Atomistry » Fluorine » PDB 8g9e-8gu1 » 8gu1
Atomistry »
  Fluorine »
    PDB 8g9e-8gu1 »
      8gu1 »

Fluorine in PDB 8gu1: Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide

Protein crystallography data

The structure of Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide, PDB code: 8gu1 was solved by S.Lonare, M.Sharma, A.K.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.80 / 2.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 90.014, 45.795, 115.675, 90, 91.99, 90
R / Rfree (%) 23.7 / 28.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide (pdb code 8gu1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide, PDB code: 8gu1:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 8gu1

Go back to Fluorine Binding Sites List in 8gu1
Fluorine binding site 1 out of 4 in the Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:109.7
occ:1.00
F01 A:1II301 0.0 109.7 1.0
C33 A:1II301 1.4 111.0 1.0
C29 A:1II301 2.4 104.5 1.0
C31 A:1II301 2.6 107.8 1.0
CG A:PRO162 3.0 15.2 1.0
CZ A:PHE144 3.1 10.2 1.0
CE2 A:PHE144 3.4 10.9 1.0
CD A:PRO162 3.5 14.8 1.0
C25 A:1II301 3.8 101.9 1.0
CB A:PRO162 3.9 16.3 1.0
C24 A:1II301 3.9 99.4 1.0
C27 A:1II301 4.0 91.9 1.0
C22 A:1II301 4.1 100.9 1.0
C23 A:1II301 4.1 103.0 1.0
CE1 A:PHE144 4.2 9.7 1.0
O A:HOH422 4.3 19.0 1.0
ND2 A:ASN75 4.3 14.4 1.0
CD2 A:HIS95 4.3 8.8 1.0
C20 A:1II301 4.4 92.8 1.0
CG A:PRO165 4.4 13.5 1.0
C18 A:1II301 4.4 98.5 1.0
C19 A:1II301 4.5 99.4 1.0
NE2 A:HIS95 4.5 8.4 1.0
C14 A:1II301 4.6 96.6 1.0
OD1 A:ASN75 4.7 17.9 1.0
CD2 A:PHE144 4.7 10.8 1.0
N A:PRO162 4.9 17.6 1.0
CD A:PRO165 4.9 13.5 1.0
CG A:ASN75 4.9 15.3 1.0

Fluorine binding site 2 out of 4 in 8gu1

Go back to Fluorine Binding Sites List in 8gu1
Fluorine binding site 2 out of 4 in the Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:83.1
occ:1.00
F02 A:1II301 0.0 83.1 1.0
C34 A:1II301 1.3 74.8 1.0
OG1 A:THR14 2.2 12.4 1.0
C30 A:1II301 2.4 74.4 1.0
C32 A:1II301 2.5 76.0 1.0
CB A:SER22 3.0 9.5 1.0
OG A:SER22 3.1 9.8 1.0
O A:ASP15 3.1 11.6 1.0
CB A:THR14 3.4 12.6 1.0
N A:ASP15 3.4 13.7 1.0
C26 A:1II301 3.8 86.5 1.0
C28 A:1II301 3.8 83.0 1.0
CA A:THR14 3.9 13.2 1.0
C A:ASP15 4.0 13.1 1.0
C A:THR14 4.2 13.1 1.0
CG2 A:VAL74 4.2 19.0 1.0
CA A:ASP15 4.3 13.9 1.0
C21 A:1II301 4.3 89.2 1.0
CA A:SER22 4.5 9.8 1.0
CG2 A:THR14 4.5 13.8 1.0
CD2 A:TYR18 4.8 14.5 1.0
CB A:ASP15 4.8 16.0 1.0
O A:SER22 4.8 9.8 1.0
CB A:TYR18 4.8 13.2 1.0
N A:SER22 4.9 10.3 1.0

Fluorine binding site 3 out of 4 in 8gu1

Go back to Fluorine Binding Sites List in 8gu1
Fluorine binding site 3 out of 4 in the Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:110.3
occ:1.00
F01 B:1II301 0.0 110.3 1.0
C33 B:1II301 1.4 98.1 1.0
CZ B:PHE144 2.3 8.7 1.0
C31 B:1II301 2.4 83.6 1.0
C29 B:1II301 2.5 102.0 1.0
C23 B:1II301 2.9 86.5 1.0
CE1 B:PHE144 3.0 8.8 1.0
CE2 B:PHE144 3.2 9.7 1.0
C19 B:1II301 3.2 92.8 1.0
CD1 B:ILE122 3.7 9.8 1.0
C27 B:1II301 3.8 86.7 1.0
C25 B:1II301 3.9 98.0 1.0
CD1 B:PHE144 4.2 9.7 1.0
C24 B:1II301 4.3 92.5 1.0
C20 B:1II301 4.3 92.0 1.0
CD2 B:PHE144 4.4 9.6 1.0
CG2 B:THR125 4.7 10.6 1.0
CE1 B:TYR18 4.7 10.9 1.0
O B:HOH406 4.7 5.8 1.0
C14 B:1II301 4.8 80.3 1.0
CG B:PHE144 4.8 10.1 1.0
CD B:PRO162 4.8 12.1 1.0

Fluorine binding site 4 out of 4 in 8gu1

Go back to Fluorine Binding Sites List in 8gu1
Fluorine binding site 4 out of 4 in the Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Putative Amino Acid Binding Periplasmic Abc Transporter Protein From Candidatus Liberibacter Asiaticus in Complex with Pimozide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:100.8
occ:1.00
F02 B:1II301 0.0 100.8 1.0
C34 B:1II301 1.3 76.2 1.0
C32 B:1II301 2.4 80.5 1.0
C30 B:1II301 2.5 74.3 1.0
O B:ASP15 3.0 13.3 1.0
CB B:SER22 3.0 8.7 1.0
OG B:SER22 3.1 8.0 1.0
CG2 B:THR14 3.1 19.7 1.0
CB B:THR14 3.2 14.6 1.0
N B:ASP15 3.5 15.0 1.0
C26 B:1II301 3.8 82.4 1.0
C28 B:1II301 3.8 87.6 1.0
C B:ASP15 3.9 14.9 1.0
CA B:THR14 4.0 15.5 1.0
CA B:ASP15 4.2 15.1 1.0
C B:THR14 4.3 14.8 1.0
C21 B:1II301 4.3 88.9 1.0
CG2 B:VAL74 4.3 16.4 1.0
OG1 B:THR14 4.4 16.8 1.0
CA B:SER22 4.4 8.8 1.0
CD2 B:TYR18 4.6 11.2 1.0
O B:SER22 4.7 9.5 1.0
CB B:TYR18 4.7 11.8 1.0
CB B:ASP15 4.7 17.4 1.0
N B:SER22 4.9 9.1 1.0
CG B:TYR18 5.0 11.4 1.0
N B:GLY16 5.0 15.9 1.0

Reference:

S.Lonare, M.Sharma, V.Dalal, M.Gubyad, P.Kumar, D.Nath Gupta, A.Pareek, S.Tomar, D.Kumar Ghosh, P.Kumar, A.Kumar Sharma. Identification and Evaluation of Potential Inhibitor Molecules Against Tcya From Candidatus Liberibacter Asiaticus. J.Struct.Biol. V. 215 07992 2023.
ISSN: ESSN 1095-8657
PubMed: 37394197
DOI: 10.1016/J.JSB.2023.107992
Page generated: Fri Aug 2 19:56:41 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy