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Chlorine in PDB 6dll: 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.

Enzymatic activity of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.

All present enzymatic activity of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.:
1.14.13.2;

Protein crystallography data

The structure of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad., PDB code: 6dll was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.61 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.041, 152.300, 88.636, 90.00, 102.43, 90.00
R / Rfree (%) 16.7 / 22.2

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Chlorine atom in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. (pdb code 6dll). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad., PDB code: 6dll:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 20 in 6dll

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Chlorine binding site 1 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:47.1
occ:0.60
 CL A:CL402 0.0 47.1 0.6
CL A:CL402 2.0 37.5 0.4
O A:HOH697 2.9 41.5 1.0
N A:LEU389 3.3 40.2 1.0
NH2 A:ARG335 3.7 32.1 1.0
CA A:GLY388 3.9 36.8 1.0
CB A:LEU389 3.9 49.5 1.0
CG A:LEU389 4.0 53.0 1.0
O A:HOH589 4.1 35.0 1.0
CZ A:ARG335 4.1 31.8 1.0
C A:GLY388 4.1 37.9 1.0
CD A:LYS297 4.1 36.6 1.0
CD1 A:LEU389 4.1 53.6 1.0
CE A:LYS297 4.2 38.6 1.0
CA A:LEU389 4.2 44.6 1.0
O A:ASN385 4.2 32.6 1.0
CA A:GLY339 4.4 29.0 1.0
NH1 A:ARG335 4.5 29.5 1.0
N A:GLY339 4.5 29.5 1.0
NE A:ARG335 4.6 32.9 1.0
OE2 A:GLU49 4.6 33.0 1.0
O A:LEU389 4.7 44.4 1.0
CG A:ARG335 4.9 30.6 1.0
N A:GLY388 4.9 35.1 1.0
CB A:LYS338 4.9 34.6 1.0
C A:LYS338 4.9 31.1 1.0
OE1 A:GLU49 4.9 33.0 1.0
C A:LEU389 5.0 45.3 1.0

Chlorine binding site 2 out of 20 in 6dll

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Chlorine binding site 2 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:37.5
occ:0.40
 CL A:CL402 0.0 37.5 0.4
CL A:CL402 2.0 47.1 0.6
O A:HOH589 3.0 35.0 1.0
CA A:GLY339 3.4 29.0 1.0
CD2 A:LEU301 3.5 32.6 1.0
NH1 A:ARG335 3.5 29.5 1.0
N A:GLY339 3.6 29.5 1.0
CZ A:ARG335 3.7 31.8 1.0
O A:ARG335 3.7 28.4 1.0
CD A:LYS297 3.9 36.6 1.0
NH2 A:ARG335 3.9 32.1 1.0
O A:HOH697 4.0 41.5 1.0
CG A:ARG335 4.0 30.6 1.0
NE A:ARG335 4.3 32.9 1.0
CG A:LEU301 4.4 31.7 1.0
C A:LYS338 4.5 31.1 1.0
CE A:LYS297 4.6 38.6 1.0
C A:ARG335 4.7 29.1 1.0
CD A:ARG335 4.7 31.8 1.0
OE2 A:GLU49 4.7 33.0 1.0
C A:GLY339 4.9 28.6 1.0
CB A:LYS338 4.9 34.6 1.0
CG A:LYS297 4.9 34.9 1.0
N A:LEU389 4.9 40.2 1.0

Chlorine binding site 3 out of 20 in 6dll

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Chlorine binding site 3 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:25.9
occ:0.60
 CL B:CL402 0.0 25.9 0.6
CL B:CL402 1.9 28.4 0.4
N B:ALA395 3.4 50.2 1.0
CB B:ALA395 3.8 54.4 1.0
CB B:GLN327 3.9 32.3 1.0
CG B:GLN327 4.0 33.2 1.0
CD1 B:LEU324 4.0 34.6 1.0
CD1 B:LEU331 4.1 35.1 1.0
O B:HOH546 4.1 26.1 0.5
CG1 B:VAL394 4.1 44.9 1.0
CA B:ALA395 4.2 52.3 1.0
CA B:VAL394 4.3 45.7 1.0
C B:VAL394 4.3 48.0 1.0
CG B:LEU331 4.7 32.9 1.0
CB B:VAL394 4.8 44.3 1.0
CD2 B:LEU331 4.8 33.3 1.0
C B:ALA395 4.9 54.1 1.0
NE2 B:GLN327 4.9 32.3 1.0
CD B:GLN327 5.0 33.2 1.0
O B:GLU393 5.0 43.4 1.0

