Fluorine in PDB 6tqs: The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.

Protein crystallography data

The structure of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1., PDB code: 6tqs was solved by A.G.Mcewen, P.Poussin-Courmontagne, T.Di Mattia, C.Wendling, J.Cavarelli, C.Tomasetto, F.Alpy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.64 / 2.25
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 126.874, 126.874, 184.449, 90.00, 90.00, 120.00
R / Rfree (%) 21.7 / 26

Other elements in 6tqs:

The structure of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Fluorine atom in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. (pdb code 6tqs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 18 binding sites of Fluorine where determined in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1., PDB code: 6tqs:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 18 in 6tqs

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Fluorine binding site 1 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F503

b:46.2
occ:1.00
 F1 A:TFA503 0.0 46.2 1.0
C2 A:TFA503 1.3 43.8 1.0
F2 A:TFA503 2.2 44.1 1.0
F3 A:TFA503 2.2 45.0 1.0
C1 A:TFA503 2.3 41.2 1.0
OXT A:TFA503 2.7 41.0 1.0
CB A:ALA409 3.3 39.1 1.0
O A:TFA503 3.4 37.4 1.0
CB A:LEU328 3.5 34.2 1.0
CG A:LEU328 3.6 32.7 1.0
CD1 A:LEU328 3.7 31.8 1.0
N A:LEU328 3.8 37.8 1.0
CB A:MET436 3.8 30.1 1.0
CB A:LEU327 4.1 42.4 1.0
CA A:LEU328 4.3 37.4 1.0
O A:MET436 4.5 42.5 1.0
CA A:ALA409 4.6 35.7 1.0
C A:MET436 4.6 39.5 1.0
CD1 A:ILE330 4.7 34.2 1.0
C A:LEU327 4.7 39.0 1.0
O A:LEU328 4.7 41.5 1.0
CG A:MET436 4.8 33.1 1.0
N A:ALA409 4.8 36.5 1.0
CA A:LEU327 4.8 37.7 1.0
CA A:MET436 4.9 35.3 1.0
C A:LEU328 4.9 39.7 1.0
N A:LEU327 5.0 34.1 1.0

Fluorine binding site 2 out of 18 in 6tqs

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Fluorine binding site 2 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F503

b:44.1
occ:1.00
 F2 A:TFA503 0.0 44.1 1.0
C2 A:TFA503 1.3 43.8 1.0
F1 A:TFA503 2.2 46.2 1.0
F3 A:TFA503 2.2 45.0 1.0
C1 A:TFA503 2.3 41.2 1.0
O A:TFA503 2.6 37.4 1.0
O A:HOH612 3.2 37.4 1.0
CB A:MET436 3.4 30.1 1.0
OXT A:TFA503 3.4 41.0 1.0
N A:GLU437 3.5 38.2 1.0
C A:MET436 3.5 39.5 1.0
C A:GLU437 3.6 40.9 1.0
O A:GLU437 3.6 39.6 1.0
O A:MET436 3.8 42.5 1.0
CA A:GLU437 3.9 39.9 1.0
N A:HIS438 4.0 38.1 1.0
CB A:HIS438 4.0 36.9 1.0
CA A:MET436 4.1 35.3 1.0
CE2 A:PHE323 4.6 43.9 1.0
CA A:HIS438 4.6 37.3 1.0
O A:ILE407 4.6 41.9 1.0
CG A:MET436 4.7 33.1 1.0
CB A:ALA409 4.7 39.1 1.0
CD1 A:ILE330 4.7 34.2 1.0
O D:SER340 5.0 45.1 1.0

