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Chlorine in PDB 4c9s: Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution

Enzymatic activity of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution

All present enzymatic activity of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution:
5.5.1.6;

Protein crystallography data

The structure of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution, PDB code: 4c9s was solved by M.Thomsen, G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.07 / 1.80
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 171.246, 192.290, 204.635, 90.00, 90.00, 90.00
R / Rfree (%) 13.446 / 15.389

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Chlorine atom in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution (pdb code 4c9s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 18 binding sites of Chlorine where determined in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution, PDB code: 4c9s:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in 4c9s

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Chlorine binding site 1 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:37.7
occ:1.00
 O A:HOH2356 2.7 43.4 1.0
O A:HOH2194 2.8 28.5 1.0
O A:HOH2344 3.0 24.9 1.0
N A:GLU239 3.1 25.5 1.0
CB A:GLU239 3.7 34.2 1.0
CA A:LEU238 3.8 23.6 1.0
CD2 A:LEU238 3.8 23.6 1.0
CG A:GLU239 3.8 44.2 1.0
C A:LEU238 3.9 25.2 1.0
CA A:GLU239 4.0 29.2 1.0
CD A:LYS185 4.0 30.1 1.0
CB A:LEU238 4.3 23.1 1.0
O A:GLU239 4.3 26.8 1.0
CE A:LYS185 4.4 34.5 1.0
O A:HOH2192 4.4 38.4 1.0
CG A:LYS185 4.5 27.4 1.0
CB A:LYS185 4.5 24.0 1.0
CG A:LEU238 4.7 22.6 1.0
C A:GLU239 4.7 27.7 1.0
O A:ALA237 4.7 26.4 1.0
CD A:GLU239 4.7 54.9 1.0
N A:LEU238 5.0 24.0 1.0
NZ A:LYS185 5.0 38.5 1.0

Chlorine binding site 2 out of 18 in 4c9s

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Chlorine binding site 2 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:53.4
occ:1.00
 O A:HOH2439 2.9 36.0 1.0
N A:GLU171 3.3 30.5 1.0
O A:HOH2438 3.4 37.0 1.0
OE2 A:GLU171 3.7 64.0 1.0
CA A:PRO170 3.8 25.5 1.0
CB A:PRO170 3.9 27.3 1.0
NE2 A:GLN245 4.0 28.0 1.0
CB A:GLU171 4.1 43.4 1.0
C A:PRO170 4.1 26.0 1.0
CG A:GLU171 4.1 53.4 1.0
O A:HOH2429 4.2 41.5 1.0
CA A:GLU171 4.3 35.5 1.0
CD A:GLU171 4.3 62.5 1.0
O A:HOH2239 4.4 49.6 1.0
O A:HOH2428 4.5 54.4 1.0
ND2 A:ASN257 4.5 22.2 1.0
OD1 A:ASN257 4.7 22.5 1.0
O A:HOH2325 4.7 38.3 1.0
CG A:ASN257 5.0 21.4 1.0

Chlorine binding site 3 out of 18 in 4c9s

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Chlorine binding site 3 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:38.9
occ:1.00
 O B:HOH2314 2.7 32.0 1.0
O B:HOH2308 2.8 20.6 1.0
O B:HOH2158 2.8 23.3 1.0
N B:GLU239 3.0 22.8 1.0
CB B:GLU239 3.6 29.5 1.0
CD B:LYS185 3.7 23.5 1.0
CA B:LEU238 3.7 21.4 1.0
CD2 B:LEU238 3.7 19.7 1.0
C B:LEU238 3.8 22.7 1.0
CA B:GLU239 3.9 26.0 1.0
CG B:GLU239 3.9 37.1 1.0
CE B:LYS185 4.0 26.4 1.0
CG B:LYS185 4.0 21.4 1.0
O B:HOH2315 4.0 53.7 1.0
O B:HOH2155 4.1 38.2 1.0
CB B:LEU238 4.1 20.1 1.0
O B:GLU239 4.2 24.6 1.0
CB B:LYS185 4.3 19.7 1.0
O B:HOH2377 4.4 48.3 1.0
O B:HOH2160 4.4 58.4 1.0
NZ B:LYS185 4.5 30.0 1.0
C B:GLU239 4.5 24.7 1.0
CG B:LEU238 4.6 20.1 1.0
O B:ALA237 4.7 24.5 1.0
N B:LEU238 5.0 21.7 1.0

