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Chlorine in PDB 2uxp: Ttgr in Complex Chloramphenicol

Protein crystallography data

The structure of Ttgr in Complex Chloramphenicol, PDB code: 2uxp was solved by Y.Alguel, C.Meng, W.Teran, T.Krell, J.L.Ramos, M.-T.Gallegos, X.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.55 / 2.7
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 46.457, 230.673, 44.006, 90.00, 90.00, 90.00
R / Rfree (%) 23.2 / 29.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ttgr in Complex Chloramphenicol (pdb code 2uxp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ttgr in Complex Chloramphenicol, PDB code: 2uxp:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2uxp

Go back to Chlorine Binding Sites List in 2uxp
Chlorine binding site 1 out of 4 in the Ttgr in Complex Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ttgr in Complex Chloramphenicol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1211

b:90.3
occ:0.69
CL1 A:CLM1211 0.0 90.3 0.7
C1 A:CLM1211 1.8 90.7 0.7
C2 A:CLM1211 2.7 90.9 0.7
CL2 A:CLM1211 3.0 90.7 0.7
O2 A:CLM1211 3.1 91.0 0.7
N2 A:CLM1211 3.7 91.2 0.7
CB A:LEU66 4.0 70.3 1.0
CD2 A:HIS70 4.0 77.1 1.0
O A:LEU66 4.0 71.1 1.0
NE2 A:HIS70 4.2 77.8 1.0
ND1 A:HIS67 4.3 0.3 1.0
C A:LEU66 4.4 71.3 1.0
CD1 A:LEU66 4.7 67.7 1.0
CE1 A:HIS67 4.7 0.3 1.0
CA A:LEU66 4.8 70.5 1.0
CG1 A:VAL96 4.8 53.2 1.0
CG A:LEU66 4.9 69.6 1.0
C3 A:CLM1211 4.9 90.9 0.7

Chlorine binding site 2 out of 4 in 2uxp

Go back to Chlorine Binding Sites List in 2uxp
Chlorine binding site 2 out of 4 in the Ttgr in Complex Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ttgr in Complex Chloramphenicol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1211

b:90.7
occ:0.69
CL2 A:CLM1211 0.0 90.7 0.7
C1 A:CLM1211 1.8 90.7 0.7
C2 A:CLM1211 2.7 90.9 0.7
CL1 A:CLM1211 3.0 90.3 0.7
O2 A:CLM1211 3.1 91.0 0.7
N2 A:CLM1211 3.6 91.2 0.7
CD1 A:LEU66 4.2 67.7 1.0
CE1 A:HIS67 4.3 0.3 1.0
ND1 A:HIS67 4.8 0.3 1.0
C3 A:CLM1211 4.9 90.9 0.7
ND2 A:ASN110 4.9 44.8 1.0
CB A:LEU66 4.9 70.3 1.0

Chlorine binding site 3 out of 4 in 2uxp

Go back to Chlorine Binding Sites List in 2uxp
Chlorine binding site 3 out of 4 in the Ttgr in Complex Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ttgr in Complex Chloramphenicol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1211

b:1.0
occ:0.71
CL1 B:CLM1211 0.0 1.0 0.7
C1 B:CLM1211 1.9 0.5 0.7
C2 B:CLM1211 2.8 0.1 0.7
O B:HOH2057 2.9 39.3 1.0
O B:HOH2056 3.0 30.1 1.0
N2 B:CLM1211 3.1 99.4 0.7
CL2 B:CLM1211 3.2 0.5 0.7
SG B:CYS137 3.4 68.0 1.0
C7 B:CLM1211 3.6 97.4 0.7
CB B:CYS137 3.7 64.1 1.0
O2 B:CLM1211 3.8 0.2 0.7
C8 B:CLM1211 4.1 96.7 0.7
C3 B:CLM1211 4.5 98.4 0.7
CA B:CYS137 4.6 63.9 1.0
CD2 B:HIS67 4.7 85.5 1.0
C6 B:CLM1211 4.7 97.5 0.7
NE2 B:HIS67 4.7 85.5 1.0
C5 B:CLM1211 5.0 97.7 0.7

Chlorine binding site 4 out of 4 in 2uxp

Go back to Chlorine Binding Sites List in 2uxp
Chlorine binding site 4 out of 4 in the Ttgr in Complex Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ttgr in Complex Chloramphenicol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1211

b:0.5
occ:0.71
CL2 B:CLM1211 0.0 0.5 0.7
C1 B:CLM1211 1.9 0.5 0.7
C2 B:CLM1211 2.7 0.1 0.7
O2 B:CLM1211 2.8 0.2 0.7
O B:HOH2014 3.0 35.0 1.0
CL1 B:CLM1211 3.2 1.0 0.7
CD2 B:HIS67 3.4 85.5 1.0
CA B:HIS67 3.7 63.3 1.0
CD2 B:HIS70 3.8 71.8 1.0
O B:HOH2057 3.9 39.3 1.0
O B:LEU66 3.9 60.3 1.0
CG B:HIS67 4.0 85.5 1.0
N2 B:CLM1211 4.0 99.4 0.7
N B:HIS67 4.0 61.5 1.0
C B:LEU66 4.1 60.3 1.0
CB B:HIS67 4.2 85.5 1.0
NE2 B:HIS67 4.3 85.5 1.0
CB B:LEU66 4.5 58.6 1.0
NE2 B:HIS70 4.6 73.1 1.0
O B:HOH2056 4.8 30.1 1.0
C B:HIS67 4.8 63.5 1.0
CG B:HIS70 4.9 70.5 1.0
O B:HIS67 4.9 62.7 1.0

Reference:

Y.Alguel, C.Meng, W.Teran, T.Krell, J.L.Ramos, M.-T.Gallegos, X.Zhang. Crystal Structures of Multidrug Binding Protein Ttgr in Complex with Antibiotics and Plant Antimicrobials. J.Mol.Biol. V. 369 829 2007.
ISSN: ISSN 0022-2836
PubMed: 17466326
DOI: 10.1016/J.JMB.2007.03.062
Page generated: Sat Dec 12 09:19:23 2020

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