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Chlorine in PDB 1f7t: Holo-(Acyl Carrier Protein) Synthase at 1.8A

Enzymatic activity of Holo-(Acyl Carrier Protein) Synthase at 1.8A

All present enzymatic activity of Holo-(Acyl Carrier Protein) Synthase at 1.8A:
2.7.8.7;

Protein crystallography data

The structure of Holo-(Acyl Carrier Protein) Synthase at 1.8A, PDB code: 1f7t was solved by K.D.Parris, L.Lin, A.Tam, R.Mathew, J.Hixon, M.Stahl, C.C.Fritz, J.Seehra, W.S.Somers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.262, 76.160, 85.693, 90.00, 93.32, 90.00
R / Rfree (%) 19.6 / 21.9

Other elements in 1f7t:

The structure of Holo-(Acyl Carrier Protein) Synthase at 1.8A also contains other interesting chemical elements:

Sodium (Na) 8 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Chlorine atom in the Holo-(Acyl Carrier Protein) Synthase at 1.8A (pdb code 1f7t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 19 binding sites of Chlorine where determined in the Holo-(Acyl Carrier Protein) Synthase at 1.8A, PDB code: 1f7t:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 19 in 1f7t

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Chlorine binding site 1 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl481

b:36.7
occ:1.00
 O A:HOH539 3.2 40.2 1.0
N A:LYS81 3.3 28.4 1.0
O A:HOH535 3.4 36.9 1.0
CA A:ARG80 3.6 26.9 1.0
CB A:ARG80 3.6 29.6 1.0
C A:ARG80 3.9 27.9 1.0
O A:LYS81 4.0 29.6 1.0
CG A:ARG80 4.1 31.0 1.0
CA A:LYS81 4.3 29.3 1.0
O A:HOH546 4.4 48.5 1.0
NE2 A:GLN37 4.5 34.5 1.0
CB A:LYS81 4.5 31.3 1.0
OE1 A:GLN37 4.5 34.9 1.0
C A:LYS81 4.7 29.9 1.0
O A:HOH523 4.7 32.3 1.0
CD A:GLN37 4.8 34.4 1.0
CD A:ARG80 4.8 35.1 1.0
O A:ILE79 4.9 24.9 1.0
N A:ARG80 4.9 26.9 1.0

Chlorine binding site 2 out of 19 in 1f7t

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Chlorine binding site 2 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl487

b:21.1
occ:1.00
 OG A:SER102 3.1 18.6 1.0
O A:HOH576 3.1 47.5 1.0
NZ A:LYS86 3.3 23.9 1.0
CA A:SER102 3.4 19.5 1.0
N A:ILE103 3.5 19.9 1.0
CG A:PRO87 3.6 26.6 1.0
CD A:PRO87 3.7 26.3 1.0
CB A:SER102 3.7 18.8 1.0
C1 A:DTT501 3.7 67.9 1.0
CB B:LYS62 3.7 23.0 1.0
CE B:LYS62 3.9 33.7 1.0
CG B:LYS62 4.0 27.4 1.0
CD A:LYS86 4.0 24.9 1.0
C A:SER102 4.0 20.4 1.0
CE A:LYS86 4.0 24.5 1.0
O A:ILE103 4.1 21.0 1.0
O A:VAL101 4.3 19.3 1.0
CD B:LYS62 4.3 30.4 1.0
S1 A:DTT501 4.5 67.0 1.0
CA B:LYS62 4.6 21.5 1.0
O B:LYS62 4.6 22.2 1.0
N A:SER102 4.6 19.2 1.0
NZ B:LYS62 4.6 35.0 1.0
CA A:ILE103 4.6 19.7 1.0
C A:ILE103 4.8 20.3 1.0
N A:PRO87 4.9 24.8 1.0
C A:VAL101 4.9 20.4 1.0
C B:LYS62 4.9 22.1 1.0
O B:ILE5 5.0 18.9 1.0

