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Chlorine in PDB 2jkn: Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)

Protein crystallography data

The structure of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form), PDB code: 2jkn was solved by D.M.Pettigrew, P.Roversi, S.G.Davies, A.J.Russell, S.M.Lea, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.90
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 119.300, 119.300, 57.700, 90.00, 90.00, 120.00
R / Rfree (%) 19.1 / 21.2

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) (pdb code 2jkn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form), PDB code: 2jkn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 2jkn

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Chlorine binding site 1 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1141

b:29.9
occ:1.00
CL1 A:CL81141 0.0 29.9 1.0
C1 A:CL81141 1.8 30.8 1.0
C2 A:CL81141 2.7 33.8 1.0
O2 A:CL81141 2.9 32.0 1.0
CL2 A:CL81141 3.0 31.3 1.0
O A:GLY42 3.2 20.8 1.0
O A:ILE114 3.3 15.5 1.0
C A:GLY42 3.5 22.3 1.0
N A:ILE114 3.5 13.3 1.0
CB A:PRO40 3.7 20.6 1.0
N A:GLY42 3.7 20.8 1.0
CE1 A:TYR115 3.7 18.4 1.0
CZ A:TYR115 3.7 20.1 1.0
N2 A:CL81141 3.7 38.8 1.0
CA A:GLY113 3.8 13.9 1.0
CA A:GLY42 3.9 20.6 1.0
CA A:PRO40 4.0 18.4 1.0
OH A:TYR115 4.0 20.5 1.0
C A:GLY113 4.1 15.8 1.0
C A:ILE114 4.1 16.6 1.0
N A:ILE41 4.1 15.9 1.0
N A:PRO43 4.2 18.9 1.0
CD1 A:TYR115 4.2 18.0 1.0
CE2 A:TYR115 4.3 17.1 1.0
C13 A:CL81141 4.4 50.5 0.3
C A:PRO40 4.4 20.4 1.0
C14 A:CL81141 4.5 48.5 0.3
CA A:ILE114 4.5 13.7 1.0
C13 A:CL81141 4.5 49.4 0.3
C13 A:CL81141 4.5 46.4 0.3
CA A:PRO43 4.6 18.4 1.0
CG A:TYR115 4.6 16.0 1.0
C14 A:CL81141 4.6 49.8 0.3
CD2 A:TYR115 4.7 16.8 1.0
C A:ILE41 4.7 22.8 1.0
CD A:PRO43 4.9 20.4 1.0

Chlorine binding site 2 out of 12 in 2jkn

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Chlorine binding site 2 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1141

b:31.3
occ:1.00
CL2 A:CL81141 0.0 31.3 1.0
C1 A:CL81141 1.8 30.8 1.0
C2 A:CL81141 2.8 33.8 1.0
CL1 A:CL81141 3.0 29.9 1.0
O2 A:CL81141 3.4 32.0 1.0
N2 A:CL81141 3.4 38.8 1.0
C14 A:CL81141 3.6 48.5 0.3
CB A:PRO43 3.6 20.1 1.0
CA A:GLY113 3.7 13.9 1.0
CA A:PRO43 3.8 18.4 1.0
OH A:TYR115 3.9 20.5 1.0
CG2 A:ILE111 4.0 16.9 1.0
CG2 A:THR88 4.0 15.8 1.0
N A:PRO43 4.2 18.9 1.0
N A:GLY113 4.4 14.6 1.0
O A:GLY42 4.4 20.8 1.0
C A:GLY42 4.5 22.3 1.0
C11 A:CL81141 4.5 41.4 1.0
CZ A:TYR115 4.5 20.1 1.0
C13 A:CL81141 4.6 49.4 0.3
C10 A:CL81141 4.6 41.3 1.0
CG A:PRO43 4.6 24.5 1.0
C13 A:CL81141 4.7 50.5 0.3
CD A:PRO43 4.7 20.4 1.0
C15 A:CL81141 4.7 48.4 0.3
O16 A:CL81141 4.7 47.6 0.3
C6 A:CL81141 4.7 41.6 1.0
O A:ILE112 4.7 19.4 1.0
C3 A:CL81141 4.8 44.5 1.0
C A:ILE112 4.9 18.5 1.0
C9 A:CL81141 4.9 41.3 1.0
C A:GLY113 4.9 15.8 1.0
C7 A:CL81141 5.0 40.2 1.0

Chlorine binding site 3 out of 12 in 2jkn

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Chlorine binding site 3 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1141

b:27.3
occ:1.00
CL1 B:CL81141 0.0 27.3 1.0
C1 B:CL81141 1.8 29.5 1.0
C2 B:CL81141 2.7 32.1 1.0
O2 B:CL81141 2.9 30.0 1.0
CL2 B:CL81141 3.0 31.2 1.0
O B:GLY42 3.2 19.8 1.0
O B:ILE114 3.3 16.8 1.0
C B:GLY42 3.5 21.2 1.0
N B:ILE114 3.5 13.5 1.0
N B:GLY42 3.6 19.7 1.0
CA B:GLY113 3.7 13.5 1.0
CE1 B:TYR115 3.7 17.1 1.0
CZ B:TYR115 3.8 19.4 1.0
N2 B:CL81141 3.8 37.5 1.0
CB B:PRO40 3.8 21.1 1.0
CA B:GLY42 3.9 18.6 1.0
OH B:TYR115 4.0 19.4 1.0
C B:GLY113 4.0 15.6 1.0
C B:ILE114 4.0 17.1 1.0
N B:ILE41 4.1 16.0 1.0
CA B:PRO40 4.1 18.6 1.0
N B:PRO43 4.1 18.6 1.0
CD1 B:TYR115 4.2 17.5 1.0
CE2 B:TYR115 4.2 17.2 1.0
CA B:ILE114 4.4 13.4 1.0
C B:PRO40 4.5 20.9 1.0
C13 B:CL81141 4.5 45.5 0.3
C13 B:CL81141 4.5 49.8 0.3
C14 B:CL81141 4.5 47.5 0.3
CA B:PRO43 4.6 17.2 1.0
C13 B:CL81141 4.6 48.7 0.3
CD2 B:TYR115 4.6 15.9 1.0
CG B:TYR115 4.7 15.1 1.0
C B:ILE41 4.7 22.9 1.0
C14 B:CL81141 4.8 49.0 0.3
CD B:PRO43 4.9 20.3 1.0

Chlorine binding site 4 out of 12 in 2jkn

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Chlorine binding site 4 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1141

b:31.2
occ:1.00
CL2 B:CL81141 0.0 31.2 1.0
C1 B:CL81141 1.8 29.5 1.0
C2 B:CL81141 2.8 32.1 1.0
CL1 B:CL81141 3.0 27.3 1.0
O2 B:CL81141 3.4 30.0 1.0
N2 B:CL81141 3.4 37.5 1.0
C14 B:CL81141 3.6 47.5 0.3
CA B:GLY113 3.6 13.5 1.0
CB B:PRO43 3.7 18.9 1.0
OH B:TYR115 3.7 19.4 1.0
CA B:PRO43 3.9 17.2 1.0
CG2 B:THR88 4.0 16.2 1.0
CG2 B:ILE111 4.0 16.9 1.0
N B:PRO43 4.3 18.6 1.0
N B:GLY113 4.4 13.7 1.0
CZ B:TYR115 4.5 19.4 1.0
O B:GLY42 4.5 19.8 1.0
C B:GLY42 4.5 21.2 1.0
C11 B:CL81141 4.6 40.0 1.0
C13 B:CL81141 4.6 48.7 0.3
C15 B:CL81141 4.6 47.6 0.3
C13 B:CL81141 4.7 49.8 0.3
C10 B:CL81141 4.7 40.2 1.0
O16 B:CL81141 4.7 47.1 0.3
C6 B:CL81141 4.8 40.4 1.0
CG B:PRO43 4.8 23.9 1.0
CD B:PRO43 4.8 20.3 1.0
C3 B:CL81141 4.8 44.0 1.0
O B:ILE112 4.8 17.2 1.0
C B:GLY113 4.9 15.6 1.0
C B:ILE112 4.9 16.7 1.0
C9 B:CL81141 4.9 40.7 1.0
O B:HOH2095 5.0 21.3 1.0
C7 B:CL81141 5.0 38.8 1.0

