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Chlorine in PDB 4c9t: Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative

Enzymatic activity of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative

All present enzymatic activity of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative:
5.5.1.6;

Protein crystallography data

The structure of Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative, PDB code: 4c9t 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) 48.45 / 1.98
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 172.391, 192.704, 203.877, 90.00, 90.00, 90.00
R / Rfree (%) 13.376 / 15.592

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative (pdb code 4c9t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative, PDB code: 4c9t:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in 4c9t

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Chlorine binding site 1 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:50.5
occ:1.00
 N A:ASP247 3.2 25.6 1.0
O A:HOH2372 3.4 19.2 1.0
CB A:GLN246 3.8 23.7 1.0
CA A:GLN246 3.8 22.9 1.0
CG A:ASP247 3.8 37.0 1.0
CB A:ASP247 3.9 31.4 1.0
C A:GLN246 4.0 24.0 1.0
OD2 A:ASP247 4.1 45.1 1.0
CA A:ASP247 4.1 27.6 1.0
OD1 A:ASP247 4.2 42.8 1.0
O A:HOH2067 4.3 56.5 1.0
O A:HOH2373 4.7 42.3 1.0
CG A:GLN246 5.0 23.3 1.0
O A:HOH2195 5.0 36.0 1.0
O A:HOH2361 5.0 40.1 1.0

Chlorine binding site 2 out of 15 in 4c9t

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Chlorine binding site 2 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:53.9
occ:1.00
 O A:HOH2379 3.0 35.2 1.0
N A:GLU171 3.3 29.0 1.0
O A:HOH2378 3.5 36.6 1.0
CA A:PRO170 3.8 24.6 1.0
CB A:PRO170 3.9 26.2 1.0
CB A:GLU171 4.0 44.0 1.0
NE2 A:GLN245 4.0 27.4 1.0
C A:PRO170 4.1 25.0 1.0
CA A:GLU171 4.3 35.7 1.0
O A:HOH2371 4.3 42.0 1.0
O A:HOH2370 4.4 53.4 1.0
ND2 A:ASN257 4.4 21.3 1.0
O A:HOH2285 4.5 43.4 1.0
CG A:GLU171 4.6 55.2 1.0
OD1 A:ASN257 4.7 21.6 1.0
OE2 A:GLU171 4.7 73.1 1.0
CD A:GLU171 4.9 68.4 1.0
CG A:ASN257 5.0 20.8 1.0

Chlorine binding site 3 out of 15 in 4c9t

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Chlorine binding site 3 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:49.3
occ:1.00
 O B:HOH2299 3.0 45.1 1.0
N A:GLU19 3.1 17.5 1.0
O A:HOH2051 3.1 51.8 1.0
O A:HOH2168 3.2 32.3 1.0
CA A:SER18 3.8 19.3 1.0
OG A:SER18 3.8 23.6 1.0
CB A:GLU19 3.8 20.3 1.0
C A:SER18 3.9 18.2 1.0
CG A:GLU19 3.9 22.0 1.0
CA A:GLU19 4.0 19.2 1.0
CB A:SER18 4.3 20.9 1.0
O A:HOH2046 4.5 20.8 1.0
N A:ASP20 4.8 17.5 1.0
C A:GLU19 4.9 18.4 1.0
O A:VAL17 5.0 23.3 1.0
N A:SER18 5.0 18.2 1.0

Chlorine binding site 4 out of 15 in 4c9t

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Chlorine binding site 4 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:49.9
occ:1.00
 N B:ASP247 3.3 22.0 1.0
O B:HOH2130 3.5 18.0 1.0
OD2 B:ASP247 3.7 41.7 1.0
CG B:ASP247 3.7 35.0 1.0
CB B:GLN246 3.8 19.8 1.0
CA B:GLN246 3.8 19.6 1.0
CB B:ASP247 3.9 28.7 1.0
C B:GLN246 4.0 20.1 1.0
CA B:ASP247 4.2 24.5 1.0
OD1 B:ASP247 4.3 38.6 1.0
O B:HOH2329 4.6 34.5 1.0
O B:HOH2164 4.7 35.4 1.0
O B:HOH2319 4.8 30.6 1.0

Chlorine binding site 5 out of 15 in 4c9t

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Chlorine binding site 5 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:52.7
occ:1.00
 O B:HOH2037 2.6 51.3 1.0
O B:HOH2038 2.9 53.0 1.0
O A:HOH2340 3.1 39.6 1.0
N B:GLU19 3.2 17.8 1.0
O B:HOH2035 3.4 34.6 1.0
OG B:SER18 3.8 16.3 0.5
CA B:SER18 3.8 17.6 0.5
CA B:SER18 3.8 18.3 0.5
CB B:GLU19 4.0 19.2 1.0
C B:SER18 4.0 17.5 1.0
CG B:GLU19 4.1 20.5 1.0
CA B:GLU19 4.2 17.9 1.0
CB B:SER18 4.2 17.5 0.5
CB B:SER18 4.3 19.1 0.5
O B:HOH2034 4.3 54.1 1.0
O B:HOH2033 4.7 20.7 1.0
N B:ASP20 5.0 18.6 1.0
NE2 A:GLN224 5.0 22.3 1.0