Chlorine binding site 3 out of 19 in 1f7t

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Chlorine binding site 3 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl493

b:30.8
occ:1.00
 OH B:TYR109 2.9 28.1 1.0
O B:HOH540 3.0 36.3 1.0
OG1 A:THR106 3.2 25.0 1.0
N A:GLU108 3.3 24.8 1.0
CE1 B:TYR109 3.5 25.6 1.0
N A:LYS107 3.6 25.4 1.0
CB A:THR106 3.6 25.8 1.0
CZ B:TYR109 3.7 25.2 1.0
CB A:LYS107 3.8 25.1 1.0
CB A:GLU108 3.8 27.8 1.0
CD B:GLU11 3.9 32.6 1.0
OE1 B:GLU11 3.9 32.2 1.0
CA A:LYS107 4.0 25.4 1.0
O B:HOH523 4.0 28.0 1.0
CG A:GLU108 4.0 34.8 1.0
CG B:GLU11 4.1 28.3 1.0
C A:LYS107 4.1 25.9 1.0
CA A:GLU108 4.1 25.2 1.0
C A:THR106 4.3 25.7 1.0
OE2 B:GLU11 4.4 33.7 1.0
CB B:GLU11 4.4 26.5 1.0
CD2 A:TYR109 4.5 24.9 1.0
CD A:GLU108 4.5 39.8 1.0
CA A:THR106 4.6 24.5 1.0
CG2 A:THR106 4.7 24.5 1.0
N A:TYR109 4.8 21.9 1.0
O B:HOH565 4.8 57.7 1.0
CD1 B:TYR109 4.8 24.5 1.0
CE2 A:TYR109 4.8 27.1 1.0
OE2 A:GLU108 4.9 42.2 1.0
C A:GLU108 4.9 24.2 1.0

Chlorine binding site 4 out of 19 in 1f7t

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Chlorine binding site 4 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl494

b:29.3
occ:1.00
 NA C:NA474 2.9 31.3 1.0
O A:HOH525 3.0 28.9 1.0
N A:GLU11 3.3 25.0 1.0
NE A:ARG14 3.4 44.0 1.0
NH2 A:ARG14 3.5 44.5 1.0
CA A:THR10 3.7 22.8 1.0
CZ A:ARG14 3.9 45.4 1.0
O A:ILE9 3.9 18.6 1.0
O C:HOH564 3.9 42.2 1.0
CA C:THR106 4.0 25.1 1.0
O A:HOH526 4.0 33.8 1.0
CG2 C:THR106 4.0 24.6 1.0
C A:THR10 4.0 22.7 1.0
CB C:THR106 4.1 25.6 1.0
CB A:GLU11 4.1 28.5 1.0
O C:HIS105 4.1 22.8 1.0
CG2 A:THR10 4.2 26.3 1.0
CA A:GLU11 4.3 25.8 1.0
CB A:ARG14 4.5 38.1 1.0
CB A:THR10 4.5 25.3 1.0
CD A:ARG14 4.5 42.9 1.0
CG A:ARG14 4.5 41.0 1.0
N A:THR10 4.7 20.9 1.0
C A:ILE9 4.7 20.6 1.0
OG1 A:THR10 4.8 26.5 1.0
O A:GLU11 4.9 24.9 1.0
C C:HIS105 5.0 22.7 1.0
N C:THR106 5.0 24.3 1.0
C C:THR106 5.0 25.8 1.0

Chlorine binding site 5 out of 19 in 1f7t

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Chlorine binding site 5 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl484

b:30.1
occ:1.00
 NA B:NA473 2.9 24.8 1.0
O B:HOH519 3.0 25.5 1.0
O B:HOH510 3.1 43.1 1.0
N B:VAL101 3.4 20.1 1.0
CL C:CL491 3.7 26.4 1.0
O B:PRO87 3.7 23.4 1.0
O B:VAL101 3.7 20.4 1.0
CG1 B:VAL101 3.8 19.5 1.0
CA B:HIS100 3.9 20.9 1.0
O B:HOH529 3.9 30.1 1.0
CA B:TYR88 4.1 22.2 1.0
CB B:TYR88 4.1 22.5 1.0
C B:HIS100 4.1 19.7 1.0
O B:VAL99 4.2 23.7 1.0
CA B:VAL101 4.4 18.6 1.0
C B:VAL101 4.5 19.2 1.0
CB B:VAL101 4.6 18.2 1.0
CB B:HIS100 4.6 22.6 1.0
C B:PRO87 4.7 24.7 1.0
N B:TYR88 4.9 22.6 1.0
N B:HIS100 4.9 21.9 1.0
C B:VAL99 5.0 22.9 1.0