Chlorine binding site 5 out of 12 in 2jkn

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Chlorine binding site 5 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1141

b:32.4
occ:1.00
CL1 C:CL81141 0.0 32.4 1.0
C1 C:CL81141 1.8 33.4 1.0
C2 C:CL81141 2.7 36.3 1.0
O2 C:CL81141 2.9 34.9 1.0
CL2 C:CL81141 3.0 34.4 1.0
O C:GLY42 3.3 23.2 1.0
O C:ILE114 3.4 18.1 1.0
C C:GLY42 3.5 25.1 1.0
N C:ILE114 3.5 16.1 1.0
CE1 C:TYR115 3.6 21.3 1.0
N C:GLY42 3.6 23.3 1.0
CB C:PRO40 3.6 23.4 1.0
N2 C:CL81141 3.7 41.5 1.0
CZ C:TYR115 3.7 22.6 1.0
CA C:GLY113 3.8 16.0 1.0
CA C:GLY42 3.9 23.1 1.0
OH C:TYR115 3.9 23.7 1.0
CA C:PRO40 4.0 21.4 1.0
C C:GLY113 4.1 18.0 1.0
C C:ILE114 4.1 18.9 1.0
CD1 C:TYR115 4.1 20.5 1.0
N C:ILE41 4.1 18.4 1.0
N C:PRO43 4.2 21.1 1.0
C13 C:CL81141 4.3 53.0 0.3
CE2 C:TYR115 4.3 19.9 1.0
C14 C:CL81141 4.3 51.1 0.3
C13 C:CL81141 4.4 51.9 0.3
CA C:ILE114 4.4 16.0 1.0
C C:PRO40 4.5 22.8 1.0
C14 C:CL81141 4.5 52.3 0.3
C13 C:CL81141 4.5 48.9 0.3
CA C:PRO43 4.6 20.7 1.0
C C:ILE41 4.7 25.2 1.0
CG C:TYR115 4.7 18.7 1.0
CD2 C:TYR115 4.7 19.4 1.0
CD C:PRO43 5.0 22.7 1.0

Chlorine binding site 6 out of 12 in 2jkn

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Chlorine binding site 6 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1141

b:34.4
occ:1.00
CL2 C:CL81141 0.0 34.4 1.0
C1 C:CL81141 1.8 33.4 1.0
C2 C:CL81141 2.8 36.3 1.0
CL1 C:CL81141 3.0 32.4 1.0
O2 C:CL81141 3.5 34.9 1.0
N2 C:CL81141 3.5 41.5 1.0
CA C:GLY113 3.6 16.0 1.0
CB C:PRO43 3.6 22.5 1.0
C14 C:CL81141 3.7 51.1 0.3
CA C:PRO43 3.8 20.7 1.0
OH C:TYR115 3.9 23.7 1.0
CG2 C:THR88 4.0 18.3 1.0
CG2 C:ILE111 4.0 19.1 1.0
N C:PRO43 4.1 21.1 1.0
N C:GLY113 4.4 17.2 1.0
C C:GLY42 4.4 25.1 1.0
O C:GLY42 4.4 23.2 1.0
C11 C:CL81141 4.6 43.8 1.0
CG C:PRO43 4.6 27.1 1.0
C13 C:CL81141 4.6 51.9 0.3
CZ C:TYR115 4.6 22.6 1.0
CD C:PRO43 4.7 22.7 1.0
C15 C:CL81141 4.7 50.8 0.3
C13 C:CL81141 4.7 53.0 0.3
C10 C:CL81141 4.7 43.9 1.0
O16 C:CL81141 4.7 50.0 0.3
O C:ILE112 4.7 22.4 1.0
C3 C:CL81141 4.8 47.0 1.0
C6 C:CL81141 4.8 44.1 1.0
C C:ILE112 4.8 21.6 1.0
C C:GLY113 4.9 18.0 1.0
O C:HOH2095 4.9 25.6 1.0
C9 C:CL81141 5.0 43.9 1.0
N C:ILE114 5.0 16.1 1.0