Chlorine binding site 4 out of 18 in 4c9s

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Chlorine binding site 4 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:49.5
occ:1.00
 O B:HOH2048 3.0 51.6 1.0
N B:GLU19 3.0 17.9 1.0
O B:HOH2049 3.0 42.0 1.0
O A:HOH2394 3.1 36.5 1.0
O B:HOH2170 3.3 34.1 1.0
CA B:SER18 3.8 18.8 1.0
CB B:GLU19 3.8 20.6 1.0
OG B:SER18 3.8 23.5 1.0
C B:SER18 3.8 17.9 1.0
CG B:GLU19 3.9 22.0 1.0
CA B:GLU19 4.0 18.9 1.0
O B:HOH2047 4.3 54.0 1.0
CB B:SER18 4.3 20.1 1.0
O B:HOH2043 4.4 20.4 1.0
N B:ASP20 4.8 17.2 1.0
O B:HOH2051 4.9 58.0 1.0
O B:VAL17 4.9 18.4 1.0
C B:GLU19 5.0 18.5 1.0
N B:SER18 5.0 18.1 1.0
NE2 A:GLN224 5.0 22.7 1.0

Chlorine binding site 5 out of 18 in 4c9s

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Chlorine binding site 5 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:51.8
occ:1.00
 O B:HOH2393 2.8 52.8 1.0
N B:ASP247 3.2 21.3 1.0
O B:HOH2390 3.4 18.3 1.0
CB B:GLN246 3.7 20.1 1.0
CG B:ASP247 3.8 33.1 1.0
CA B:GLN246 3.8 19.9 1.0
CB B:ASP247 3.8 26.8 1.0
OD2 B:ASP247 3.8 36.9 1.0
C B:GLN246 4.0 20.2 1.0
CA B:ASP247 4.1 24.1 1.0
OD1 B:ASP247 4.3 36.8 1.0
O B:HOH2391 4.7 36.2 1.0
O B:HOH2200 4.8 33.5 1.0
O B:HOH2380 4.8 36.3 1.0
CG B:GLN246 5.0 18.3 1.0

Chlorine binding site 6 out of 18 in 4c9s

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Chlorine binding site 6 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:56.9
occ:1.00
 O B:HOH2400 3.0 36.0 1.0
N B:GLU171 3.3 26.7 1.0
O B:HOH2399 3.3 31.8 1.0
NE2 B:GLN245 3.8 23.1 1.0
O B:HOH2286 3.8 45.8 1.0
CA B:PRO170 3.8 21.6 1.0
CB B:GLU171 3.9 36.9 1.0
CB B:PRO170 4.0 22.5 1.0
C B:PRO170 4.1 23.5 1.0
O B:HOH2388 4.2 34.2 1.0
CA B:GLU171 4.2 31.4 1.0
ND2 B:ASN257 4.4 20.2 1.0
O B:HOH2205 4.4 45.0 1.0
OD1 B:ASN257 4.6 19.3 1.0
O B:HOH2284 4.8 48.2 1.0
CG B:ASN257 4.9 19.2 1.0

