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Calcium in PDB 2z6j: Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor

Enzymatic activity of Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor

All present enzymatic activity of Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor:
1.3.1.9;

Protein crystallography data

The structure of Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor, PDB code: 2z6j was solved by J.Saito, M.Yamada, T.Watanabe, Y.Takeuchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.08 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.630, 126.485, 53.522, 90.00, 112.04, 90.00
R / Rfree (%) 24.9 / 30.6

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor (pdb code 2z6j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor, PDB code: 2z6j:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 2z6j

Go back to Calcium Binding Sites List in 2z6j
Calcium binding site 1 out of 4 in the Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca602

b:32.9
occ:1.00
 OD1 A:ASN201 2.4 20.9 1.0
CG A:ASN201 3.5 20.9 1.0
ND2 A:ASN201 4.1 21.1 1.0
O A:GLU199 4.6 20.4 1.0
OD2 A:ASP27 4.7 25.7 1.0
CB A:ASN201 4.8 20.1 1.0
O A:SER200 5.0 20.1 1.0
CA A:ASN201 5.0 20.2 1.0

Calcium binding site 2 out of 4 in 2z6j

Go back to Calcium Binding Sites List in 2z6j
Calcium binding site 2 out of 4 in the Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca603

b:26.7
occ:1.00
 O A:ALA158 2.2 20.9 1.0
O A:ILE161 2.3 21.8 1.0
C A:ALA158 3.3 20.9 1.0
C A:ILE161 3.5 21.6 1.0
CA A:ALA158 4.1 20.8 1.0
CA A:SER162 4.3 22.1 1.0
N A:SER162 4.3 21.9 1.0
N A:THR159 4.4 21.1 1.0
N A:ILE161 4.5 21.2 1.0
CA A:ILE161 4.5 21.5 1.0
CB A:ALA158 4.6 20.6 1.0
CA A:THR159 4.7 21.2 1.0
O A:ILE163 4.8 21.3 1.0
C A:THR159 4.8 21.3 1.0
C A:SER162 4.8 21.9 1.0
CG1 A:ILE161 4.8 21.4 1.0
O A:THR159 4.8 21.6 1.0
O A:VAL157 5.0 19.7 1.0

Calcium binding site 3 out of 4 in 2z6j

Go back to Calcium Binding Sites List in 2z6j
Calcium binding site 3 out of 4 in the Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca601

b:29.7
occ:1.00
 OD1 B:ASN201 2.4 15.8 1.0
CG B:ASN201 3.6 17.2 1.0
ND2 B:ASN201 4.2 13.0 1.0
O B:GLU199 4.4 21.8 1.0
O B:SER200 4.6 20.5 1.0
OD2 B:ASP27 4.7 22.0 1.0
CB B:ASN201 4.8 19.4 1.0
CA B:ASN201 4.9 19.8 1.0
C B:GLU199 5.0 21.6 1.0
O B:LYS198 5.0 22.2 1.0

Calcium binding site 4 out of 4 in 2z6j

Go back to Calcium Binding Sites List in 2z6j
Calcium binding site 4 out of 4 in the Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of S. Pneumoniae Enoyl-Acyl Carrier Protein Reductase (Fabk) in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca604

b:35.4
occ:1.00
 O B:ALA158 2.4 23.0 1.0
O B:ILE161 2.6 22.4 1.0
C B:ALA158 3.5 22.6 1.0
C B:ILE161 3.8 22.8 1.0
CA B:ALA158 4.2 21.9 1.0
CA B:SER162 4.3 22.4 1.0
N B:SER162 4.5 22.7 1.0
N B:THR159 4.6 23.4 1.0
CB B:ALA158 4.7 21.9 1.0
O B:HOH615 4.7 15.8 1.0
C B:SER162 4.8 21.9 1.0
O B:ILE163 4.8 19.8 1.0
CA B:THR159 4.8 23.8 1.0
O B:SER162 4.8 21.7 1.0
CA B:ILE161 4.9 23.0 1.0
N B:ILE161 4.9 22.8 1.0
O B:THR159 4.9 23.7 1.0
C B:THR159 4.9 23.5 1.0

Reference:

J.Saito, M.Yamada, T.Watanabe, M.Iida, H.Kitagawa, S.Takahata, T.Ozawa, Y.Takeuchi, F.Ohsawa. Crystal Structure of Enoyl-Acyl Carrier Protein Reductase (Fabk) From Streptococcus Pneumoniae Reveals the Binding Mode of An Inhibitor. Protein Sci. V. 17 691 2008.
ISSN: ISSN 0961-8368
PubMed: 18305197
DOI: 10.1110/PS.073288808
Page generated: Fri Jul 12 19:49:16 2024

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