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Chlorine in PDB 3oid: Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl)

Enzymatic activity of Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl)

All present enzymatic activity of Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl):
1.3.1.10;

Protein crystallography data

The structure of Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl), PDB code: 3oid 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) 36.01 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.376, 110.683, 85.169, 90.00, 91.82, 90.00
R / Rfree (%) 14.9 / 18.1

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) (pdb code 3oid). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl), PDB code: 3oid:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 3oid

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Chlorine binding site 1 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp 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 III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:16.4
occ:1.00
 CL14 A:TCL601 0.0 16.4 1.0
C2 A:TCL601 1.8 13.4 1.0
C1 A:TCL601 2.7 10.9 1.0
C3 A:TCL601 2.8 13.0 1.0
O A:HOH495 3.4 24.4 1.0
CD2 A:LEU148 3.8 17.7 1.0
C6 A:TCL601 4.0 10.2 1.0
O7N A:NDP501 4.0 10.7 1.0
C4 A:TCL601 4.1 14.2 1.0
C4N A:NDP501 4.1 13.2 1.0
CA A:ALA186 4.2 10.5 1.0
CB A:ALA186 4.4 9.4 1.0
CZ A:PHE195 4.4 17.9 1.0
C5 A:TCL601 4.5 11.0 1.0
N A:ALA186 4.5 10.7 1.0
C3N A:NDP501 4.7 10.2 1.0
C7N A:NDP501 4.7 11.3 1.0
C5N A:NDP501 4.8 12.4 1.0
CD2 A:LEU192 4.8 23.5 1.0
C A:GLY185 4.8 10.6 1.0
O A:GLY185 4.9 10.1 1.0
CE2 A:PHE195 5.0 17.1 1.0

Chlorine binding site 2 out of 12 in 3oid

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Chlorine binding site 2 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp 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 III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:21.7
occ:1.00
 CL15 A:TCL601 0.0 21.7 1.0
C11 A:TCL601 1.8 16.7 1.0
C10 A:TCL601 2.7 15.4 1.0
C12 A:TCL601 2.7 16.5 1.0
N A:GLY93 3.2 13.8 1.0
O A:GLY93 3.5 12.3 1.0
ND1 A:HIS194 3.6 33.7 1.0
C A:SER92 3.6 11.9 1.0
CA A:GLY93 3.7 11.2 1.0
CG A:HIS194 3.8 28.4 1.0
C A:GLY93 3.9 12.0 1.0
C9 A:TCL601 3.9 13.4 1.0
CA A:SER92 3.9 11.2 1.0
CE1 A:HIS194 4.0 34.5 1.0
C13 A:TCL601 4.1 13.2 1.0
CB A:HIS194 4.1 25.6 1.0
O A:SER92 4.2 13.9 1.0
OG A:SER92 4.3 19.0 1.0
CD2 A:HIS194 4.3 34.8 1.0
NE2 A:HIS194 4.5 39.4 1.0
C8 A:TCL601 4.5 12.4 1.0
O A:HOH480 4.5 29.0 1.0
O A:HOH294 4.8 14.8 1.0
CG A:LEU95 4.8 19.1 1.0
CB A:SER92 4.8 11.9 1.0
N A:VAL94 5.0 12.1 1.0
CD1 A:LEU95 5.0 22.1 1.0

