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Chlorine in PDB 3oif: Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl)

Enzymatic activity of Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl)

All present enzymatic activity of Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl):
1.3.1.9;

Protein crystallography data

The structure of Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl), PDB code: 3oif was solved by K.-H.Kim, B.H.Ha, S.J.Kim, S.K.Hong, K.Y.Hwang, E.E.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.98 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 64.098, 83.655, 203.547, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 27.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl) (pdb code 3oif). 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 Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl), PDB code: 3oif:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3oif

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Chlorine binding site 1 out of 6 in the Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl)


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 Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:50.4
occ:1.00
 CL14 A:TCL502 0.0 50.4 1.0
C2 A:TCL502 1.8 46.8 1.0
C3 A:TCL502 2.7 44.6 1.0
C1 A:TCL502 2.8 45.3 1.0
CZ A:TYR148 3.3 40.5 1.0
O7N A:NAD501 3.4 52.8 1.0
CE1 A:TYR148 3.4 39.2 1.0
CE2 A:TYR148 3.7 38.2 1.0
OH A:TYR148 3.7 43.5 1.0
CB A:PRO193 3.8 45.2 1.0
CD1 A:TYR148 3.9 40.0 1.0
C4N A:NAD501 3.9 50.4 1.0
CG A:PRO193 4.0 44.1 1.0
C4 A:TCL502 4.0 46.1 1.0
CA A:PRO193 4.0 44.7 1.0
C6 A:TCL502 4.0 45.9 1.0
CD2 A:TYR148 4.1 38.2 1.0
CG A:TYR148 4.2 38.3 1.0
C7N A:NAD501 4.2 51.8 1.0
C3N A:NAD501 4.3 52.0 1.0
CE1 A:PHE205 4.5 84.4 1.0
C5 A:TCL502 4.6 46.7 1.0
C5N A:NAD501 4.6 50.3 1.0
N A:PRO193 4.6 42.5 1.0
CD A:PRO193 4.9 42.5 1.0
CZ A:PHE205 4.9 83.6 1.0

Chlorine binding site 2 out of 6 in 3oif

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Chlorine binding site 2 out of 6 in the Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl)


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 Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:63.5
occ:1.00
 CL15 A:TCL502 0.0 63.5 1.0
C11 A:TCL502 1.8 60.5 1.0
C10 A:TCL502 2.7 61.3 1.0
C12 A:TCL502 2.8 60.5 1.0
O A:ALA98 3.0 48.7 1.0
N A:ALA98 3.3 47.5 1.0
C A:ALA98 3.8 49.0 1.0
CD1 A:LEU103 3.9 44.0 1.0
CA A:ALA98 4.0 48.3 1.0
C9 A:TCL502 4.0 61.0 1.0
CD1 A:PHE97 4.1 51.0 1.0
C13 A:TCL502 4.1 58.8 1.0
C A:PHE97 4.1 47.1 1.0
CA A:PHE97 4.1 47.0 1.0
CB A:ALA98 4.3 47.9 1.0
CE A:MET161 4.3 34.6 1.0
CE1 A:PHE97 4.5 51.6 1.0
C8 A:TCL502 4.6 57.3 1.0
CG A:PHE97 4.6 49.4 1.0
CB A:PHE97 4.9 47.4 1.0

Chlorine binding site 3 out of 6 in 3oif

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Chlorine binding site 3 out of 6 in the Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl)


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 Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:70.8
occ:1.00
 CL16 A:TCL502 0.0 70.8 1.0
C9 A:TCL502 1.8 61.0 1.0
C10 A:TCL502 2.7 61.3 1.0
C8 A:TCL502 2.9 57.3 1.0
CB A:ALA96 3.1 44.3 1.0
O7 A:TCL502 3.1 50.2 1.0
OG A:SER198 3.2 72.1 1.0
O A:ALA96 3.4 45.8 1.0
CB A:SER198 3.5 74.0 1.0
O5D A:NAD501 3.5 51.0 1.0
C A:ALA96 3.6 45.2 1.0
C3D A:NAD501 3.6 50.1 1.0
CA A:ALA96 3.7 44.7 1.0
C2D A:NAD501 3.7 48.7 1.0
C5B A:NAD501 3.9 52.7 1.0
O2D A:NAD501 4.0 49.3 1.0
N A:ALA96 4.0 43.5 1.0
C11 A:TCL502 4.0 60.5 1.0
C13 A:TCL502 4.1 58.8 1.0
N A:PHE97 4.3 46.3 1.0
C5D A:NAD501 4.3 50.6 1.0
O3 A:NAD501 4.4 54.7 1.0
C5 A:TCL502 4.5 46.7 1.0
O3D A:NAD501 4.5 49.2 1.0
C12 A:TCL502 4.6 60.5 1.0
PN A:NAD501 4.6 51.4 1.0
C4D A:NAD501 4.6 50.0 1.0
O5B A:NAD501 4.8 54.0 1.0
CA A:PHE97 4.8 47.0 1.0
O1N A:NAD501 4.8 53.6 1.0
CE A:MET161 4.9 34.6 1.0
O1A A:NAD501 4.9 57.1 1.0
CA A:SER198 5.0 74.5 1.0

Chlorine binding site 4 out of 6 in 3oif

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Chlorine binding site 4 out of 6 in the Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl)