Chlorine binding site 7 out of 18 in 4c9s

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Chlorine binding site 7 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:38.0
occ:1.00
 O C:HOH2379 2.7 38.5 1.0
O C:HOH2168 2.8 25.4 1.0
O C:HOH2312 2.9 22.1 1.0
N C:GLU239 3.1 23.8 1.0
CD2 C:LEU238 3.7 22.3 1.0
CA C:LEU238 3.8 22.2 1.0
CG C:GLU239 3.9 38.8 1.0
CB C:GLU239 3.9 30.6 1.0
C C:LEU238 3.9 23.1 1.0
CD C:LYS185 3.9 28.4 1.0
CA C:GLU239 4.1 25.7 1.0
O C:HOH2319 4.2 43.0 1.0
CB C:LEU238 4.2 21.9 1.0
CG C:LYS185 4.3 25.3 1.0
O C:HOH2378 4.4 51.7 1.0
CB C:LYS185 4.4 21.3 1.0
O C:GLU239 4.4 22.4 1.0
O C:HOH2165 4.4 40.4 1.0
CE C:LYS185 4.5 33.3 1.0
CG C:LEU238 4.6 21.7 1.0
C C:GLU239 4.7 24.2 1.0
O C:ALA237 4.8 24.2 1.0
CD C:GLU239 4.8 51.1 1.0
N C:LEU238 5.0 21.9 1.0

Chlorine binding site 8 out of 18 in 4c9s

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Chlorine binding site 8 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:50.7
occ:1.00
 N C:ASP247 3.1 22.4 1.0
O C:HOH2395 3.5 20.0 1.0
CG C:ASP247 3.6 35.3 1.0
CB C:GLN246 3.7 21.1 1.0
CB C:ASP247 3.7 28.1 1.0
CA C:GLN246 3.7 21.2 1.0
C C:GLN246 3.9 21.6 1.0
OD2 C:ASP247 3.9 42.0 1.0
OD1 C:ASP247 4.0 38.9 1.0
CA C:ASP247 4.0 23.9 1.0
O C:HOH2382 4.6 41.0 1.0
O C:HOH2394 4.8 38.6 1.0
O C:HOH2199 4.9 34.1 1.0
CG C:GLN246 5.0 20.6 1.0

Chlorine binding site 9 out of 18 in 4c9s

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Chlorine binding site 9 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:51.5
occ:1.00
 O C:HOH2403 2.8 39.5 1.0
N C:GLU171 3.3 29.5 1.0
O C:HOH2402 3.5 32.1 1.0
O C:HOH2288 3.7 46.0 1.0
CA C:PRO170 3.9 23.3 1.0
CB C:GLU171 3.9 42.9 1.0
NE2 C:GLN245 4.1 24.7 1.0
CB C:PRO170 4.1 23.9 1.0
C C:PRO170 4.1 25.1 1.0
CA C:GLU171 4.3 34.4 1.0
O C:HOH2392 4.3 44.5 1.0
O C:HOH2208 4.5 39.1 1.0
ND2 C:ASN257 4.5 20.9 1.0
CG C:GLU171 4.5 53.2 1.0
OD1 C:ASN257 4.7 21.5 1.0
O C:HOH2285 4.8 52.7 1.0

Chlorine binding site 10 out of 18 in 4c9s

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Chlorine binding site 10 out of 18 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:34.1
occ:1.00
 O D:HOH2355 2.7 39.9 1.0
O D:HOH2146 2.8 21.9 1.0
O D:HOH2285 2.9 22.6 1.0
N D:GLU239 3.1 20.8 1.0
CG D:GLU239 3.7 34.8 1.0
CB D:GLU239 3.8 27.8 1.0
CD2 D:LEU238 3.8 20.0 1.0
CA D:LEU238 3.8 19.7 1.0
C D:LEU238 4.0 20.2 1.0
CA D:GLU239 4.0 23.2 1.0
CB D:LEU238 4.1 18.7 1.0
CD D:LYS185 4.1 23.8 1.0
O D:HOH2296 4.2 35.8 1.0
O D:HOH2353 4.2 33.7 1.0
O D:HOH2143 4.2 35.3 1.0
O D:GLU239 4.3 20.3 1.0
CG D:LYS185 4.4 21.8 1.0
CB D:LYS185 4.4 19.5 1.0
CD D:GLU239 4.6 44.4 1.0
CE D:LYS185 4.6 26.1 1.0
CG D:LEU238 4.6 19.2 1.0
C D:GLU239 4.6 23.0 1.0
O D:ALA237 4.9 20.1 1.0
OE2 D:GLU239 5.0 53.2 1.0

Reference:

M.Thomsen, M.Thomsen, G.J.Palm, W.Hinrichs. N/A N/A.
Page generated: Fri Jul 11 13:47:07 2025

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