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Chlorine in PDB 2wm2: Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride

Enzymatic activity of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride

All present enzymatic activity of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride:
1.13.11.48;

Protein crystallography data

The structure of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride, PDB code: 2wm2 was solved by R.A.Steiner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.38 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.770, 167.000, 166.940, 90.00, 90.00, 90.00
R / Rfree (%) 21.094 / 24.569

Other elements in 2wm2:

The structure of Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride also contains other interesting chemical elements:

Potassium (K) 4 atoms
Sodium (Na) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride (pdb code 2wm2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride, PDB code: 2wm2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2wm2

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Chlorine binding site 1 out of 8 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride


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 the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1281

b:44.0
occ:1.00
 N A:TRP36 3.2 36.1 1.0
O A:HOH2006 3.3 34.3 1.0
N A:HIS102 3.4 31.2 1.0
CB A:HIS102 3.5 31.3 1.0
CA A:GLY35 3.6 35.8 1.0
OG A:SER101 3.7 30.8 1.0
O A:HOH2017 3.7 19.0 1.0
CB A:SER101 3.8 30.9 1.0
CA A:HIS102 3.8 31.4 1.0
C A:GLY35 3.9 35.9 1.0
CD2 A:HIS102 3.9 30.8 1.0
CG A:HIS102 4.0 30.9 1.0
CB A:TRP36 4.1 36.6 1.0
CA A:TRP36 4.1 36.4 1.0
C A:HIS102 4.2 31.7 1.0
N A:GLY103 4.4 31.9 1.0
CD1 A:TRP36 4.4 38.5 1.0
C A:SER101 4.4 31.0 1.0
O A:TRP36 4.4 36.0 1.0
O A:HOH2007 4.4 30.0 1.0
O A:HIS100 4.5 31.7 1.0
CG A:TRP36 4.7 37.7 1.0
CA A:SER101 4.7 30.9 1.0
CD1 A:ILE192 4.8 36.7 1.0
C A:TRP36 4.8 36.3 1.0
CD2 A:HIS100 4.9 32.6 1.0
N A:GLY35 4.9 35.8 1.0
O A:HIS102 4.9 31.7 1.0

Chlorine binding site 2 out of 8 in 2wm2

Go back to Chlorine Binding Sites List in 2wm2
Chlorine binding site 2 out of 8 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride


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 the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1282

b:37.4
occ:1.00
 CZ A:PHE136 3.4 39.4 1.0
CE1 A:PHE136 3.4 39.0 1.0
CD1 A:ILE192 3.5 36.7 1.0
CD2 A:LEU140 3.7 40.5 1.0
CD1 A:LEU143 3.9 41.8 1.0
CD1 A:LEU156 4.1 31.3 1.0
CD2 A:HIS102 4.4 30.8 1.0
NE2 A:HIS102 4.5 31.4 1.0
CG A:LEU140 4.6 41.6 1.0
CE2 A:PHE136 4.6 39.7 1.0
CD1 A:PHE136 4.7 39.6 1.0
O A:HOH2017 4.7 19.0 1.0
CG2 A:ILE192 4.8 37.3 1.0
CD2 A:LEU156 4.8 32.7 1.0
CG1 A:ILE192 4.8 37.0 1.0

Chlorine binding site 3 out of 8 in 2wm2

Go back to Chlorine Binding Sites List in 2wm2
Chlorine binding site 3 out of 8 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride


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 the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1283

b:40.0
occ:1.00
 O A:HOH2011 3.0 20.7 1.0
NE1 A:TRP130 3.7 39.2 1.0
CB A:LYS133 3.8 43.6 1.0
CG A:LYS133 3.9 44.4 1.0
CD1 A:LEU128 4.1 34.1 1.0
CB A:PHE136 4.2 41.5 1.0
CD2 A:LEU128 4.4 34.7 1.0
CE2 A:TRP130 4.4 38.6 1.0
N A:LYS133 4.5 42.9 1.0
CZ2 A:TRP130 4.5 38.6 1.0
CD1 A:TRP130 4.7 38.8 1.0
CA A:LYS133 4.8 43.3 1.0
CG A:LEU128 4.9 34.8 1.0
N A:PHE136 5.0 42.0 1.0

Chlorine binding site 4 out of 8 in 2wm2

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Chlorine binding site 4 out of 8 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride


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 the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1284

b:31.4
occ:1.00
 O A:HOH2018 2.8 28.1 1.0
NE A:ARG121 3.4 41.2 1.0
NH2 A:ARG121 3.9 42.8 1.0
CZ A:ARG121 4.1 42.7 1.0
CG A:ARG121 4.2 38.9 1.0
CD A:ARG121 4.3 39.8 1.0
CB A:PRO120 4.3 38.8 1.0
O A:PRO120 4.7 39.4 1.0
CG A:PRO214 4.7 36.8 1.0
O A:ALA271 5.0 44.8 1.0
CA A:ILE272 5.0 45.8 1.0
CD A:PRO214 5.0 37.2 1.0

Chlorine binding site 5 out of 8 in 2wm2

Go back to Chlorine Binding Sites List in 2wm2
Chlorine binding site 5 out of 8 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride