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 Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl602

b:48.9
occ:1.00
 CL14 D:TCL602 0.0 48.9 1.0
C2 D:TCL602 1.8 46.6 1.0
C3 D:TCL602 2.7 47.1 1.0
C1 D:TCL602 2.7 47.3 1.0
CE1 D:TYR148 3.3 41.7 1.0
CZ D:TYR148 3.3 43.7 1.0
O7N D:NAD601 3.6 52.2 1.0
CD1 D:TYR148 3.7 40.1 1.0
CE2 D:TYR148 3.8 42.7 1.0
OH D:TYR148 3.8 44.1 1.0
C6 D:TCL602 4.0 49.0 1.0
C4 D:TCL602 4.0 48.7 1.0
C4N D:NAD601 4.1 53.3 1.0
CG D:TYR148 4.1 40.2 1.0
CD2 D:TYR148 4.1 40.6 1.0
C7N D:NAD601 4.1 51.8 1.0
CA D:PRO193 4.1 49.5 1.0
CB D:PRO193 4.3 49.5 1.0
C3N D:NAD601 4.3 53.2 1.0
CG D:PRO193 4.4 49.0 1.0
CE1 D:PHE205 4.5 93.0 1.0
CZ D:PHE205 4.5 92.7 1.0
C5 D:TCL602 4.5 51.1 1.0
N D:PRO193 4.7 48.1 1.0
C5N D:NAD601 5.0 53.7 1.0
CE1 D:TYR158 5.0 46.5 1.0
CD D:PRO193 5.0 48.1 1.0

Chlorine binding site 5 out of 6 in 3oif

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Chlorine binding site 5 out of 6 in the Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl)


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 Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl602

b:62.9
occ:1.00
 CL15 D:TCL602 0.0 62.9 1.0
C11 D:TCL602 1.8 60.6 1.0
C10 D:TCL602 2.7 61.9 1.0
C12 D:TCL602 2.8 59.2 1.0
N D:ALA98 3.1 55.5 1.0
O D:ALA98 3.2 57.7 1.0
CB D:ALA98 3.6 56.3 1.0
CA D:ALA98 3.7 56.5 1.0
C D:ALA98 3.8 57.5 1.0
C9 D:TCL602 4.0 61.0 1.0
C D:PHE97 4.0 54.8 1.0
CD1 D:LEU103 4.0 57.1 1.0
C13 D:TCL602 4.1 58.1 1.0
CA D:PHE97 4.2 54.4 1.0
CD1 D:PHE97 4.3 57.0 1.0
C8 D:TCL602 4.6 58.5 1.0
CE1 D:PHE97 4.6 57.5 1.0
CG D:PHE97 4.7 55.5 1.0
O D:ALA96 5.0 52.1 1.0

Chlorine binding site 6 out of 6 in 3oif

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Chlorine binding site 6 out of 6 in the Crystal Structure of Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl)


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 Enoyl-Acp Reductases I (Fabi) From B. Subtilis (Complex with Nad and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl602

b:67.3
occ:1.00
 CL16 D:TCL602 0.0 67.3 1.0
C9 D:TCL602 1.8 61.0 1.0
C10 D:TCL602 2.7 61.9 1.0
C8 D:TCL602 2.8 58.5 1.0
O7 D:TCL602 3.0 55.0 1.0
O D:ALA96 3.1 52.1 1.0
OG D:SER198 3.2 65.1 1.0
C3D D:NAD601 3.3 56.9 1.0
C2D D:NAD601 3.4 55.8 1.0
CB D:SER198 3.4 67.5 1.0
O2D D:NAD601 3.5 57.8 1.0
CB D:ALA96 3.6 50.7 1.0
O5D D:NAD601 3.6 56.7 1.0
C D:ALA96 3.8 52.0 1.0
N D:ALA96 3.8 50.0 1.0
CA D:ALA96 3.9 51.1 1.0
C11 D:TCL602 4.0 60.6 1.0
C5B D:NAD601 4.1 59.1 1.0
C13 D:TCL602 4.1 58.1 1.0
O3D D:NAD601 4.2 57.7 1.0
C5 D:TCL602 4.4 51.1 1.0
C4D D:NAD601 4.4 56.7 1.0
C5D D:NAD601 4.4 57.9 1.0
C12 D:TCL602 4.6 59.2 1.0
O3 D:NAD601 4.6 62.0 1.0
PN D:NAD601 4.7 58.2 1.0
O1N D:NAD601 4.7 58.2 1.0
C1D D:NAD601 4.8 55.5 1.0
O17 D:TCL602 4.8 48.9 1.0
N D:PHE97 4.9 53.2 1.0
CA D:SER198 4.9 67.4 1.0
O4B D:NAD601 4.9 56.4 1.0
O5B D:NAD601 5.0 61.5 1.0
C D:ILE95 5.0 49.7 1.0

Reference:

K.-H.Kim, B.H.Ha, S.J.Kim, S.K.Hong, K.Y.Hwang, E.E.Kim. Crystal Structures of Enoyl-Acp Reductases I (Fabi) and III (Fabl) From B. Subtilis J.Mol.Biol. V. 406 403 2011.
ISSN: ISSN 0022-2836
PubMed: 21185310
DOI: 10.1016/J.JMB.2010.12.003
Page generated: Sun Jul 21 01:39:54 2024

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