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Magnesium in PDB 5yjh: Structural Insights Into Periostin Functions

Protein crystallography data

The structure of Structural Insights Into Periostin Functions, PDB code: 5yjh was solved by H.Liu, J.Liu, F.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.04 / 2.96
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 105.529, 105.529, 330.342, 90.00, 90.00, 120.00
R / Rfree (%) 21.3 / 24.2

Other elements in 5yjh:

The structure of Structural Insights Into Periostin Functions also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Calcium (Ca) 3 atoms
Chlorine (Cl) 18 atoms
Sodium (Na) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structural Insights Into Periostin Functions (pdb code 5yjh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the Structural Insights Into Periostin Functions, PDB code: 5yjh:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Magnesium binding site 1 out of 9 in 5yjh

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Magnesium binding site 1 out of 9 in the Structural Insights Into Periostin Functions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Insights Into Periostin Functions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg720

b:55.2
occ:1.00
OG1 A:THR104 2.8 46.0 1.0
O A:ILE217 2.9 37.4 1.0
N A:ASP99 3.0 42.7 1.0
O A:ASP99 3.5 43.6 1.0
CB A:ILE98 3.7 44.3 1.0
CA A:ILE98 3.7 39.1 1.0
CG2 A:THR104 3.8 44.5 1.0
CB A:THR104 3.8 45.6 1.0
CD1 A:ILE107 3.8 41.5 1.0
C A:ILE98 3.9 44.5 1.0
CA A:ASP99 3.9 41.6 1.0
CA A:ALA218 3.9 46.0 1.0
C A:ILE217 3.9 39.7 1.0
C A:ASP99 4.0 43.7 1.0
CG2 A:ILE98 4.0 48.0 1.0
CB A:ALA218 4.1 40.8 1.0
CB A:ASP99 4.1 39.3 1.0
N A:ALA218 4.3 43.6 1.0
CA A:THR104 4.4 50.6 1.0
OE1 A:GLN216 4.5 50.7 1.0
O A:HIS100 4.6 48.1 1.0
N A:THR104 4.9 46.5 1.0

Magnesium binding site 2 out of 9 in 5yjh

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Magnesium binding site 2 out of 9 in the Structural Insights Into Periostin Functions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Insights Into Periostin Functions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg721

b:62.0
occ:1.00
NH1 A:ARG458 2.8 44.6 1.0
O A:GLY529 2.9 61.8 1.0
CD A:ARG458 3.0 44.0 1.0
OD2 A:ASP530 3.0 41.3 1.0
O A:THR617 3.5 57.6 1.0
CG A:ASP530 3.6 48.5 1.0
CZ A:ARG458 3.8 45.9 1.0
NE A:ARG458 3.8 43.5 1.0
CG2 A:VAL571 3.9 51.9 1.0
CA A:ASP530 4.0 45.5 1.0
C A:GLY529 4.0 59.0 1.0
C A:ASN618 4.1 50.6 1.0
CG A:ARG458 4.2 47.8 1.0
CB A:ASP530 4.2 44.2 1.0
OD1 A:ASP530 4.2 54.6 1.0
O A:ASN618 4.3 53.5 1.0
N A:GLY619 4.3 52.0 1.0
CA A:ASN618 4.3 48.2 1.0
CE1 A:PHE460 4.4 54.0 1.0
N A:ASP530 4.4 57.2 1.0
CZ A:PHE460 4.5 48.9 1.0
C A:THR617 4.5 49.7 1.0
CA A:GLY619 4.7 53.8 1.0
N A:ASN618 4.8 50.1 1.0
CB A:ARG458 4.9 41.4 1.0

Magnesium binding site 3 out of 9 in 5yjh

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Magnesium binding site 3 out of 9 in the Structural Insights Into Periostin Functions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structural Insights Into Periostin Functions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg722

