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Chlorine in PDB 4jq9: Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex

Enzymatic activity of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex

All present enzymatic activity of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex:
1.8.1.4;

Protein crystallography data

The structure of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex, PDB code: 4jq9 was solved by M.Tietzel, P.Neumann, D.Meyer, R.Ficner, K.Tittmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.52 / 2.17
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 111.680, 129.320, 258.340, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 20.8

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex (pdb code 4jq9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex, PDB code: 4jq9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 4jq9

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Chlorine binding site 1 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl508

b:85.5
occ:0.95
 O A:HOH952 2.0 63.3 1.0
O A:HOH936 2.4 52.1 1.0
O A:HOH989 2.7 63.6 1.0
CG A:GLU245 3.7 78.9 1.0
N A:GLU245 3.8 60.1 1.0
CA A:LYS244 4.1 58.5 1.0
OE2 A:GLU245 4.3 91.8 1.0
CB A:LYS244 4.3 61.0 1.0
CD A:GLU245 4.4 89.4 1.0
C A:LYS244 4.5 58.7 1.0
CB A:GLU245 4.5 66.8 1.0
CA A:GLU245 4.7 60.0 1.0
CG A:LYS244 4.8 67.0 1.0
O A:ALA243 5.0 58.5 1.0

Chlorine binding site 2 out of 11 in 4jq9

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Chlorine binding site 2 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl509

b:64.4
occ:0.84
 O A:HOH937 2.0 42.9 1.0
O A:HOH938 2.2 52.5 1.0
O A:VAL238 3.8 47.6 1.0
CD1 A:LEU152 4.1 38.5 1.0
N A:VAL238 4.2 42.5 1.0
CB A:LYS237 4.4 50.4 1.0
CZ A:PHE154 4.6 40.9 1.0
CE A:MET181 4.6 33.2 1.0
C A:VAL238 4.7 45.8 1.0
CB A:VAL238 4.8 40.7 1.0
CA A:VAL238 4.8 43.8 1.0
CA A:LYS237 5.0 47.3 1.0

Chlorine binding site 3 out of 11 in 4jq9

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Chlorine binding site 3 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl505

b:65.4
occ:0.94
 O C:HOH896 2.3 58.8 1.0
O C:HOH719 3.1 32.2 1.0
CE C:LYS85 4.1 61.2 1.0
CG C:LYS85 4.5 43.5 1.0
CD C:LYS85 4.6 52.3 1.0
NZ C:LYS85 4.7 65.7 1.0
O C:HOH850 4.8 47.5 1.0

Chlorine binding site 4 out of 11 in 4jq9

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Chlorine binding site 4 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl506

b:68.5
occ:1.00
 O C:HOH887 2.4 56.9 1.0
O C:HOH611 3.5 31.1 1.0
N C:GLY283 3.5 36.2 1.0
O C:HOH776 3.8 53.8 1.0
N C:ALA282 4.0 40.0 1.0
O C:HOH925 4.0 59.7 1.0
CA C:GLY283 4.1 42.1 1.0
O C:HOH757 4.3 47.6 1.0
CA C:ASP281 4.4 39.0 1.0
C C:ASP281 4.4 41.3 1.0
C C:ALA282 4.6 38.3 1.0
CA C:ALA282 4.7 39.0 1.0
N C:ASP281 4.8 34.6 1.0
O C:LYS278 4.9 44.6 1.0
CB C:ALA282 4.9 39.0 1.0

Chlorine binding site 5 out of 11 in 4jq9

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Chlorine binding site 5 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:67.4
occ:0.86
 O C:HOH923 2.4 57.1 1.0
O C:HOH917 2.8 58.7 1.0
ND1 C:HIS307 3.3 45.8 1.0
CD C:PRO306 3.6 52.7 1.0
CB C:PRO306 3.7 52.9 1.0
N C:HIS307 3.7 37.8 1.0
CG C:PRO306 3.8 56.4 1.0
CB C:HIS307 4.0 39.6 1.0
CG C:HIS307 4.1 43.3 1.0
N C:PRO306 4.2 46.8 1.0
CE1 C:HIS307 4.3 43.4 1.0
CA C:PRO306 4.3 47.3 1.0
C C:PRO306 4.4 47.3 1.0
CA C:HIS307 4.5 36.7 1.0