Chlorine binding site 3 out of 12 in 3oid

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Chlorine binding site 3 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp 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 III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:23.9
occ:1.00
 CL16 A:TCL601 0.0 23.9 1.0
C9 A:TCL601 1.7 13.4 1.0
C10 A:TCL601 2.7 15.4 1.0
C8 A:TCL601 2.7 12.4 1.0
O7 A:TCL601 2.9 13.3 1.0
CB A:ALA191 3.4 12.8 1.0
O5D A:NDP501 3.4 9.2 1.0
O3 A:NDP501 3.5 11.1 1.0
O A:ALA91 3.7 9.1 1.0
C2D A:NDP501 3.7 7.1 1.0
C11 A:TCL601 3.9 16.7 1.0
C3D A:NDP501 3.9 9.3 1.0
CB A:ALA91 4.0 7.8 1.0
C13 A:TCL601 4.0 13.2 1.0
O2D A:NDP501 4.2 9.7 1.0
O A:HOH316 4.2 19.2 1.0
PN A:NDP501 4.2 10.0 1.0
O A:HOH294 4.2 14.8 1.0
C5 A:TCL601 4.2 11.0 1.0
C A:ALA91 4.2 8.9 1.0
O2A A:NDP501 4.4 13.0 1.0
C5D A:NDP501 4.4 9.0 1.0
C5B A:NDP501 4.4 7.1 1.0
C12 A:TCL601 4.5 16.5 1.0
O2N A:NDP501 4.5 12.8 1.0
CA A:ALA91 4.6 7.5 1.0
PA A:NDP501 4.6 12.3 1.0
C4D A:NDP501 4.7 7.5 1.0
CA A:ALA191 4.7 13.3 1.0
N A:ALA91 4.8 8.0 1.0
C4 A:TCL601 4.9 14.2 1.0

Chlorine binding site 4 out of 12 in 3oid

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Chlorine binding site 4 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp 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 III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:15.8
occ:1.00
 CL14 B:TCL603 0.0 15.8 1.0
C2 B:TCL603 1.8 14.5 1.0
C1 B:TCL603 2.7 11.1 1.0
C3 B:TCL603 2.8 11.6 1.0
CD2 B:LEU148 3.9 18.8 1.0
C6 B:TCL603 4.0 10.9 1.0
CA B:ALA186 4.0 9.6 1.0
C4 B:TCL603 4.1 10.9 1.0
C4N B:NDP503 4.1 9.6 1.0
O7N B:NDP503 4.2 11.7 1.0
CB B:ALA186 4.2 10.4 1.0
N B:ALA186 4.3 9.5 1.0
CZ B:PHE195 4.4 14.3 1.0
C5 B:TCL603 4.5 12.1 1.0
C B:GLY185 4.7 11.1 1.0
CD1 B:LEU201 4.7 25.0 1.0
C5N B:NDP503 4.7 11.1 1.0
O B:GLY185 4.8 10.6 1.0
C3N B:NDP503 4.8 8.4 1.0
CG B:LEU148 4.9 22.6 1.0
CB B:SER141 4.9 9.3 1.0
C7N B:NDP503 5.0 10.4 1.0
CE1 B:PHE195 5.0 19.9 1.0

Chlorine binding site 5 out of 12 in 3oid

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Chlorine binding site 5 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp 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 III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:23.0
occ:1.00
 CL15 B:TCL603 0.0 23.0 1.0
C11 B:TCL603 1.8 16.2 1.0
C10 B:TCL603 2.6 12.6 1.0
C12 B:TCL603 2.7 14.2 1.0
N B:GLY93 3.2 12.2 1.0
C B:SER92 3.5 11.9 1.0
O B:GLY93 3.5 10.5 1.0
ND1 B:HIS194 3.5 28.3 1.0
CA B:GLY93 3.5 11.3 1.0
CG B:HIS194 3.7 21.4 1.0
C B:GLY93 3.8 12.7 1.0
CA B:SER92 3.8 9.8 1.0
C9 B:TCL603 3.9 13.9 1.0
CE1 B:HIS194 4.0 22.9 1.0
O B:SER92 4.0 11.5 1.0
C13 B:TCL603 4.0 16.0 1.0
CB B:HIS194 4.1 19.3 1.0
CD2 B:HIS194 4.2 25.1 1.0
NE2 B:HIS194 4.4 25.4 1.0
OG B:SER92 4.4 14.4 1.0
C8 B:TCL603 4.4 11.7 1.0
O B:HOH441 4.6 26.4 1.0
CG B:LEU95 4.7 15.2 1.0
CG2 B:VAL154 4.8 6.8 1.0
CB B:SER92 4.8 11.4 1.0
N B:VAL94 4.8 13.8 1.0
N B:SER92 4.9 9.2 1.0
CD1 B:LEU95 4.9 21.5 1.0
O B:HOH320 4.9 19.7 1.0
CD2 B:LEU95 5.0 15.0 1.0