Chlorine binding site 6 out of 15 in 4c9t

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Chlorine binding site 6 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:52.8
occ:1.00
 N C:ASP247 3.2 24.4 1.0
O C:HOH2328 3.5 20.3 1.0
CG C:ASP247 3.7 37.9 1.0
CB C:GLN246 3.7 21.9 1.0
CB C:ASP247 3.8 28.9 1.0
CA C:GLN246 3.8 21.7 1.0
OD2 C:ASP247 3.8 45.2 1.0
C C:GLN246 4.0 22.8 1.0
CA C:ASP247 4.0 26.1 1.0
OD1 C:ASP247 4.0 41.4 1.0
O C:HOH2316 4.8 31.5 1.0
O C:HOH2327 4.9 38.3 1.0

Chlorine binding site 7 out of 15 in 4c9t

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Chlorine binding site 7 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:52.9
occ:1.00
 O C:HOH2335 2.8 40.1 1.0
N C:GLU171 3.4 29.9 1.0
O C:HOH2334 3.5 37.6 1.0
CB C:PRO170 3.8 25.3 1.0
CA C:PRO170 3.8 24.9 1.0
CB C:GLU171 4.0 44.6 1.0
NE2 C:GLN245 4.1 24.9 1.0
C C:PRO170 4.1 25.1 1.0
ND2 C:ASN257 4.3 22.7 1.0
CA C:GLU171 4.3 35.9 1.0
CG C:GLU171 4.3 57.0 1.0
O C:HOH2172 4.4 43.8 1.0
O C:HOH2325 4.5 44.7 1.0
O C:HOH2240 4.5 47.6 1.0
OD1 C:ASN257 4.7 23.6 1.0
CG C:ASN257 4.9 22.6 1.0

Chlorine binding site 8 out of 15 in 4c9t

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Chlorine binding site 8 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:48.3
occ:1.00
 N D:ASP247 3.2 22.4 1.0
O D:HOH2301 3.4 20.2 1.0
CG D:ASP247 3.7 35.6 1.0
CB D:GLN246 3.8 19.9 1.0
CB D:ASP247 3.8 27.1 1.0
OD2 D:ASP247 3.8 42.4 1.0
CA D:GLN246 3.9 20.6 1.0
C D:GLN246 4.0 21.3 1.0
CA D:ASP247 4.1 23.2 1.0
OD1 D:ASP247 4.2 41.4 1.0
O D:HOH2143 4.8 32.5 1.0
O D:HOH2302 4.8 35.8 1.0
O D:HOH2291 4.9 40.5 1.0
CG D:GLN246 5.0 18.5 1.0
OE1 D:GLN246 5.0 19.3 1.0

Chlorine binding site 9 out of 15 in 4c9t

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Chlorine binding site 9 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:58.5
occ:1.00
 O D:HOH2309 2.9 41.5 1.0
N D:GLU171 3.1 28.1 1.0
O D:HOH2308 3.3 33.3 1.0
O D:HOH2215 3.5 52.3 1.0
CB D:GLU171 3.7 45.0 1.0
CA D:PRO170 3.7 21.8 1.0
C D:PRO170 3.9 22.9 1.0
O D:HOH2216 3.9 47.9 1.0
CA D:GLU171 4.0 35.1 1.0
CB D:PRO170 4.0 22.9 1.0
NE2 D:GLN245 4.1 22.8 1.0
O D:HOH2300 4.2 48.0 1.0
ND2 D:ASN257 4.3 19.4 1.0
OD1 D:ASN257 4.5 19.1 1.0
CG D:ASN257 4.8 18.6 1.0
CG D:GLU171 4.9 56.7 1.0
CD D:GLU171 5.0 69.7 1.0
OE2 D:GLU171 5.0 77.9 1.0

Chlorine binding site 10 out of 15 in 4c9t

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Chlorine binding site 10 out of 15 in the Bacterial Chalcone Isomerase in Open Conformation From Eubacterium Ramulus at 2.0 A Resolution, Selenomet Derivative


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 2.0 A Resolution, Selenomet Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:49.1
occ:1.00
 O E:HOH2307 2.7 55.1 1.0
N E:ASP247 3.1 25.5 1.0
O E:HOH2306 3.4 20.9 1.0
CB E:GLN246 3.6 23.5 1.0
CA E:GLN246 3.7 24.0 1.0
CG E:ASP247 3.7 36.5 1.0
CB E:ASP247 3.7 30.2 1.0
C E:GLN246 3.9 24.0 1.0
OD2 E:ASP247 4.0 43.5 1.0
CA E:ASP247 4.1 26.2 1.0
OD1 E:ASP247 4.1 40.3 1.0
O E:HOH2294 4.6 36.0 1.0
O E:HOH2159 4.7 37.5 1.0
O E:HOH2048 4.7 54.5 1.0
O E:HOH2305 4.8 37.0 1.0
CG E:GLN246 4.9 23.4 1.0

Reference:

M.Thomsen, M.Thomsen, G.J.Palm, W.Hinrichs. N/A N/A.
Page generated: Sun Jul 21 10:55:04 2024

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