Chlorine binding site 4 out of 20 in 6dll

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Chlorine binding site 4 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:28.4
occ:0.40
 CL B:CL402 0.0 28.4 0.4
CL B:CL402 1.9 25.9 0.6
O B:HOH546 2.9 26.1 0.5
N B:ALA395 4.0 50.2 1.0
CB B:ALA395 4.0 54.4 1.0
CD2 B:LEU331 4.0 33.3 1.0
O B:GLU393 4.3 43.4 1.0
CD1 B:LEU331 4.4 35.1 1.0
CG B:LEU331 4.4 32.9 1.0
NH2 B:ARG334 4.6 30.7 1.0
CA B:ALA395 4.7 52.3 1.0
NE2 B:GLN327 4.7 32.3 1.0
CG B:GLN327 4.7 33.2 1.0
CB B:GLN327 4.7 32.3 1.0
CA B:VAL394 4.8 45.7 1.0
C B:VAL394 4.9 48.0 1.0
OE1 B:GLU392 5.0 39.4 1.0

Chlorine binding site 5 out of 20 in 6dll

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Chlorine binding site 5 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:42.8
occ:0.60
 CL B:CL403 0.0 42.8 0.6
CL B:CL403 1.9 50.4 0.4
OG1 B:THR103 3.0 49.2 1.0
N B:ARG44 3.4 43.2 1.0
N B:GLN102 3.4 34.2 1.0
O B:ALA45 3.4 38.6 1.0
N B:THR103 3.5 34.7 1.0
NE B:ARG214 3.7 48.6 1.0
CA B:GLY101 3.8 36.4 1.0
CB B:THR103 3.9 42.3 1.0
C B:GLY101 4.0 35.2 1.0
CG2 B:ILE43 4.0 42.8 1.0
CA B:ILE43 4.1 44.8 1.0
C B:ILE43 4.2 45.5 1.0
C B:ARG44 4.2 40.4 1.0
CA B:GLN102 4.2 33.0 1.0
O B:ARG44 4.2 40.0 1.0
CB B:GLN102 4.2 32.3 1.0
CD B:ARG214 4.3 49.7 1.0
CA B:THR103 4.3 37.5 1.0
CA B:ARG44 4.4 43.6 1.0
C B:GLN102 4.4 34.0 1.0
C B:ALA45 4.5 39.8 1.0
O B:ARG42 4.6 47.7 1.0
CD1 B:ILE43 4.6 46.3 1.0
N B:ALA45 4.6 40.0 1.0
CB B:ILE43 4.6 44.6 1.0
CZ B:ARG214 4.7 47.2 1.0
NH2 B:ARG214 4.8 45.2 1.0
CG B:ARG214 4.8 51.5 1.0
O B:GLY101 4.9 37.3 1.0

Chlorine binding site 6 out of 20 in 6dll

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Chlorine binding site 6 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:50.4
occ:0.40
 CL B:CL403 0.0 50.4 0.4
CL B:CL403 1.9 42.8 0.6
NE B:ARG214 3.4 48.6 1.0
CG B:ARG214 3.4 51.5 1.0
CD B:ARG214 3.4 49.7 1.0
OG1 B:THR103 3.8 49.2 1.0
CG2 B:ILE43 3.8 42.8 1.0
CA B:GLY101 4.0 36.4 1.0
CD1 B:ILE43 4.0 46.3 1.0
CB B:ARG214 4.3 53.3 1.0
CB B:THR103 4.3 42.3 1.0
CZ B:ARG214 4.6 47.2 1.0
N B:GLN102 4.7 34.2 1.0
CB B:ILE43 4.7 44.6 1.0
CA B:ILE43 4.7 44.8 1.0
O B:ALA45 4.7 38.6 1.0
N B:THR103 4.7 34.7 1.0
C B:GLY101 4.7 35.2 1.0
N B:ARG44 4.8 43.2 1.0
CD1 B:LEU189 4.9 49.6 1.0
CG1 B:ILE43 4.9 46.6 1.0

Chlorine binding site 7 out of 20 in 6dll

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Chlorine binding site 7 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:50.0
occ:0.60
 CL B:CL404 0.0 50.0 0.6
CL B:CL404 2.1 37.2 0.4
O B:HOH644 2.6 20.2 0.4
N B:LEU389 3.0 36.5 1.0
CB B:LEU389 3.5 39.9 1.0
CG B:LEU389 3.6 41.1 1.0
NH2 B:ARG335 3.6 31.9 1.0
CE B:LYS297 3.8 38.0 1.0
CA B:GLY388 3.8 32.9 1.0
CA B:LEU389 3.9 39.1 1.0
CD1 B:LEU389 3.9 43.3 1.0
C B:GLY388 3.9 35.0 1.0
CD B:LYS297 4.1 35.8 1.0
O B:ASN385 4.1 31.3 1.0
CZ B:ARG335 4.2 29.8 1.0
O B:HOH570 4.2 34.0 1.0
CA B:GLY339 4.5 26.6 1.0
N B:GLY339 4.6 26.9 1.0
OE2 B:GLU49 4.6 37.3 1.0
O B:LEU389 4.7 39.4 1.0
NE B:ARG335 4.7 29.7 1.0
C B:LEU389 4.7 38.4 1.0
NH1 B:ARG335 4.8 29.7 1.0
N B:GLY388 4.8 34.4 1.0
CB B:LYS338 4.9 30.6 1.0
C B:LYS338 4.9 28.6 1.0
OD1 B:ASN385 5.0 35.8 1.0
NZ B:LYS297 5.0 39.6 1.0