Chlorine binding site 6 out of 11 in 4jq9

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Chlorine binding site 6 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl508

b:76.8
occ:1.00
 O C:HOH890 2.7 60.0 1.0
NE C:ARG263 3.3 47.1 1.0
NH2 C:ARG263 3.4 49.2 1.0
CZ C:ARG263 3.8 49.4 1.0
O C:HOH671 4.3 55.5 1.0
CD C:ARG263 4.4 43.7 1.0
CB C:ARG263 4.6 39.5 1.0
CD C:ARG177 4.7 45.3 1.0
NH1 C:ARG177 4.8 30.4 1.0
O C:ARG263 4.9 35.2 1.0

Chlorine binding site 7 out of 11 in 4jq9

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Chlorine binding site 7 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl507

b:70.8
occ:1.00
 CD E:LYS299 3.3 67.5 1.0
CB E:ASP298 3.7 49.0 1.0
N E:LYS299 3.9 47.1 1.0
CA E:ASP298 4.3 46.8 1.0
CE E:LYS299 4.3 69.0 1.0
CG E:LYS299 4.3 61.2 1.0
CB E:LYS299 4.4 56.9 1.0
C E:ASP298 4.6 44.6 1.0
CG E:ASP298 4.7 48.4 1.0
CA E:LYS299 4.8 52.4 1.0

Chlorine binding site 8 out of 11 in 4jq9

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Chlorine binding site 8 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl508

b:43.6
occ:0.82
 O E:HOH797 2.8 48.6 1.0
N E:GLN317 3.1 43.0 1.0
NH1 E:ARG296 3.5 50.6 1.0
CA E:GLY316 3.7 37.0 1.0
CB E:GLN317 3.8 54.6 1.0
CG E:GLN317 3.8 65.4 1.0
NH2 E:ARG296 3.8 52.1 1.0
NH2 E:ARG292 3.9 61.3 1.0
C E:GLY316 3.9 38.7 1.0
CA E:GLN317 4.1 46.0 1.0
CZ E:ARG296 4.1 54.3 1.0
CZ E:PHE294 4.4 35.5 1.0
CE1 E:PHE294 4.5 35.6 1.0
CE2 E:PHE294 4.7 34.1 1.0
O E:GLN317 4.7 38.3 1.0
C E:GLN317 4.9 38.1 1.0
CD1 E:PHE294 4.9 36.4 1.0

Chlorine binding site 9 out of 11 in 4jq9

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Chlorine binding site 9 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl509

b:59.3
occ:0.84
 O E:HOH799 2.4 63.2 1.0
OG1 E:THR124 3.1 64.1 1.0
N E:ASN123 3.7 61.5 1.0
N E:ALA122 3.7 61.3 1.0
CA E:GLY121 3.7 55.2 1.0
C E:GLY121 3.9 56.6 1.0
CB E:THR124 4.1 62.9 1.0
N E:THR124 4.1 56.0 1.0
CA E:ASN123 4.3 60.1 1.0
C E:ASN123 4.3 57.6 1.0
CB E:ASN123 4.4 59.4 1.0
C E:ALA122 4.6 58.5 1.0
CA E:ALA122 4.6 59.2 1.0
N E:GLY121 4.7 56.4 1.0
CA E:THR124 4.8 58.9 1.0
O E:GLY121 4.8 52.5 1.0
O E:ASN123 4.9 54.8 1.0

Chlorine binding site 10 out of 11 in 4jq9

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Chlorine binding site 10 out of 11 in the Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl505

b:76.0
occ:1.00
 NH1 F:ARG263 3.3 63.3 1.0
NE F:ARG263 3.7 58.8 1.0
CZ F:ARG263 4.0 60.0 1.0
NH1 F:ARG177 4.4 59.9 1.0
CD F:ARG177 4.7 61.2 1.0
CB F:ARG263 4.9 50.9 1.0
CD F:ARG263 5.0 57.8 1.0

Reference:

M.Tietzel, D.Meyer, K.Schroeder-Tittmann, P.Neumann, R.Ficner, K.Tittmann. Dihydrolipoyl Dehydrogenase of Escherichia Coli Pyruvate Dehydrogenase Complex To Be Published.
Page generated: Sun Jul 21 17:37:03 2024

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