b:51.7
occ:1.00
O A:PRO137 2.5 51.5 1.0
CB A:ALA110 3.1 36.4 1.0
OG1 A:THR113 3.1 48.2 1.0
N A:THR113 3.1 51.9 1.0
OD1 A:ASN139 3.2 50.8 1.0
C A:SER138 3.2 54.0 1.0
N A:ASN139 3.4 56.2 1.0
O A:SER138 3.5 50.9 1.0
CA A:ALA110 3.5 44.0 1.0
CD1 A:TRP142 3.6 49.5 1.0
C A:PRO137 3.6 48.8 1.0
CA A:SER138 3.6 50.3 1.0
N A:THR112 3.6 49.1 1.0
CB A:THR113 3.7 49.7 1.0
CB A:THR112 3.7 52.0 1.0
NE1 A:TRP142 3.9 47.5 1.0
CA A:ASN139 3.9 53.6 1.0
C A:ALA110 3.9 51.1 1.0
CA A:THR112 4.0 53.9 1.0
C A:THR112 4.0 53.2 1.0
CA A:THR113 4.0 48.0 1.0
CG A:ASN139 4.0 56.5 1.0
N A:SER138 4.1 46.8 1.0
N A:THR111 4.1 51.2 1.0
OG1 A:THR112 4.4 53.0 1.0
O A:ALA110 4.5 58.8 1.0
C A:THR111 4.6 52.9 1.0
CB A:ASN139 4.6 57.3 1.0
CG A:TRP142 4.8 52.9 1.0
CG2 A:THR112 4.8 49.6 1.0
CA A:PRO137 4.9 45.9 1.0
N A:ALA110 4.9 38.1 1.0
ND2 A:ASN139 5.0 59.8 1.0
CB A:SER138 5.0 55.3 1.0

Magnesium binding site 4 out of 9 in 5yjh

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Magnesium binding site 4 out of 9 in the Structural Insights Into Periostin Functions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structural Insights Into Periostin Functions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg723

b:83.5
occ:1.00
O A:PRO274 2.3 70.2 1.0
CB A:PHE250 2.7 76.3 1.0
N A:PHE250 2.8 76.0 1.0
CE2 A:PHE279 2.9 74.8 1.0
CA A:PHE250 3.3 73.3 1.0
CD2 A:PHE279 3.3 75.5 1.0
C A:PRO274 3.4 65.1 1.0
O A:THR275 3.6 74.7 1.0
C A:THR275 3.6 77.9 1.0
O A:LEU247 3.7 80.1 1.0
CA A:LEU247 3.7 78.6 1.0
C A:LEU247 3.9 82.3 1.0
CB A:SER249 3.9 72.5 1.0
C A:SER249 3.9 75.3 1.0
O A:ASP246 3.9 83.2 1.0
CA A:THR275 3.9 75.8 1.0
CG A:PHE250 4.0 75.8 1.0
N A:ASN276 4.1 77.4 1.0
N A:THR275 4.1 69.9 1.0
CZ A:PHE279 4.1 70.3 1.0
OD1 A:ASN276 4.1 70.1 1.0
N A:SER249 4.2 73.9 1.0
CA A:SER249 4.2 73.6 1.0
CD2 A:LEU247 4.3 65.7 1.0
CG A:PRO274 4.5 62.5 1.0
CA A:PRO274 4.5 61.9 1.0
CB A:LEU247 4.6 81.6 1.0
C A:PHE250 4.6 73.8 1.0
CA A:ASN276 4.6 76.3 1.0
CD1 A:PHE250 4.7 77.3 1.0
CB A:PRO274 4.7 63.6 1.0
CG A:PHE279 4.7 70.7 1.0
N A:LEU247 4.7 78.2 1.0
C A:ASP246 4.7 80.3 1.0
N A:SER248 4.7 90.9 1.0
OG A:SER249 4.8 78.4 1.0
N A:ARG251 4.9 73.8 1.0
N A:PRO274 4.9 67.4 1.0
O A:SER249 5.0 77.7 1.0

Magnesium binding site 5 out of 9 in 5yjh

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Magnesium binding site 5 out of 9 in the Structural Insights Into Periostin Functions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structural Insights Into Periostin Functions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg724