Chlorine binding site 8 out of 20 in 6dll

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Chlorine binding site 8 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:37.2
occ:0.40
 CL B:CL404 0.0 37.2 0.4
CL B:CL404 2.1 50.0 0.6
O B:HOH570 3.1 34.0 1.0
CA B:GLY339 3.5 26.6 1.0
CZ B:ARG335 3.5 29.8 1.0
NH2 B:ARG335 3.5 31.9 1.0
NH1 B:ARG335 3.5 29.7 1.0
N B:GLY339 3.6 26.9 1.0
CD2 B:LEU301 3.6 33.0 1.0
O B:ARG335 3.8 25.8 1.0
O B:HOH644 3.8 20.2 0.4
CD B:LYS297 3.9 35.8 1.0
CG B:ARG335 4.0 28.9 1.0
NE B:ARG335 4.1 29.7 1.0
CE B:LYS297 4.3 38.0 1.0
C B:LYS338 4.4 28.6 1.0
CG B:LEU301 4.6 31.5 1.0
N B:LEU389 4.7 36.5 1.0
CB B:LYS338 4.7 30.6 1.0
CD B:ARG335 4.7 29.7 1.0
OE2 B:GLU49 4.7 37.3 1.0
C B:ARG335 4.8 27.5 1.0
C B:GLY339 5.0 27.0 1.0
CB B:LEU389 5.0 39.9 1.0

Chlorine binding site 9 out of 20 in 6dll

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Chlorine binding site 9 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:60.9
occ:1.00
 NH2 B:ARG341 3.4 35.6 1.0
CE2 B:PHE345 3.7 36.4 1.0
CD2 B:PHE345 3.7 35.1 1.0
NH1 B:ARG341 3.8 32.9 1.0
ND2 B:ASN385 4.0 31.3 1.0
CZ B:PHE345 4.0 36.4 1.0
CZ B:ARG341 4.0 36.7 1.0
CB B:ASN381 4.1 43.1 1.0
CG B:PHE345 4.1 34.7 1.0
CD1 B:PHE342 4.3 27.8 1.0
O B:ASN381 4.3 41.6 1.0
C B:ASN381 4.4 38.7 1.0
CE1 B:PHE372 4.4 41.9 1.0
CE1 B:PHE345 4.4 37.6 1.0
CD1 B:PHE345 4.4 36.0 1.0
CE2 A:TYR371 4.5 36.8 1.0
CE1 B:PHE342 4.6 27.9 1.0
N B:ILE382 4.6 34.9 1.0
CG B:ASN385 4.8 32.6 1.0
CG1 B:ILE382 4.8 32.3 1.0
CA B:ASN381 4.8 39.5 1.0
CZ B:PHE372 4.8 43.7 1.0
CA B:ILE382 4.9 32.6 1.0
CB B:PHE345 4.9 32.3 1.0
CZ A:TYR371 4.9 37.3 1.0
OH A:TYR371 4.9 37.9 1.0
CZ A:PHE372 5.0 39.9 1.0
CD1 B:PHE372 5.0 39.1 1.0
CG B:ASN381 5.0 48.6 1.0

Chlorine binding site 10 out of 20 in 6dll

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Chlorine binding site 10 out of 20 in the 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:56.5
occ:0.60
 CL C:CL402 0.0 56.5 0.6
CL C:CL402 2.0 33.0 0.4
O C:HOH654 2.8 30.7 0.5
N C:LEU389 3.3 50.5 1.0
NH2 C:ARG335 3.7 46.8 1.0
O C:HOH533 3.8 44.2 1.0
CG C:LEU389 3.8 55.7 1.0
CB C:LEU389 3.8 55.6 1.0
CA C:GLY388 3.9 43.9 1.0
CE C:LYS297 4.0 41.2 1.0
CD C:LYS297 4.0 39.2 1.0
CD1 C:LEU389 4.1 56.7 1.0
CZ C:ARG335 4.1 46.3 1.0
C C:GLY388 4.1 47.9 1.0
O C:ASN385 4.2 38.7 1.0
CA C:LEU389 4.2 55.3 1.0
CA C:GLY339 4.4 34.5 1.0
OE2 C:GLU49 4.5 43.7 1.0
NH1 C:ARG335 4.5 43.6 1.0
N C:GLY339 4.5 35.6 1.0
NE C:ARG335 4.6 46.3 1.0
O C:LEU389 4.9 56.2 1.0
OE1 C:GLU49 4.9 40.5 1.0
C C:LYS338 4.9 36.9 1.0
N C:GLY388 5.0 42.8 1.0
C C:LEU389 5.0 58.1 1.0

Reference:

G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase From Pseudomonas Putida in Complex with Fad. To Be Published.
Page generated: Sat Jul 27 21:34:36 2024

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