Fluorine binding site 3 out of 18 in 6tqs

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Fluorine binding site 3 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F503

b:45.0
occ:1.00
 F3 A:TFA503 0.0 45.0 1.0
C2 A:TFA503 1.3 43.8 1.0
F2 A:TFA503 2.2 44.1 1.0
F1 A:TFA503 2.2 46.2 1.0
C1 A:TFA503 2.3 41.2 1.0
OXT A:TFA503 3.0 41.0 1.0
O A:TFA503 3.0 37.4 1.0
CD1 A:ILE330 3.4 34.2 1.0
CE2 A:PHE323 3.5 43.9 1.0
O A:LEU328 3.7 41.5 1.0
CB A:LEU328 3.8 34.2 1.0
CG1 A:ILE330 4.0 34.4 1.0
CD2 A:PHE323 4.0 42.7 1.0
CB A:HIS438 4.2 36.9 1.0
O A:HOH612 4.3 37.4 1.0
N A:LEU328 4.3 37.8 1.0
C A:LEU328 4.3 39.7 1.0
CA A:LEU328 4.4 37.4 1.0
CG A:LEU328 4.6 32.7 1.0
CZ A:PHE323 4.7 47.1 1.0
CD1 A:LEU328 4.7 31.8 1.0
CA A:GLY325 4.8 35.0 1.0
CG A:HIS438 4.9 41.5 1.0
N A:GLY325 5.0 39.1 1.0

Fluorine binding site 4 out of 18 in 6tqs

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Fluorine binding site 4 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:59.8
occ:1.00
 F1 B:TFA601 0.0 59.8 1.0
C2 B:TFA601 1.3 58.0 1.0
F3 B:TFA601 2.2 57.5 1.0
F2 B:TFA601 2.2 59.5 1.0
C1 B:TFA601 2.3 54.5 1.0
O B:TFA601 2.6 52.4 1.0
CB B:ALA409 3.2 54.3 1.0
OXT B:TFA601 3.4 56.2 1.0
CB B:LEU328 3.6 58.7 1.0
N B:LEU328 3.8 59.9 1.0
CB B:MET436 3.8 57.6 1.0
CG B:LEU328 3.8 59.9 1.0
CD1 B:LEU328 3.9 61.7 1.0
CB B:LEU327 4.0 52.4 1.0
CA B:LEU328 4.2 60.3 1.0
C B:LEU327 4.5 58.9 1.0
CG B:MET436 4.5 62.6 1.0
CA B:ALA409 4.6 57.4 1.0
CA B:LEU327 4.7 53.8 1.0
O B:LEU328 4.7 54.4 1.0
CD1 B:ILE330 4.7 50.9 1.0
N B:LEU327 4.8 48.9 1.0
O B:MET436 4.8 58.7 1.0
C B:MET436 4.8 59.6 1.0
C B:LEU328 4.9 59.5 1.0
N B:ALA409 4.9 58.0 1.0
CA B:MET436 4.9 55.0 1.0
CG B:LEU327 5.0 56.3 1.0

Fluorine binding site 5 out of 18 in 6tqs

Go back to Fluorine Binding Sites List in 6tqs
Fluorine binding site 5 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:59.5
occ:1.00
 F2 B:TFA601 0.0 59.5 1.0
C2 B:TFA601 1.3 58.0 1.0
F3 B:TFA601 2.2 57.5 1.0
F1 B:TFA601 2.2 59.8 1.0
C1 B:TFA601 2.3 54.5 1.0
OXT B:TFA601 2.7 56.2 1.0
O B:HOH705 3.2 63.2 1.0
CB B:MET436 3.4 57.6 1.0
O B:TFA601 3.4 52.4 1.0
N B:GLU437 3.7 56.6 1.0
C B:GLU437 3.7 59.2 1.0
C B:MET436 3.8 59.6 1.0
O B:GLU437 3.8 58.8 1.0
CB B:HIS438 4.0 62.1 1.0
CA B:GLU437 4.1 56.2 1.0
N B:HIS438 4.1 63.3 1.0
O B:MET436 4.1 58.7 1.0
CA B:MET436 4.2 55.0 1.0
CD1 B:ILE330 4.5 50.9 1.0
CE2 B:PHE323 4.5 58.6 1.0
CG B:MET436 4.5 62.6 1.0
O B:ILE407 4.6 56.5 1.0
CB B:ALA409 4.6 54.3 1.0
CA B:HIS438 4.6 64.5 1.0