Chlorine binding site 6 out of 19 in 1f7t

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Chlorine binding site 6 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl490

b:27.8
occ:1.00
 NA A:NA472 2.9 26.2 1.0
NE B:ARG14 3.1 38.5 1.0
O B:HOH523 3.1 28.0 1.0
N B:GLU11 3.2 23.3 1.0
NH2 B:ARG14 3.6 39.8 1.0
CA B:THR10 3.7 22.1 1.0
CZ B:ARG14 3.8 40.0 1.0
O B:ILE9 3.9 20.5 1.0
O A:HOH536 3.9 34.7 1.0
O B:HOH569 3.9 63.1 1.0
CB B:GLU11 3.9 26.5 1.0
C B:THR10 4.0 22.0 1.0
O B:HOH528 4.0 30.8 1.0
CA A:THR106 4.0 24.5 1.0
CG2 A:THR106 4.0 24.5 1.0
CD B:ARG14 4.0 36.2 1.0
CB A:THR106 4.1 25.8 1.0
O A:HIS105 4.1 23.9 1.0
CA B:GLU11 4.2 24.4 1.0
CG2 B:THR10 4.3 25.4 1.0
O B:HOH568 4.4 48.9 1.0
CB B:THR10 4.5 23.0 1.0
N B:THR10 4.6 20.8 1.0
C B:ILE9 4.6 20.4 1.0
CB B:ARG14 4.7 32.1 1.0
OG1 B:THR10 4.9 25.0 1.0
N A:THR106 5.0 24.2 1.0
C A:HIS105 5.0 24.7 1.0
CG B:ARG14 5.0 34.9 1.0
N A:LYS107 5.0 25.4 1.0
O B:GLU11 5.0 22.9 1.0
C A:THR106 5.0 25.7 1.0

Chlorine binding site 7 out of 19 in 1f7t

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Chlorine binding site 7 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl483

b:28.3
occ:1.00
 NA B:NA479 2.9 28.6 1.0
NE C:ARG14 3.0 39.1 1.0
O C:HOH539 3.1 26.5 1.0
N C:GLU11 3.2 23.6 1.0
NH2 C:ARG14 3.7 40.0 1.0
CA C:THR10 3.7 22.2 1.0
CZ C:ARG14 3.8 39.4 1.0
O C:ILE9 3.9 21.2 1.0
O C:HOH551 3.9 32.8 1.0
CB C:GLU11 3.9 25.7 1.0
CD C:ARG14 3.9 36.5 1.0
CG2 B:THR106 4.0 24.9 1.0
C C:THR10 4.0 22.5 1.0
CA B:THR106 4.1 24.8 1.0
CB B:THR106 4.1 24.1 1.0
O B:HIS105 4.2 23.8 1.0
CA C:GLU11 4.2 25.1 1.0
O B:HOH544 4.3 38.4 1.0
CG2 C:THR10 4.4 24.9 1.0
CB C:THR10 4.5 23.8 1.0
CB C:ARG14 4.6 31.2 1.0
N C:THR10 4.7 20.8 1.0
C C:ILE9 4.7 20.1 1.0
OG1 C:THR10 4.7 22.7 1.0
O C:GLU11 4.8 25.5 1.0
CG C:ARG14 4.9 33.6 1.0

Chlorine binding site 8 out of 19 in 1f7t

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Chlorine binding site 8 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl489

