21.1 1.0
SD B:MET198 4.4 25.0 1.0
N B:ASN135 4.6 20.6 1.0
C8 B:TCL706 4.6 23.6 1.0
O B:ALA134 4.8 20.1 1.0
O B:ASN135 4.8 21.6 1.0
C B:ALA134 4.9 20.4 1.0

Chlorine binding site 8 out of 16 in 2o2y

Go back to Chlorine Binding Sites List in 2o2y
Chlorine binding site 8 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl706

b:24.8
occ:1.00
 CL16 B:TCL706 0.0 24.8 1.0
C9 B:TCL706 1.8 24.0 1.0
C8 B:TCL706 2.7 23.6 1.0
C10 B:TCL706 2.8 24.0 1.0
O7 B:TCL706 2.9 23.1 1.0
O5D B:NAD1450 3.4 21.3 1.0
CB B:ALA236 3.5 21.2 1.0
O B:ALA134 3.6 20.1 1.0
C3D B:NAD1450 3.6 22.6 1.0
C2D B:NAD1450 3.6 22.6 1.0
CB B:ALA134 3.6 19.9 1.0
O3 B:NAD1450 3.8 25.6 1.0
C5B B:NAD1450 3.9 25.6 1.0
N B:ALA134 3.9 20.2 1.0
O2D B:NAD1450 3.9 21.9 1.0
C13 B:TCL706 4.0 24.2 1.0
C11 B:TCL706 4.0 23.9 1.0
O B:HOH1524 4.0 20.4 1.0
CA B:ALA134 4.1 20.3 1.0
C B:ALA134 4.1 20.4 1.0
O5B B:NAD1450 4.1 26.5 1.0
C5 B:TCL706 4.2 22.7 1.0
PN B:NAD1450 4.2 20.5 1.0
C5D B:NAD1450 4.2 21.8 1.0
O2N B:NAD1450 4.5 21.2 1.0
C4D B:NAD1450 4.5 22.0 1.0
C12 B:TCL706 4.5 24.6 1.0
O3D B:NAD1450 4.6 18.2 1.0
PA B:NAD1450 4.6 23.8 1.0
C B:LEU133 4.7 20.6 1.0
CA B:ALA236 4.9 21.2 1.0
C4 B:TCL706 5.0 23.6 1.0
O2A B:NAD1450 5.0 25.0 1.0

Chlorine binding site 9 out of 16 in 2o2y

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Chlorine binding site 9 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl712

b:23.0
occ:1.00
 NE2 C:HIS215 3.1 22.6 1.0
O D:HOH791 3.2 18.6 1.0
N D:LEU143 3.4 20.9 1.0
CA D:ASP142 3.6 21.5 1.0
CB D:ASP142 3.8 21.7 1.0
CA D:GLY195 3.9 19.2 1.0
CE1 C:HIS215 3.9 23.4 1.0
C D:ASP142 4.0 21.1 1.0
CG1 C:VAL211 4.0 19.6 1.0
O D:TYR194 4.0 19.0 1.0
CD2 C:HIS215 4.1 22.4 1.0
N D:GLY193 4.2 19.0 1.0
C D:TYR194 4.2 19.4 1.0
N D:GLY195 4.3 19.4 1.0
CB D:LEU143 4.4 20.7 1.0
CA D:LEU143 4.5 20.9 1.0
O D:VAL191 4.6 18.5 1.0
N D:TYR194 4.7 19.3 1.0
CA D:PRO192 4.7 19.1 1.0
N D:ASP142 4.8 21.2 1.0
O D:HOH728 4.8 10.3 1.0
O D:LYS141 4.9 21.0 1.0
OH A:TYR344 4.9 29.5 1.0
C D:PRO192 5.0 19.2 1.0
CA D:GLY193 5.0 19.2 1.0
C D:GLY193 5.0 19.2 1.0

Chlorine binding site 10 out of 16 in 2o2y

Go back to Chlorine Binding Sites List in 2o2y
Chlorine binding site 10 out of 16 in the The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Crystal Structure of P. Falciparum Enoyl Acyl Carrier Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl708

b:21.3
occ:1.00
 CL14 C:TCL708 0.0 21.3 1.0
C2 C:TCL708 1.8 21.9 1.0
C3 C:TCL708 2.8 21.3 1.0
C1 C:TCL708 2.8 22.1 1.0
O7N C:NAD750 3.4 20.3 1.0
CZ C:TYR184 3.5 18.8 1.0
CE1 C:TYR184 3.6 18.4 1.0
CE2 C:PHE285 3.8 25.5 1.0
CE2 C:TYR184 3.8 18.2 1.0
C4N C:NAD750 3.8 22.2 1.0
OH C:TYR184 3.9 18.5 1.0
CD1 C:TYR184 4.0 18.6 1.0
C4 C:TCL708 4.1 21.6 1.0
C6 C:TCL708 4.1 21.4 1.0
C7N C:NAD750 4.1 19.8 1.0
CD2 C:TYR184 4.2 17.4 1.0
C3N C:NAD750 4.3 21.2 1.0
CG C:TYR184 4.3 18.5 1.0
CZ C:PHE285 4.3 25.7 1.0
CD1 C:ILE286 4.4 21.6 1.0
CA C:PRO231 4.5 18.7 1.0
C5 C:TCL708 4.6 21.4 1.0
C5N C:NAD750 4.6 21.2 1.0
CB C:PRO231 4.7 19.1 1.0
CD2 C:PHE285 4.9 25.8 1.0

Reference:

S.P.Muench, S.T.Prigge, R.Mcleod, J.B.Rafferty, M.J.Kirisits, C.W.Roberts, E.J.Mui, D.W.Rice. Studies of Toxoplasma Gondii and Plasmodium Falciparum Enoyl Acyl Carrier Protein Reductase and Implications For the Development of Antiparasitic Agents Acta Crystallogr.,Sect.D V. 63 328 2007.
ISSN: ISSN 0907-4449
PubMed: 17327670
DOI: 10.1107/S0907444906053625
Page generated: Sat Jul 20 09:18:36 2024

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