Fluorine binding site 6 out of 18 in 6tqs

Go back to Fluorine Binding Sites List in 6tqs
Fluorine binding site 6 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:57.5
occ:1.00
 F3 B:TFA601 0.0 57.5 1.0
C2 B:TFA601 1.3 58.0 1.0
F2 B:TFA601 2.2 59.5 1.0
F1 B:TFA601 2.2 59.8 1.0
C1 B:TFA601 2.3 54.5 1.0
OXT B:TFA601 2.9 56.2 1.0
O B:TFA601 3.0 52.4 1.0
CD1 B:ILE330 3.3 50.9 1.0
CE2 B:PHE323 3.7 58.6 1.0
O B:LEU328 3.7 54.4 1.0
CG1 B:ILE330 3.8 50.0 1.0
CB B:LEU328 3.8 58.7 1.0
CD2 B:PHE323 4.0 57.3 1.0
C B:LEU328 4.2 59.5 1.0
N B:LEU328 4.2 59.9 1.0
O B:HOH705 4.3 63.2 1.0
CA B:LEU328 4.3 60.3 1.0
CB B:HIS438 4.3 62.1 1.0
CA B:GLY325 4.7 51.3 1.0
CG B:LEU328 4.7 59.9 1.0
CD1 B:LEU328 4.9 61.7 1.0
N B:GLY325 4.9 53.2 1.0
CZ B:PHE323 4.9 57.7 1.0

Fluorine binding site 7 out of 18 in 6tqs

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Fluorine binding site 7 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F602

b:40.7
occ:1.00
 F1 C:TFA602 0.0 40.7 1.0
C2 C:TFA602 1.3 40.4 1.0
F2 C:TFA602 2.2 40.1 1.0
F3 C:TFA602 2.2 42.2 1.0
C1 C:TFA602 2.3 37.7 1.0
OXT C:TFA602 2.6 38.9 1.0
CB C:LEU328 3.3 35.7 1.0
O C:TFA602 3.4 34.5 1.0
CB C:ALA409 3.5 37.3 1.0
CG C:LEU328 3.5 34.0 1.0
N C:LEU328 3.6 38.0 1.0
CD1 C:LEU328 3.7 29.6 1.0
CB C:MET436 3.8 34.0 1.0
CA C:LEU328 4.0 35.9 1.0
CB C:LEU327 4.1 41.7 1.0
C C:LEU327 4.5 39.3 1.0
O C:MET436 4.6 36.9 1.0
O C:LEU328 4.6 39.3 1.0
CG C:MET436 4.6 36.2 1.0
C C:MET436 4.7 37.7 1.0
CA C:LEU327 4.7 37.8 1.0
CA C:ALA409 4.7 39.5 1.0
C C:LEU328 4.7 35.9 1.0
CD1 C:ILE330 4.7 29.1 1.0
N C:LEU327 4.9 35.0 1.0
CA C:MET436 4.9 35.6 1.0
N C:ALA409 4.9 39.2 1.0
CD2 C:LEU328 4.9 35.9 1.0
CG C:LEU327 5.0 41.2 1.0

Fluorine binding site 8 out of 18 in 6tqs

Go back to Fluorine Binding Sites List in 6tqs
Fluorine binding site 8 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F602

b:40.1
occ:1.00
 F2 C:TFA602 0.0 40.1 1.0
C2 C:TFA602 1.3 40.4 1.0
F3 C:TFA602 2.2 42.2 1.0
F1 C:TFA602 2.2 40.7 1.0
C1 C:TFA602 2.3 37.7 1.0
O C:TFA602 2.7 34.5 1.0
CB C:MET436 3.3 34.0 1.0
O C:HOH702 3.4 39.9 1.0
OXT C:TFA602 3.4 38.9 1.0
C C:MET436 3.5 37.7 1.0
N C:GLU437 3.5 36.4 1.0
C C:GLU437 3.7 37.4 1.0
O C:MET436 3.8 36.9 1.0
O C:GLU437 3.9 36.9 1.0
CA C:GLU437 3.9 35.1 1.0
N C:HIS438 4.0 36.0 1.0
CA C:MET436 4.0 35.6 1.0
CB C:HIS438 4.1 36.3 1.0
CG C:MET436 4.5 36.2 1.0
O C:ILE407 4.5 36.3 1.0
CE2 C:PHE323 4.6 43.7 1.0
CA C:HIS438 4.6 35.8 1.0
CD1 C:ILE330 4.7 29.1 1.0
CB C:ALA409 4.8 37.3 1.0
O F:SER340 5.0 41.2 1.0