Chlorine binding site 6 out of 12 in 3oid

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Chlorine binding site 6 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp 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 III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:23.5
occ:1.00
 CL16 B:TCL603 0.0 23.5 1.0
C9 B:TCL603 1.8 13.9 1.0
C10 B:TCL603 2.7 12.6 1.0
C8 B:TCL603 2.8 11.7 1.0
O7 B:TCL603 2.9 12.9 1.0
O3 B:NDP503 3.3 11.6 1.0
O5D B:NDP503 3.3 11.6 1.0
CB B:ALA191 3.7 12.8 1.0
C2D B:NDP503 3.7 9.1 1.0
C3D B:NDP503 3.8 8.1 1.0
O B:ALA91 3.9 9.8 1.0
PN B:NDP503 4.0 11.6 1.0
C11 B:TCL603 4.0 16.2 1.0
CB B:ALA91 4.1 8.5 1.0
C13 B:TCL603 4.1 16.0 1.0
O B:HOH446 4.1 22.5 1.0
O2D B:NDP503 4.2 10.1 1.0
C5D B:NDP503 4.2 8.3 1.0
O2A B:NDP503 4.3 14.2 1.0
C5 B:TCL603 4.3 12.1 1.0
O2N B:NDP503 4.4 13.8 1.0
C B:ALA91 4.4 8.2 1.0
PA B:NDP503 4.4 13.2 1.0
C5B B:NDP503 4.4 10.3 1.0
C4D B:NDP503 4.5 7.3 1.0
O B:HOH320 4.6 19.7 1.0
C12 B:TCL603 4.6 14.2 1.0
CA B:ALA91 4.7 8.5 1.0
N B:ALA91 4.9 9.1 1.0
CA B:ALA191 4.9 13.6 1.0
O5B B:NDP503 5.0 10.4 1.0
C1D B:NDP503 5.0 6.8 1.0
O3D B:NDP503 5.0 8.7 1.0

Chlorine binding site 7 out of 12 in 3oid

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Chlorine binding site 7 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl604

b:16.3
occ:1.00
 CL14 C:TCL604 0.0 16.3 1.0
C2 C:TCL604 1.8 15.0 1.0
C3 C:TCL604 2.7 11.6 1.0
C1 C:TCL604 2.7 12.2 1.0
O C:HOH549 3.5 25.8 1.0
O7N C:NDP504 3.9 12.1 1.0
C6 C:TCL604 4.0 13.3 1.0
C4N C:NDP504 4.0 8.3 1.0
C4 C:TCL604 4.0 16.9 1.0
CD1 C:LEU148 4.1 16.6 1.0
CA C:ALA186 4.2 10.8 1.0
CB C:ALA186 4.4 10.9 1.0
CZ C:PHE195 4.4 19.9 1.0
C5 C:TCL604 4.5 13.1 1.0
N C:ALA186 4.5 10.6 1.0
C3N C:NDP504 4.7 9.6 1.0
CD1 C:LEU192 4.7 22.5 1.0
C7N C:NDP504 4.7 12.8 1.0
C5N C:NDP504 4.8 11.3 1.0
O C:GLY185 4.8 14.7 1.0
C C:GLY185 4.8 12.5 1.0
CE2 C:PHE195 4.9 21.0 1.0

Chlorine binding site 8 out of 12 in 3oid

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Chlorine binding site 8 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl604

b:24.6
occ:1.00
 CL15 C:TCL604 0.0 24.6 1.0
C11 C:TCL604 1.8 15.2 1.0
C10 C:TCL604 2.7 16.4 1.0
C12 C:TCL604 2.7 16.8 1.0
N C:GLY93 3.2 13.1 1.0
O C:GLY93 3.4 12.3 1.0
CD2 C:HIS194 3.5 33.2 1.0
C C:SER92 3.6 12.5 1.0
CA C:GLY93 3.7 11.2 1.0
C C:GLY93 3.8 11.8 1.0
CG C:HIS194 3.8 30.5 1.0
C9 C:TCL604 4.0 14.9 1.0
CA C:SER92 4.0 11.8 1.0
C13 C:TCL604 4.1 15.3 1.0
NE2 C:HIS194 4.1 35.5 1.0
CB C:HIS194 4.2 23.8 1.0
O C:SER92 4.3 13.4 1.0
OG C:SER92 4.4 14.3 1.0
O C:HOH378 4.4 32.2 1.0
C8 C:TCL604 4.5 11.0 1.0
ND1 C:HIS194 4.6 37.4 1.0
CE1 C:HIS194 4.7 36.7 1.0
O C:HOH295 4.8 14.8 1.0
N C:VAL94 4.8 10.9 1.0
CB C:SER92 4.9 13.3 1.0
CD1 C:LEU95 4.9 18.8 1.0
CG C:LEU95 4.9 19.3 1.0