b:70.2
occ:1.00
O A:PRO408 2.6 55.0 1.0
OD1 A:ASN410 2.7 49.2 1.0
O A:GLN380 2.8 57.8 1.0
CA A:GLN381 3.0 52.6 1.0
C A:GLN381 3.1 54.9 1.0
O A:GLN381 3.2 53.3 1.0
N A:PHE384 3.2 47.3 1.0
N A:ASN410 3.3 47.6 1.0
C A:VAL409 3.5 51.4 1.0
CB A:PHE384 3.6 46.5 1.0
C A:GLN380 3.6 56.5 1.0
CG A:ASN410 3.7 49.7 1.0
CA A:ASN410 3.8 46.3 1.0
N A:GLN381 3.8 55.2 1.0
C A:PRO408 3.8 47.0 1.0
N A:THR383 3.8 47.6 1.0
N A:THR382 3.9 55.5 1.0
CB A:THR383 3.9 47.9 1.0
CA A:VAL409 3.9 49.3 1.0
CE2 A:PHE413 3.9 54.7 1.0
O A:VAL409 4.0 50.5 1.0
CA A:PHE384 4.0 41.5 1.0
CA A:THR383 4.2 46.5 1.0
C A:THR383 4.2 49.3 1.0
CB A:GLN381 4.2 53.2 1.0
CB A:ASN410 4.3 45.3 1.0
N A:VAL409 4.3 48.6 1.0
CD2 A:PHE413 4.4 54.7 1.0
C A:THR382 4.5 53.2 1.0
OG1 A:THR383 4.6 49.8 1.0
ND2 A:ASN410 4.7 49.3 1.0
CG A:GLN381 4.8 53.7 1.0
CA A:THR382 4.8 54.5 1.0
CG A:PHE384 4.9 45.9 1.0
CG2 A:THR383 4.9 40.9 1.0

Magnesium binding site 6 out of 9 in 5yjh

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Magnesium binding site 6 out of 9 in the Structural Insights Into Periostin Functions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structural Insights Into Periostin Functions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg725

b:0.8
occ:1.00
N A:PHE512 2.3 94.2 1.0
OD1 A:ASN538 2.7 91.1 1.0
CB A:PHE512 2.8 84.4 1.0
CE2 A:PHE541 3.0 0.3 1.0
CA A:PHE512 3.0 81.0 1.0
O A:PHE509 3.2 84.3 1.0
O A:PRO536 3.3 85.6 1.0
CD2 A:PHE541 3.4 0.4 1.0
C A:THR511 3.4 89.7 1.0
CB A:THR511 3.5 93.4 1.0
C A:PHE509 3.5 86.1 1.0
N A:THR511 3.6 87.7 1.0
CA A:THR511 3.6 89.4 1.0
CG A:ASN538 3.8 93.7 1.0
N A:ASN538 3.9 97.3 1.0
CA A:PHE509 3.9 85.8 1.0
CZ A:PHE541 3.9 95.8 1.0
O A:ARG508 3.9 92.0 1.0
C A:THR537 4.1 98.7 1.0
CG A:PHE512 4.1 91.5 1.0
CA A:ASN538 4.2 96.8 1.0
N A:SER510 4.2 96.6 1.0
C A:SER510 4.2 91.3 1.0
O A:THR537 4.3 98.3 1.0
CG2 A:THR511 4.3 88.0 1.0
C A:PHE512 4.3 81.2 1.0
C A:PRO536 4.5 89.9 1.0
O A:THR511 4.5 84.4 1.0
OG1 A:THR511 4.5 0.8 1.0
CG A:PHE541 4.5 0.7 1.0
N A:LEU513 4.6 80.3 1.0
CB A:ASN538 4.6 97.7 1.0
CA A:THR537 4.7 87.2 1.0
C A:ARG508 4.8 88.3 1.0
ND2 A:ASN538 4.8 88.6 1.0
N A:PHE509 4.8 84.7 1.0
O A:SER510 4.8 87.7 1.0
CD1 A:PHE512 4.8 91.8 1.0
CA A:SER510 4.9 96.4 1.0
CE1 A:PHE541 5.0 94.8 1.0
CB A:PHE509 5.0 89.3 1.0

Magnesium binding site 7 out of 9 in 5yjh

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Magnesium binding site 7 out of 9 in the Structural Insights Into Periostin Functions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structural Insights Into Periostin Functions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg726

b:57.9
occ:1.00
O A:CYS208 2.4 41.5 1.0
OD2 A:ASP350 2.7 52.7 1.0
CG A:GLU313 3.1 48.2 1.0
N A:GLU313 3.2 50.5 1.0
CB A:GLU313 3.2 43.5 1.0
NH2 A:ARG228 3.2 58.7 1.0
CG A:ASP350 3.3 52.8 1.0
CB A:CYS311 3.5 46.7 1.0
C A:CYS208 3.5 47.6 1.0
OD1 A:ASP350 3.5 52.7 1.0
OG A:SER312 3.5 47.2 1.0
CZ A:ARG228 3.7 56.0 1.0
CB A:CYS208 3.7 44.3 1.0
N A:SER312 3.7 47.2 1.0
NH1 A:ARG228 3.8 53.6 1.0
CA A:GLU313 3.8 46.8 1.0
CA A:CYS208 4.0 46.9 1.0
C A:SER312 4.2 46.3 1.0
C A:CYS311 4.2 51.5 1.0
CA A:SER312 4.3 40.1 1.0
CA A:CYS311 4.3 47.9 1.0
CB A:SER312 4.4 46.1 1.0
CB A:ASP350 4.5 51.2 1.0
CD A:GLU313 4.5 54.4 1.0
SG A:CYS311 4.5 53.4 1.0
N A:ALA209 4.6 50.0 1.0
SG A:CYS208 4.6 50.4 1.0
NE A:ARG228 4.7 46.2 1.0
CG2 A:THR205 4.8 41.2 1.0
C A:GLU313 4.8 44.0 1.0
N A:ARG210 4.9 47.7 1.0
OE2 A:GLU313 4.9 57.8 1.0
CA A:ALA209 5.0 48.1 1.0