Chlorine binding site 7 out of 12 in 2jkn

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Chlorine binding site 7 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1141

b:27.6
occ:1.00
CL1 D:CL81141 0.0 27.6 1.0
C1 D:CL81141 1.8 30.5 1.0
C2 D:CL81141 2.7 33.4 1.0
O2 D:CL81141 2.9 31.1 1.0
CL2 D:CL81141 3.0 32.2 1.0
O D:GLY42 3.2 20.8 1.0
O D:ILE114 3.3 17.9 1.0
N D:ILE114 3.5 15.0 1.0
C D:GLY42 3.5 22.3 1.0
CE1 D:TYR115 3.6 18.5 1.0
CB D:PRO40 3.7 22.0 1.0
N D:GLY42 3.7 21.0 1.0
CZ D:TYR115 3.8 21.1 1.0
CA D:GLY113 3.8 14.4 1.0
N2 D:CL81141 3.8 39.0 1.0
CA D:GLY42 3.9 20.2 1.0
CA D:PRO40 4.0 19.7 1.0
C D:ILE114 4.0 18.4 1.0
C D:GLY113 4.0 17.0 1.0
OH D:TYR115 4.0 20.1 1.0
N D:ILE41 4.1 17.4 1.0
CD1 D:TYR115 4.1 18.7 1.0
N D:PRO43 4.2 19.7 1.0
CE2 D:TYR115 4.3 18.3 1.0
CA D:ILE114 4.4 14.9 1.0
C D:PRO40 4.4 22.1 1.0
C13 D:CL81141 4.4 51.1 0.3
C14 D:CL81141 4.5 48.9 0.3
C13 D:CL81141 4.5 50.0 0.3
C13 D:CL81141 4.6 46.9 0.3
CA D:PRO43 4.6 18.4 1.0
CG D:TYR115 4.6 16.5 1.0
C14 D:CL81141 4.6 50.3 0.3
C D:ILE41 4.7 23.8 1.0
CD2 D:TYR115 4.7 17.0 1.0
CD D:PRO43 4.9 21.8 1.0
N D:TYR115 5.0 14.3 1.0
CA D:ILE41 5.0 16.9 1.0

Chlorine binding site 8 out of 12 in 2jkn

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Chlorine binding site 8 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1141

b:32.2
occ:1.00
CL2 D:CL81141 0.0 32.2 1.0
C1 D:CL81141 1.8 30.5 1.0
C2 D:CL81141 2.8 33.4 1.0
CL1 D:CL81141 3.0 27.6 1.0
N2 D:CL81141 3.4 39.0 1.0
O2 D:CL81141 3.4 31.1 1.0
C14 D:CL81141 3.6 48.9 0.3
CA D:GLY113 3.6 14.4 1.0
CB D:PRO43 3.7 20.0 1.0
CA D:PRO43 3.8 18.4 1.0
OH D:TYR115 3.9 20.1 1.0
CG2 D:ILE111 4.0 17.9 1.0
CG2 D:THR88 4.1 17.2 1.0
N D:PRO43 4.1 19.7 1.0
O D:GLY42 4.4 20.8 1.0
C D:GLY42 4.4 22.3 1.0
N D:GLY113 4.4 14.9 1.0
CZ D:TYR115 4.6 21.1 1.0
CD D:PRO43 4.6 21.8 1.0
C11 D:CL81141 4.6 41.3 1.0
C13 D:CL81141 4.6 50.0 0.3
C13 D:CL81141 4.6 51.1 0.3
CG D:PRO43 4.7 25.3 1.0
C15 D:CL81141 4.7 48.9 0.3
O16 D:CL81141 4.7 48.4 0.3
C10 D:CL81141 4.7 41.4 1.0
C3 D:CL81141 4.8 45.1 1.0
C6 D:CL81141 4.8 41.5 1.0
O D:ILE112 4.8 17.8 1.0
C D:GLY113 4.9 17.0 1.0
C D:ILE112 4.9 18.1 1.0
C9 D:CL81141 5.0 41.7 1.0

