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Chlorine in PDB 4d4f: Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus

Enzymatic activity of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus

All present enzymatic activity of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus:
5.5.1.6;

Protein crystallography data

The structure of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus, PDB code: 4d4f was solved by M.Thomsen, H.Kratzat, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 143.47 / 2.34
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 175.400, 201.461, 204.376, 90.00, 90.00, 90.00
R / Rfree (%) 14.661 / 17.486

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus (pdb code 4d4f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus, PDB code: 4d4f:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 4d4f

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Chlorine binding site 1 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:59.8
occ:1.00
 N A:ASP247 3.3 33.0 1.0
O A:HOH2281 3.4 25.3 1.0
OD2 A:ASP247 3.8 49.0 1.0
CG A:ASP247 3.8 44.3 1.0
CB A:GLN246 3.9 31.0 1.0
CA A:GLN246 3.9 31.3 1.0
CB A:ASP247 4.0 38.9 1.0
C A:GLN246 4.1 32.1 1.0
CA A:ASP247 4.3 35.1 1.0
OD1 A:ASP247 4.3 47.0 1.0
O A:HOH2282 4.8 41.7 1.0
O A:HOH2141 4.9 35.7 1.0
O A:HOH2275 4.9 38.2 1.0

Chlorine binding site 2 out of 16 in 4d4f

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Chlorine binding site 2 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:63.0
occ:1.00
 N A:GLU19 3.2 27.7 1.0
O A:HOH2121 3.6 35.3 1.0
OG A:SER18 3.7 31.3 1.0
CA A:SER18 3.9 28.9 1.0
CB A:GLU19 3.9 28.6 1.0
C A:SER18 4.1 28.1 1.0
CG A:GLU19 4.1 28.9 1.0
CA A:GLU19 4.2 27.4 1.0
CB A:SER18 4.2 29.9 1.0
O A:HOH2037 4.7 26.4 1.0
N A:ASP20 4.8 26.1 1.0
NE2 B:GLN224 5.0 30.6 1.0

Chlorine binding site 3 out of 16 in 4d4f

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Chlorine binding site 3 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:60.1
occ:1.00
 N B:ASP247 3.2 34.8 1.0
O B:HOH2227 3.5 30.6 1.0
CB B:GLN246 3.7 34.0 1.0
CA B:GLN246 3.7 34.3 1.0
C B:GLN246 4.0 34.2 1.0
CG B:ASP247 4.1 48.1 1.0
CB B:ASP247 4.1 43.1 1.0
CA B:ASP247 4.2 38.7 1.0
OD2 B:ASP247 4.2 57.6 1.0
OD1 B:ASP247 4.4 54.0 1.0
CG B:GLN246 4.9 33.3 1.0

Chlorine binding site 4 out of 16 in 4d4f

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Chlorine binding site 4 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:66.2
occ:1.00
 O A:HOH2258 3.0 46.0 1.0
O B:HOH2030 3.0 53.4 1.0
O B:HOH2097 3.4 38.8 1.0
N B:GLU19 3.5 29.4 1.0
CA B:SER18 4.0 31.3 1.0
OG B:SER18 4.1 34.1 1.0
CB B:GLU19 4.2 30.2 1.0
C B:SER18 4.3 30.1 1.0
CG B:GLU19 4.3 31.6 1.0
CA B:GLU19 4.4 28.9 1.0
CB B:SER18 4.5 31.7 1.0
O B:HOH2029 4.8 35.4 1.0

Chlorine binding site 5 out of 16 in 4d4f

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Chlorine binding site 5 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:63.0
occ:1.00
 N B:MET95 3.5 37.8 0.5
N B:MET95 3.5 36.4 0.5
O B:HOH2119 3.6 43.2 1.0
CA B:PRO94 3.8 36.6 1.0
O B:HOH2118 3.8 48.8 1.0
C B:PRO94 4.1 36.2 1.0
CB B:MET95 4.2 44.0 0.5
CB B:PRO94 4.4 37.8 1.0
CA B:MET95 4.4 39.8 0.5
CG B:MET95 4.5 49.2 0.5
CB B:MET95 4.6 39.6 0.5
CA B:MET95 4.6 37.4 0.5
O B:PHE93 4.6 38.6 1.0
N B:PRO94 4.9 36.0 1.0