b:22.4
occ:1.00
 O C:HOH519 2.9 42.5 1.0
OG C:SER102 3.0 19.9 1.0
NZ C:LYS86 3.3 21.4 1.0
CA C:SER102 3.4 17.4 1.0
N C:ILE103 3.5 16.7 1.0
CD C:PRO87 3.6 21.1 1.0
CG C:PRO87 3.7 23.4 1.0
CB C:SER102 3.7 18.1 1.0
C1 C:DTT502 3.7 53.8 1.0
CB A:LYS62 3.8 22.2 1.0
CD A:LYS62 3.9 29.0 1.0
CE C:LYS86 4.0 21.8 1.0
CD C:LYS86 4.0 22.6 1.0
CG A:LYS62 4.0 25.3 1.0
C C:SER102 4.0 17.1 1.0
O C:ILE103 4.1 18.1 1.0
O C:VAL101 4.3 15.9 1.0
N C:SER102 4.6 16.9 1.0
CE A:LYS62 4.6 32.7 1.0
S1 C:DTT502 4.6 53.6 1.0
CA A:LYS62 4.7 22.4 1.0
O2 C:DTT502 4.7 56.1 1.0
CA C:ILE103 4.7 16.8 1.0
O A:LYS62 4.8 21.9 1.0
C2 C:DTT502 4.8 54.9 1.0
C C:ILE103 4.8 17.1 1.0
C C:VAL101 4.9 16.8 1.0
N C:PRO87 4.9 20.6 1.0
O A:ILE5 4.9 16.9 1.0
C A:LYS62 5.0 22.4 1.0

Chlorine binding site 9 out of 19 in 1f7t

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Chlorine binding site 9 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl491

b:26.4
occ:1.00
 NA B:NA473 2.8 24.8 1.0
O B:HOH510 2.9 43.1 1.0
N C:ILE5 3.2 17.8 1.0
O C:HOH543 3.4 29.7 1.0
CA C:GLY4 3.5 20.4 1.0
CL B:CL484 3.7 30.1 1.0
O C:ILE5 3.7 16.5 1.0
CB B:HIS100 3.8 22.6 1.0
C C:GLY4 3.8 18.4 1.0
CG1 C:ILE5 4.0 16.9 1.0
ND1 B:HIS100 4.0 26.3 1.0
O B:VAL101 4.0 20.4 1.0
CA C:ILE5 4.3 17.0 1.0
CG B:HIS100 4.3 24.7 1.0
N B:VAL101 4.3 20.1 1.0
CA B:HIS100 4.4 20.9 1.0
C C:ILE5 4.4 17.2 1.0
O C:TYR3 4.5 22.3 1.0
CB C:ILE5 4.6 16.5 1.0
N C:GLY4 4.7 21.3 1.0
C B:HIS100 4.8 19.7 1.0
O C:HOH568 4.8 39.5 1.0
C B:VAL101 4.9 19.2 1.0
CG2 C:ILE5 5.0 17.1 1.0
O B:HOH529 5.0 30.1 1.0

Chlorine binding site 10 out of 19 in 1f7t

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Chlorine binding site 10 out of 19 in the Holo-(Acyl Carrier Protein) Synthase at 1.8A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Holo-(Acyl Carrier Protein) Synthase at 1.8A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl498

b:41.9
occ:1.00
 O F:HOH530 2.9 26.6 1.0
O F:HOH548 3.2 44.1 1.0
O C:HOH570 3.2 50.5 1.0
NH1 C:ARG32 3.3 26.3 1.0
N F:ARG32 3.8 27.6 1.0
CD C:ARG32 3.8 25.1 1.0
CB F:THR31 3.9 25.5 1.0
CB F:ARG32 4.0 33.0 1.0
CZ C:ARG32 4.4 26.0 1.0
OE2 F:GLU78 4.4 29.9 1.0
O C:HOH559 4.5 37.4 1.0
CA F:ARG32 4.5 29.5 1.0
NE C:ARG32 4.6 25.7 1.0
CA F:THR31 4.6 25.2 1.0
CG2 F:THR31 4.6 24.3 1.0
C F:THR31 4.7 26.0 1.0
OG1 F:THR31 4.7 24.3 1.0
CB C:ARG32 5.0 24.8 1.0

Reference:

K.D.Parris, L.Lin, A.Tam, R.Mathew, J.Hixon, M.Stahl, C.C.Fritz, J.Seehra, W.S.Somers. Crystal Structures of Substrate Binding to Bacillus Subtilis Holo-(Acyl Carrier Protein) Synthase Reveal A Novel Trimeric Arrangement of Molecules Resulting in Three Active Sites. Structure Fold.Des. V. 8 883 2000.
ISSN: ISSN 0969-2126
PubMed: 10997907
DOI: 10.1016/S0969-2126(00)00178-7
Page generated: Fri Jul 19 21:56:04 2024

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