Chlorine binding site 9 out of 12 in 2jkn

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Chlorine binding site 9 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1141

b:29.3
occ:1.00
CL1 E:CL81141 0.0 29.3 1.0
C1 E:CL81141 1.8 31.4 1.0
C2 E:CL81141 2.7 34.2 1.0
O2 E:CL81141 2.9 31.8 1.0
CL2 E:CL81141 3.0 33.0 1.0
O E:ILE114 3.3 18.7 1.0
O E:GLY42 3.4 22.2 1.0
N E:ILE114 3.4 15.6 1.0
C E:GLY42 3.5 23.4 1.0
CE1 E:TYR115 3.6 19.4 1.0
CB E:PRO40 3.7 23.1 1.0
CA E:GLY113 3.7 15.6 1.0
N E:GLY42 3.7 21.4 1.0
CZ E:TYR115 3.7 21.4 1.0
N2 E:CL81141 3.7 39.9 1.0
C E:GLY113 3.9 17.3 1.0
OH E:TYR115 4.0 21.6 1.0
CA E:GLY42 4.0 20.7 1.0
C E:ILE114 4.0 19.1 1.0
CA E:PRO40 4.0 20.3 1.0
CD1 E:TYR115 4.1 19.6 1.0
N E:PRO43 4.1 20.6 1.0
N E:ILE41 4.2 18.2 1.0
CE2 E:TYR115 4.3 18.9 1.0
CA E:ILE114 4.3 15.7 1.0
C13 E:CL81141 4.4 51.9 0.3
C14 E:CL81141 4.4 49.6 0.3
C E:PRO40 4.5 22.8 1.0
C13 E:CL81141 4.5 50.8 0.3
CA E:PRO43 4.6 19.2 1.0
C13 E:CL81141 4.6 47.6 0.3
CG E:TYR115 4.6 17.2 1.0
C14 E:CL81141 4.7 51.0 0.3
CD2 E:TYR115 4.7 17.8 1.0
C E:ILE41 4.8 24.3 1.0
CD E:PRO43 4.9 22.4 1.0
N E:TYR115 5.0 15.2 1.0

Chlorine binding site 10 out of 12 in 2jkn

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Chlorine binding site 10 out of 12 in the Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Drae Adhesin in Complex with Chloramphenicol Succinate (Trigonal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1141

b:33.0
occ:1.00
CL2 E:CL81141 0.0 33.0 1.0
C1 E:CL81141 1.8 31.4 1.0
C2 E:CL81141 2.8 34.2 1.0
CL1 E:CL81141 3.0 29.3 1.0
O2 E:CL81141 3.4 31.8 1.0
N2 E:CL81141 3.5 39.9 1.0
CA E:GLY113 3.6 15.6 1.0
CB E:PRO43 3.7 21.1 1.0
C14 E:CL81141 3.7 49.6 0.3
CA E:PRO43 3.8 19.2 1.0
OH E:TYR115 3.9 21.6 1.0
CG2 E:ILE111 3.9 18.9 1.0
CG2 E:THR88 4.0 17.7 1.0
N E:PRO43 4.1 20.6 1.0
N E:GLY113 4.4 15.8 1.0
C E:GLY42 4.5 23.4 1.0
O E:GLY42 4.5 22.2 1.0
CZ E:TYR115 4.6 21.4 1.0
C11 E:CL81141 4.6 41.9 1.0
CG E:PRO43 4.7 26.0 1.0
CD E:PRO43 4.7 22.4 1.0
C10 E:CL81141 4.7 42.2 1.0
C13 E:CL81141 4.7 50.8 0.3
O16 E:CL81141 4.7 49.2 0.3
C15 E:CL81141 4.7 49.6 0.3
C13 E:CL81141 4.8 51.9 0.3
C E:GLY113 4.8 17.3 1.0
C6 E:CL81141 4.8 42.4 1.0
O E:ILE112 4.8 18.8 1.0
C3 E:CL81141 4.9 45.9 1.0
C E:ILE112 4.9 18.7 1.0
C9 E:CL81141 4.9 42.8 1.0
N E:ILE114 4.9 15.6 1.0

Reference:

D.M.Pettigrew, P.Roversi, S.G.Davies, A.J.Russell, S.M.Lea. A Structural Study of the Interaction Between the Dr Haemagglutinin Drae and Derivatives of Chloramphenicol. Acta Crystallogr. D Biol. V. 65 513 2009CRYSTALLOGR..
ISSN: ESSN 1399-0047
PubMed: 19465765
DOI: 10.1107/S0907444909005113
Page generated: Thu Jul 10 23:11:57 2025

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