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Chlorine in PDB 6tqr: The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3.

Protein crystallography data

The structure of The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3., PDB code: 6tqr 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) 42.26 / 1.85
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 39.140, 43.780, 83.640, 89.46, 92.91, 105.13
R / Rfree (%) 20.4 / 25.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3. (pdb code 6tqr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3., PDB code: 6tqr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6tqr

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Chlorine binding site 1 out of 7 in the The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:47.6
occ:1.00
 N A:ASP44 3.3 29.7 1.0
CB A:SER43 3.6 26.3 1.0
CG A:ARG45 3.6 38.7 1.0
CD A:ARG45 3.6 41.4 1.0
CB A:ASP44 4.0 33.6 1.0
CA A:ASP44 4.1 31.4 1.0
CA A:SER43 4.2 27.5 1.0
N A:ARG45 4.2 30.9 1.0
C A:SER43 4.2 28.9 1.0
CG A:ASP44 4.3 36.0 1.0
OD2 A:ASP44 4.4 38.0 1.0
C A:ASP44 4.4 32.1 1.0
OG A:SER43 4.4 27.6 1.0
CB A:ARG45 4.6 34.7 1.0
CE1 A:PHE101 5.0 34.7 1.0

Chlorine binding site 2 out of 7 in 6tqr

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Chlorine binding site 2 out of 7 in the The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:53.8
occ:1.00
 O A:HOH477 2.6 46.7 1.0
OG1 A:THR21 2.7 39.1 1.0
N A:THR21 2.8 34.5 1.0
N A:ASP22 2.9 35.1 1.0
CD A:PRO20 3.3 30.5 1.0
CA A:THR21 3.5 36.6 1.0
CG A:PRO20 3.5 30.6 1.0
N A:PRO20 3.6 30.1 1.0
CB A:THR21 3.6 38.0 1.0
C A:THR21 3.6 36.9 1.0
CB A:PRO19 3.8 24.3 1.0
CA A:ASP22 3.9 33.5 1.0
C A:PRO20 3.9 32.3 1.0
O A:ASP22 3.9 30.8 1.0
CB A:ASP22 4.0 37.9 1.0
C A:PRO19 4.1 28.6 1.0
CA A:PRO20 4.2 29.8 1.0
OD1 A:ASP22 4.3 43.2 1.0
CG2 A:THR21 4.3 38.3 1.0
CG A:ASP22 4.3 41.6 1.0
CA A:PRO19 4.3 25.7 1.0
C A:ASP22 4.4 30.9 1.0
CB A:PRO20 4.4 29.5 1.0
O A:PRO19 4.8 30.3 1.0
O A:THR21 4.8 39.3 1.0
CG A:PRO19 4.9 23.3 1.0

Chlorine binding site 3 out of 7 in 6tqr

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Chlorine binding site 3 out of 7 in the The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:49.6
occ:1.00
 N B:VAL61 3.1 23.9 1.0
O B:HOH327 3.2 38.5 1.0
NH2 A:ARG62 3.4 25.8 1.0
O B:HOH319 3.4 55.3 1.0
ND2 B:ASN64 3.6 28.9 1.0
O B:VAL61 3.8 27.6 1.0
CA B:CYS60 3.9 28.0 1.0
CB B:VAL61 3.9 22.6 1.0
CA B:VAL61 4.0 23.0 1.0
C B:CYS60 4.0 25.0 1.0
SG B:CYS60 4.1 35.6 1.0
NH1 B:ARG62 4.2 30.0 1.0
CD E:PRO211 4.2 62.2 1.0
C B:VAL61 4.4 25.4 1.0
O E:HOH303 4.4 30.6 1.0
CG2 B:VAL61 4.5 24.5 1.0
CB B:ASN64 4.5 27.7 1.0
CB E:PRO210 4.5 60.0 1.0
CG B:ASN64 4.5 30.3 1.0
CZ A:ARG62 4.6 26.9 1.0
CB B:CYS60 4.6 31.5 1.0
CA E:PRO210 4.7 60.6 1.0
O B:TYR59 4.7 31.2 1.0
N B:CYS60 4.9 27.6 1.0