Chlorine binding site 6 out of 16 in 4d4f

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Chlorine binding site 6 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:57.4
occ:1.00
 N C:ASP247 3.2 34.6 1.0
O C:HOH2091 3.7 27.8 1.0
CA C:GLN246 3.7 31.4 1.0
CB C:GLN246 3.7 31.8 1.0
CG C:ASP247 3.8 46.1 1.0
C C:GLN246 3.9 32.5 1.0
CB C:ASP247 4.0 41.3 1.0
OD1 C:ASP247 4.0 52.6 1.0
OD2 C:ASP247 4.1 53.3 1.0
CA C:ASP247 4.2 36.5 1.0
O C:HOH2219 4.6 42.0 1.0
CG C:GLN246 5.0 31.8 1.0

Chlorine binding site 7 out of 16 in 4d4f

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Chlorine binding site 7 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl405

b:69.7
occ:1.00
 O C:HOH2048 3.2 45.1 1.0
NH2 C:ARG27 3.5 35.0 1.0
NZ C:LYS31 3.7 33.2 1.0
O E:HOH2141 3.8 42.2 1.0
NE C:ARG27 3.9 32.8 1.0
CG2 C:VAL32 3.9 29.1 1.0
CD C:LYS31 4.0 30.1 1.0
CZ C:ARG27 4.2 33.2 1.0
CE C:LYS31 4.2 31.8 1.0
O C:HOH2047 4.5 32.2 1.0
O E:HOH2080 4.6 34.9 1.0
CG C:LYS31 4.8 28.6 1.0

Chlorine binding site 8 out of 16 in 4d4f

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Chlorine binding site 8 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:60.8
occ:1.00
 N D:ASP247 3.3 42.8 1.0
O D:HOH2182 3.5 37.7 1.0
CB D:GLN246 3.6 38.9 1.0
CA D:GLN246 3.7 39.5 1.0
CG D:ASP247 3.8 58.4 1.0
OD2 D:ASP247 3.9 67.4 1.0
C D:GLN246 4.0 41.1 1.0
CB D:ASP247 4.1 51.0 1.0
OD1 D:ASP247 4.2 58.8 1.0
CA D:ASP247 4.3 46.5 1.0
O D:HOH2181 4.5 48.6 1.0
CG D:GLN246 4.9 38.8 1.0
OE1 D:GLN246 5.0 36.4 1.0

Chlorine binding site 9 out of 16 in 4d4f

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Chlorine binding site 9 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl406

b:70.3
occ:1.00
 O D:HOH2134 3.4 49.2 1.0
N D:LYS175 3.4 41.7 1.0
CG D:LYS175 3.6 39.2 1.0
CB D:LYS175 3.9 39.3 1.0
OD1 D:ASP174 4.1 61.3 1.0
CA D:ASP174 4.1 46.3 1.0
CA D:LYS175 4.3 41.4 1.0
C D:ASP174 4.3 44.9 1.0
CG D:ASP174 4.5 51.7 1.0
O D:VAL173 4.7 42.2 1.0
CD D:LYS175 4.7 38.5 1.0
CB D:ASP174 4.9 48.4 1.0

Chlorine binding site 10 out of 16 in 4d4f

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Chlorine binding site 10 out of 16 in the Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Mutant P250A of Bacterial Chalcone Isomerase From Eubacterium Ramulus within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:57.1
occ:1.00
 N E:ASP247 3.4 46.3 1.0
CB E:GLN246 3.7 42.2 1.0
CA E:GLN246 3.8 42.8 1.0
CG E:ASP247 4.0 54.1 1.0
C E:GLN246 4.1 44.3 1.0
OD2 E:ASP247 4.1 58.0 1.0
CB E:ASP247 4.2 50.4 1.0
OD1 E:ASP247 4.4 59.8 1.0
CA E:ASP247 4.4 47.6 1.0
CG E:GLN246 4.9 41.6 1.0

Reference:

M.Thomsen, H.Kratzat, W.Hinrichs. Mutant P250A of Bacterial Chalcone Isomerase To Be Published.
Page generated: Sun Jul 21 11:46:16 2024

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