Chlorine binding site 9 out of 12 in 3oid

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Chlorine binding site 9 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl604

b:23.9
occ:1.00
 CL16 C:TCL604 0.0 23.9 1.0
C9 C:TCL604 1.7 14.9 1.0
C10 C:TCL604 2.7 16.4 1.0
C8 C:TCL604 2.7 11.0 1.0
O7 C:TCL604 2.9 14.2 1.0
O5D C:NDP504 3.4 14.8 1.0
O3 C:NDP504 3.5 9.7 1.0
CB C:ALA191 3.5 14.3 1.0
O C:ALA91 3.7 9.8 1.0
C2D C:NDP504 3.9 9.1 1.0
C3D C:NDP504 3.9 8.0 1.0
C11 C:TCL604 3.9 15.2 1.0
CB C:ALA91 3.9 9.4 1.0
C13 C:TCL604 4.0 15.3 1.0
O C:HOH380 4.1 23.8 1.0
O C:HOH295 4.2 14.8 1.0
PN C:NDP504 4.2 13.0 1.0
C C:ALA91 4.2 9.7 1.0
O2D C:NDP504 4.3 11.6 1.0
C5 C:TCL604 4.3 13.1 1.0
O2A C:NDP504 4.4 13.3 1.0
C5D C:NDP504 4.4 13.1 1.0
C5B C:NDP504 4.5 12.2 1.0
C12 C:TCL604 4.5 16.8 1.0
O2N C:NDP504 4.5 15.2 1.0
CA C:ALA91 4.5 9.6 1.0
PA C:NDP504 4.6 15.0 1.0
CA C:ALA191 4.7 16.2 1.0
N C:ALA91 4.7 9.9 1.0
C4D C:NDP504 4.7 9.6 1.0
N C:SER92 4.9 10.3 1.0
C4 C:TCL604 5.0 16.9 1.0

Chlorine binding site 10 out of 12 in 3oid

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Chlorine binding site 10 out of 12 in the Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Enoyl-Acp Reductases III (Fabl) From B. Subtilis (Complex with Nadp and Tcl) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl602

b:16.3
occ:1.00
 CL14 D:TCL602 0.0 16.3 1.0
C2 D:TCL602 1.8 10.9 1.0
C1 D:TCL602 2.7 9.2 1.0
C3 D:TCL602 2.7 13.1 1.0
CD1 D:LEU148 3.9 14.7 1.0
O7N D:NDP502 4.0 11.6 1.0
C6 D:TCL602 4.0 11.4 1.0
C4 D:TCL602 4.0 14.3 1.0
C4N D:NDP502 4.1 10.2 1.0
CA D:ALA186 4.2 11.2 1.0
CB D:ALA186 4.4 11.5 1.0
CZ D:PHE195 4.4 20.8 1.0
N D:ALA186 4.5 10.2 1.0
C5 D:TCL602 4.5 13.9 1.0
C3N D:NDP502 4.7 10.1 1.0
C7N D:NDP502 4.8 12.2 1.0
C5N D:NDP502 4.8 10.5 1.0
C D:GLY185 4.8 12.7 1.0
CE2 D:PHE195 4.9 20.6 1.0
CB D:SER141 4.9 10.6 1.0
CD2 D:LEU192 5.0 26.8 1.0
CD1 D:LEU201 5.0 23.6 1.0
O D:GLY185 5.0 12.1 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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