Fluorine binding site 9 out of 18 in 6tqs

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Fluorine binding site 9 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F602

b:42.2
occ:1.00
 F3 C:TFA602 0.0 42.2 1.0
C2 C:TFA602 1.3 40.4 1.0
F2 C:TFA602 2.2 40.1 1.0
F1 C:TFA602 2.2 40.7 1.0
C1 C:TFA602 2.3 37.7 1.0
O C:TFA602 2.9 34.5 1.0
OXT C:TFA602 2.9 38.9 1.0
CD1 C:ILE330 3.4 29.1 1.0
CE2 C:PHE323 3.5 43.7 1.0
CB C:LEU328 3.6 35.7 1.0
O C:LEU328 3.7 39.3 1.0
CG1 C:ILE330 4.0 33.3 1.0
CD2 C:PHE323 4.0 43.2 1.0
N C:LEU328 4.1 38.0 1.0
C C:LEU328 4.2 35.9 1.0
CA C:LEU328 4.2 35.9 1.0
CB C:HIS438 4.2 36.3 1.0
O C:HOH702 4.5 39.9 1.0
CG C:LEU328 4.5 34.0 1.0
CD1 C:LEU328 4.6 29.6 1.0
CZ C:PHE323 4.7 40.2 1.0
CA C:GLY325 4.8 40.4 1.0
N C:GLY325 4.9 42.3 1.0
CG C:HIS438 5.0 41.0 1.0

Fluorine binding site 10 out of 18 in 6tqs

Go back to Fluorine Binding Sites List in 6tqs
Fluorine binding site 10 out of 18 in the The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of The Crystal Structure of the Msp Domain of Human MOSPD2 in Complex with the Conventional Ffat Motif of ORP1. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F601

b:64.9
occ:1.00
 F1 D:TFA601 0.0 64.9 1.0
C2 D:TFA601 1.3 64.3 1.0
F2 D:TFA601 2.2 66.2 1.0
F3 D:TFA601 2.2 62.7 1.0
C1 D:TFA601 2.3 63.8 1.0
O D:TFA601 2.6 59.9 1.0
OXT D:TFA601 3.4 64.5 1.0
CB D:LEU328 3.5 49.2 1.0
CB D:MET436 3.6 63.0 1.0
CG D:LEU328 3.7 43.9 1.0
N D:LEU328 3.7 55.6 1.0
CB D:ALA409 3.7 59.3 1.0
CD1 D:LEU328 4.0 39.6 1.0
CB D:LEU327 4.0 52.6 1.0
CA D:LEU328 4.2 53.9 1.0
O D:MET436 4.4 66.2 1.0
CG D:MET436 4.5 68.6 1.0
C D:MET436 4.6 65.8 1.0
C D:LEU327 4.6 55.4 1.0
O D:LEU328 4.6 58.0 1.0
CA D:LEU327 4.7 54.7 1.0
CD1 D:ILE330 4.7 62.4 1.0
CA D:MET436 4.7 65.4 1.0
N D:LEU327 4.8 57.6 1.0
C D:LEU328 4.8 55.9 1.0
CG D:LEU327 4.9 58.7 1.0
CA D:ALA409 4.9 62.3 1.0

Reference:

T.Di Mattia, A.Martinet, S.Ikhlef, A.G.Mcewen, Y.Nomine, C.Wendling, P.Poussin-Courmontagne, L.Voilquin, P.Eberling, F.Ruffenach, J.Cavarelli, J.Slee, T.P.Levine, G.Drin, C.Tomasetto, F.Alpy. Ffat Motif Phosphorylation Controls Formation and Lipid Transfer Function of Inter-Organelle Contacts. Embo J. 04369 2020.
ISSN: ESSN 1460-2075
PubMed: 33124732
DOI: 10.15252/EMBJ.2019104369
Page generated: Sun Dec 13 13:15:45 2020

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