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 the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1282

b:59.4
occ:1.00
 N B:TRP36 3.1 36.2 1.0
O B:HOH2004 3.2 17.3 1.0
O B:HOH2005 3.4 15.0 1.0
CA B:GLY35 3.6 35.8 1.0
N B:HIS102 3.8 31.2 1.0
OG B:SER101 3.8 30.8 1.0
C B:GLY35 3.8 36.0 1.0
CB B:SER101 3.8 30.9 1.0
O3 B:GOL1276 4.0 53.1 1.0
CB B:HIS102 4.0 31.2 1.0
O B:TRP36 4.0 36.0 1.0
CA B:TRP36 4.1 36.3 1.0
CB B:TRP36 4.2 36.6 1.0
CD2 B:HIS102 4.3 30.8 1.0
CA B:HIS102 4.3 31.4 1.0
CG B:HIS102 4.5 31.1 1.0
CD2 B:HIS100 4.5 32.6 1.0
C B:TRP36 4.6 36.3 1.0
O B:HIS100 4.6 31.7 1.0
O B:HOH2032 4.7 17.2 1.0
CD1 B:TRP36 4.7 38.5 1.0
C B:SER101 4.7 31.0 1.0
N B:GLY103 4.7 31.9 1.0
C B:HIS102 4.7 31.6 1.0
N B:GLY35 4.8 35.7 1.0
NE2 B:HIS100 4.8 32.5 1.0
CA B:SER101 4.9 30.9 1.0
CG B:TRP36 4.9 37.6 1.0
O B:GLY35 5.0 35.9 1.0

Chlorine binding site 6 out of 8 in 2wm2

Go back to Chlorine Binding Sites List in 2wm2
Chlorine binding site 6 out of 8 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride


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 the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1282

b:47.5
occ:1.00
 O C:HOH2006 3.1 39.0 1.0
OG C:SER101 3.5 31.2 1.0
CB C:SER101 3.7 31.0 1.0
N C:TRP36 3.7 36.2 1.0
CD2 C:HIS102 3.7 31.0 1.0
N C:HIS102 3.8 31.1 1.0
CB C:HIS102 3.9 31.3 1.0
O C:HOH2012 4.1 15.8 1.0
O C:HOH2049 4.2 57.4 1.0
CG C:HIS102 4.2 31.1 1.0
CA C:GLY35 4.3 35.8 1.0
CA C:HIS102 4.4 31.3 1.0
O C:TRP36 4.4 35.8 1.0
CB C:TRP36 4.5 36.5 1.0
C C:GLY35 4.5 35.8 1.0
CA C:TRP36 4.6 36.4 1.0
C C:SER101 4.8 31.0 1.0
CD1 C:ILE192 4.8 36.7 1.0
CD2 C:HIS100 4.8 32.4 1.0
CA C:SER101 4.9 31.0 1.0
NE2 C:HIS100 5.0 32.3 1.0
C C:HIS102 5.0 31.5 1.0
C C:TRP36 5.0 36.2 1.0

Chlorine binding site 7 out of 8 in 2wm2

Go back to Chlorine Binding Sites List in 2wm2
Chlorine binding site 7 out of 8 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride


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 the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1280

b:43.5
occ:1.00
 OG D:SER101 3.5 30.9 1.0
CB D:SER101 3.6 30.9 1.0
N D:TRP36 3.6 36.3 1.0
N D:HIS102 3.7 31.1 1.0
O D:HOH2010 3.9 37.4 1.0
CD2 D:HIS102 3.9 31.0 1.0
CB D:HIS102 4.0 31.3 1.0
CA D:GLY35 4.0 35.8 1.0
C D:GLY35 4.3 35.9 1.0
CG D:HIS102 4.3 31.2 1.0
CA D:HIS102 4.4 31.3 1.0
O D:TRP36 4.4 36.0 1.0
O D:HOH2017 4.4 22.6 1.0
CA D:TRP36 4.5 36.4 1.0
CB D:TRP36 4.5 36.5 1.0
CD2 D:HIS100 4.6 32.5 1.0
C D:SER101 4.7 31.0 1.0
CA D:SER101 4.7 31.0 1.0
NE2 D:HIS100 4.7 32.3 1.0
O D:HIS100 4.8 31.7 1.0
C D:HIS102 4.9 31.6 1.0
C D:TRP36 4.9 36.3 1.0
N D:GLY103 5.0 31.9 1.0

Chlorine binding site 8 out of 8 in 2wm2

Go back to Chlorine Binding Sites List in 2wm2
Chlorine binding site 8 out of 8 in the Crystal Structure of the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride


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 the Cofactor-Devoid 1-H-3-Hydroxy-4- Oxoquinaldine 2,4-Dioxygenase (Hod) From Arthrobacter Nitroguajacolicus RU61A in Complex with Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1302

b:53.5
occ:1.00
 CE D:LYS167 3.9 42.8 1.0
CD D:LYS167 4.8 41.6 1.0
NZ D:LYS167 4.9 42.4 1.0

Reference:

R.A.Steiner, H.J.Janssen, P.Roversi, A.J.Oakley, S.Fetzner. Structural Basis For Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold. Proc.Natl.Acad.Sci.Usa V. 107 657 2010.
ISSN: ISSN 0027-8424
PubMed: 20080731
DOI: 10.1073/PNAS.0909033107
Page generated: Sat Dec 12 09:23:42 2020

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