Chlorine binding site 4 out of 7 in 6tqr

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Chlorine binding site 4 out of 7 in the The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:44.8
occ:1.00
 N C:ASP44 3.1 30.3 1.0
CB C:SER43 3.4 27.6 1.0
NE C:ARG45 3.8 37.2 1.0
CB C:ASP44 3.8 31.9 1.0
CA C:ASP44 3.9 29.1 1.0
CA C:SER43 3.9 26.9 1.0
C C:SER43 4.0 29.4 1.0
OG C:SER43 4.1 28.0 1.0
NH2 C:ARG45 4.1 41.1 1.0
CG C:ASP44 4.1 32.7 1.0
OD2 C:ASP44 4.2 33.3 1.0
N C:ARG45 4.3 27.7 1.0
C C:ASP44 4.3 26.0 1.0
O C:HOH412 4.3 34.4 1.0
CZ C:ARG45 4.4 40.3 1.0
CG C:ARG45 4.5 33.7 1.0
CD C:ARG45 4.7 36.0 1.0
CB C:ARG45 4.8 30.3 1.0
OD1 C:ASP44 4.8 32.5 1.0

Chlorine binding site 5 out of 7 in 6tqr

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Chlorine binding site 5 out of 7 in the The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:55.0
occ:1.00
 O D:HOH414 2.8 43.7 1.0
O D:HOH444 3.5 61.2 1.0
N D:VAL61 3.5 24.9 1.0
NH2 C:ARG62 3.5 25.5 0.5
ND2 D:ASN64 3.5 25.5 1.0
CD F:PRO211 3.8 87.0 1.0
NH2 C:ARG62 3.8 25.2 0.5
O D:VAL61 3.9 23.2 1.0
CB D:VAL61 4.0 19.6 1.0
CA D:VAL61 4.2 22.0 1.0
CA D:CYS60 4.2 28.0 1.0
CG F:PRO211 4.3 88.1 1.0
C D:CYS60 4.3 25.4 1.0
CG2 D:VAL61 4.4 18.7 1.0
CB D:ASN64 4.4 23.5 1.0
CG D:ASN64 4.5 25.4 1.0
O D:TYR59 4.5 26.0 1.0
C D:VAL61 4.5 23.1 1.0
SG D:CYS60 4.7 38.5 1.0
CZ C:ARG62 4.7 24.6 0.5
O C:HOH413 4.8 31.8 1.0

Chlorine binding site 6 out of 7 in 6tqr

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Chlorine binding site 6 out of 7 in the The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:31.9
occ:1.00
 N D:GLN13 3.3 32.6 1.0
CD B:LYS125 3.5 30.7 1.0
NZ B:LYS94 3.7 38.0 1.0
CA D:GLU12 3.7 35.5 1.0
CE B:LYS125 3.8 34.0 1.0
C D:GLU12 4.0 34.7 1.0
CB D:GLU12 4.0 38.0 1.0
CG D:GLU12 4.1 40.9 1.0
CB D:GLN13 4.1 28.4 1.0
CE2 E:PHE207 4.2 33.7 1.0
CZ E:PHE207 4.2 33.2 1.0
CA D:GLN13 4.3 30.5 1.0
O D:HOH421 4.4 33.3 1.0
O D:ASP123 4.4 29.8 1.0
O D:HOH422 4.5 38.2 1.0
CE B:LYS94 4.5 37.3 1.0
OE2 D:GLU12 4.6 43.8 1.0
NZ B:LYS125 4.7 35.8 1.0
CD B:LYS94 4.7 35.4 1.0
O D:HIS11 4.8 34.0 1.0
CD D:GLU12 4.9 42.8 1.0
N D:GLU12 4.9 35.5 1.0
CG B:LYS125 5.0 28.8 1.0

Chlorine binding site 7 out of 7 in 6tqr

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Chlorine binding site 7 out of 7 in the The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of the Msp Domain of Human Vap-A in Complex with the Phospho-Ffat Motif of STARD3. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:38.1
occ:1.00
 NZ D:LYS94 3.0 42.0 1.0
O D:HOH451 3.2 36.8 1.0
N B:GLN13 3.3 32.4 1.0
NZ D:LYS125 3.4 37.8 1.0
CA B:GLU12 3.6 37.4 1.0
CB B:GLU12 3.8 40.2 1.0
CD D:LYS125 3.8 29.6 1.0
CD D:LYS94 3.9 35.6 1.0
CG B:GLU12 3.9 43.7 1.0
C B:GLU12 4.0 36.2 1.0
CE D:LYS125 4.0 33.3 1.0
CE D:LYS94 4.1 39.7 1.0
CE2 F:PHE207 4.1 34.9 1.0
O D:HOH409 4.2 30.6 1.0
CB B:GLN13 4.2 27.7 1.0
CA B:GLN13 4.4 28.9 1.0
CZ F:PHE207 4.4 33.4 1.0
OE2 B:GLU12 4.5 47.6 1.0
O B:ASP123 4.5 30.8 1.0
O B:HOH313 4.6 52.7 1.0
CD B:GLU12 4.7 47.1 1.0
N B:GLU12 4.8 37.5 1.0
O B:HIS11 4.9 35.5 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: Sat Jul 12 20:16:03 2025

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