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Chlorine in PDB 5xuh: Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa

Enzymatic activity of Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa

All present enzymatic activity of Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa:
2.7.8.7;

Protein crystallography data

The structure of Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa, PDB code: 5xuh was solved by Y.P.Liao, D.L.Wang, D.P.Yin, Q.Y.Zhang, Y.M.Wang, D.Q.Wang, H.X.Zhu, S.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.02
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 97.800, 97.800, 95.380, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 20.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa (pdb code 5xuh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa, PDB code: 5xuh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5xuh

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Chlorine binding site 1 out of 5 in the Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa


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 Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:27.8
occ:1.00
 N A:VAL47 3.3 13.5 1.0
C A:GLN45 3.4 16.1 1.0
CA A:GLN45 3.4 18.4 1.0
N A:ARG48 3.5 12.6 1.0
CB A:VAL47 3.6 16.2 1.0
N A:PRO46 3.6 14.4 1.0
CB A:GLN45 3.6 20.1 1.0
CG A:ARG48 3.6 14.5 0.5
O A:GLN45 3.8 14.8 1.0
CD A:PRO46 3.8 15.1 1.0
CA A:VAL47 3.9 14.0 1.0
CG2 A:VAL47 4.0 18.4 1.0
C A:VAL47 4.2 12.7 1.0
CG A:GLN45 4.2 23.1 1.0
CB A:ARG48 4.2 13.0 0.5
CB A:ARG48 4.2 13.6 0.5
C A:PRO46 4.3 12.9 1.0
CD A:ARG48 4.5 15.3 0.5
CA A:ARG48 4.5 12.6 0.5
CA A:ARG48 4.5 12.8 0.5
CA A:PRO46 4.5 14.1 1.0
CG A:PRO46 4.6 14.7 1.0
O A:HOH358 4.7 34.4 1.0
CG1 A:VAL47 4.8 16.1 1.0
O A:HOH338 4.8 27.5 1.0
N A:GLN45 4.9 19.9 1.0

Chlorine binding site 2 out of 5 in 5xuh

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Chlorine binding site 2 out of 5 in the Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa


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 Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:45.7
occ:1.00
 O A:HOH388 2.8 40.5 1.0
O A:HOH397 3.3 40.6 1.0
O A:HOH367 3.6 27.2 1.0
O A:HOH379 3.8 40.6 1.0
NZ A:LYS52 3.9 26.0 1.0
CE A:LYS52 3.9 21.5 1.0
NH1 A:ARG53 4.1 29.8 1.0
O A:HOH322 4.2 27.4 1.0
OD1 A:ASN81 4.2 37.0 1.0
CD2 A:LEU111 4.3 20.5 1.0
CD1 A:LEU111 4.3 24.2 1.0
ND2 A:ASN81 4.4 39.7 1.0
O A:HOH303 4.4 25.7 1.0
CG A:LEU111 4.7 21.7 1.0
CG A:ASN81 4.8 37.1 1.0

Chlorine binding site 3 out of 5 in 5xuh

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Chlorine binding site 3 out of 5 in the Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa


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 Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:81.7
occ:1.00
 NH1 A:ARG115 3.0 59.2 1.0
O A:HOH318 3.1 11.5 1.0
O A:HOH394 3.2 35.2 1.0
ND1 A:HIS116 3.3 18.9 1.0
CZ A:ARG115 3.6 52.0 1.0
O A:ARG115 3.8 14.3 1.0
NH2 A:ARG115 3.9 55.1 1.0
CE1 A:HIS116 4.0 21.6 1.0
CA A:HIS116 4.2 12.3 1.0
N A:ALA14 4.2 11.2 1.0
CG A:HIS116 4.3 16.7 1.0
CB A:ALA14 4.3 12.3 1.0
CA A:ALA14 4.6 12.0 1.0
CB A:ILE13 4.6 11.1 1.0
CB A:HIS116 4.6 13.7 1.0
O A:HOH405 4.6 31.3 1.0
C A:ARG115 4.6 14.6 1.0
CG2 A:ILE13 4.6 11.7 1.0
NE A:ARG115 4.6 44.5 1.0
O A:HOH315 4.7 18.1 1.0
O A:HOH406 4.8 26.9 1.0
O A:HOH338 4.8 27.5 1.0
C A:ILE13 4.9 10.6 1.0
N A:HIS116 4.9 12.7 1.0
O A:HIS116 5.0 9.9 1.0

Chlorine binding site 4 out of 5 in 5xuh

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Chlorine binding site 4 out of 5 in the Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa


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 Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:39.5
occ:1.00
 OE2 B:GLU78 2.9 28.1 1.0
N B:ASN35 2.9 22.0 1.0
O B:HOH359 3.0 29.8 1.0
ND2 B:ASN35 3.2 29.4 1.0
CG B:ASN35 3.2 29.1 1.0
N B:ASP34 3.3 23.1 1.0
OG B:SER33 3.5 23.9 1.0
CB B:ASN35 3.6 26.7 1.0
CB B:SER33 3.6 23.4 1.0
CD B:GLU78 3.6 25.9 1.0
CB B:ASP34 3.6 24.0 1.0
OD1 B:ASN35 3.7 29.4 1.0
CA B:ASP34 3.7 23.3 1.0
C B:ASP34 3.8 21.7 1.0
CA B:ASN35 3.8 23.9 1.0
OE1 B:GLU78 4.0 26.9 1.0
C B:SER33 4.0 22.4 1.0
NE1 B:TRP92 4.1 30.6 1.0
CZ2 B:TRP92 4.2 33.2 1.0
CE2 B:TRP92 4.3 32.0 1.0
CA B:SER33 4.4 22.5 1.0
CG B:ASP34 4.5 25.2 1.0
OD1 B:ASP34 4.6 28.4 1.0
CG B:GLU78 4.7 22.7 1.0
O B:SER33 4.9 21.6 1.0
N B:GLU36 4.9 21.0 1.0
O B:ASP34 5.0 22.6 1.0
C B:ASN35 5.0 22.5 1.0

Chlorine binding site 5 out of 5 in 5xuh

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Chlorine binding site 5 out of 5 in the Crystal Structure of Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa


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 Escherichia Coli Holo-[Acyl-Carrier-Protein] Synthase (Acps) D9A Mutant in Complex with Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:27.8
occ:1.00
 NH1 C:ARG15 3.1 13.8 0.6
CB C:ALA18 3.6 14.1 1.0
CD C:ARG15 3.9 13.2 0.6
CZ C:ARG15 4.2 14.0 0.6
NE C:ARG15 4.5 13.5 0.6
O B:HOH363 4.7 22.0 1.0
O C:HOH374 4.9 28.9 1.0

Reference:

Y.P.Liao, D.L.Wang, D.P.Yin, Q.Y.Zhang, Y.M.Wang, D.Q.Wang, H.X.Zhu, S.Chen. Crystal Structures of Acyl Carrier Protein Synthases (Acps) From Three Gram-Negative Bacteria To Be Published.
Page generated: Fri Jul 26 21:09:39 2024

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