Magnesium binding site 8 out of 9 in 5yjh

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Magnesium binding site 8 out of 9 in the Structural Insights Into Periostin Functions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Structural Insights Into Periostin Functions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg727

b:84.4
occ:1.00
OD2 A:ASP613 2.8 62.8 1.0
OG A:SER612 2.8 72.9 1.0
OE1 A:GLU597 2.9 66.4 1.0
CB A:SER612 3.2 69.3 1.0
OE2 A:GLU597 3.2 75.3 1.0
CG A:ASP613 3.3 58.7 1.0
CB A:LEU602 3.4 65.9 1.0
CD A:GLU597 3.5 71.6 1.0
OD1 A:ASP613 3.5 62.4 1.0
CA A:GLY574 3.6 57.3 1.0
N A:LEU602 3.9 75.4 1.0
N A:GLY574 4.0 57.3 1.0
CA A:LEU602 4.2 67.9 1.0
C A:GLY574 4.4 58.8 1.0
CD2 A:LEU602 4.4 60.1 1.0
CA A:SER612 4.4 72.8 1.0
CG A:LEU602 4.4 60.2 1.0
C A:SER612 4.4 69.7 1.0
N A:ASP613 4.5 64.7 1.0
CB A:ASP613 4.5 60.7 1.0
O A:ASP600 4.6 78.3 1.0
C A:THR601 4.7 73.6 1.0
N A:LYS575 4.7 58.3 1.0
O A:SER612 4.9 65.8 1.0
CD1 A:LEU602 4.9 69.4 1.0
CG A:GLU597 5.0 67.5 1.0

Magnesium binding site 9 out of 9 in 5yjh

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Magnesium binding site 9 out of 9 in the Structural Insights Into Periostin Functions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Structural Insights Into Periostin Functions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg728

b:58.0
occ:1.00
OG1 A:THR205 2.6 43.9 1.0
OD1 A:ASN197 2.6 56.1 1.0
N A:CYS208 2.8 53.0 1.0
O A:PHE195 3.2 53.1 1.0
O A:THR205 3.4 46.0 1.0
CA A:CYS208 3.4 46.9 1.0
CG A:ASN197 3.4 46.5 1.0
CB A:THR205 3.5 40.6 1.0
N A:ASN207 3.5 47.1 1.0
CB A:ASN197 3.5 42.5 1.0
C A:THR205 3.5 47.7 1.0
SG A:CYS311 3.6 53.4 1.0
N A:ASN197 3.8 47.1 1.0
C A:ASN207 3.8 49.2 1.0
N A:VAL206 3.9 50.0 1.0
CA A:ASN207 3.9 48.9 1.0
C A:VAL206 4.0 50.8 1.0
CA A:THR205 4.1 44.9 1.0
CA A:VAL206 4.2 48.3 1.0
SG A:CYS208 4.2 50.4 1.0
C A:PHE195 4.2 52.0 1.0
C A:ILE196 4.2 53.8 1.0
CA A:ASN197 4.3 48.7 1.0
CB A:CYS208 4.4 44.3 1.0
C A:CYS208 4.5 47.6 1.0
CA A:ILE196 4.6 50.5 1.0
ND2 A:ASN197 4.7 45.8 1.0
CG2 A:THR205 4.8 41.2 1.0
N A:ILE196 4.8 51.0 1.0
O A:VAL206 4.8 51.6 1.0
O A:ILE196 4.9 60.1 1.0
N A:ALA209 4.9 50.0 1.0
N A:THR205 4.9 44.8 1.0
O A:ASN207 5.0 43.3 1.0

Reference:

J.Liu, J.Zhang, F.Xu, Z.Lin, Z.Li, H.Liu. Structural Characterizations of Human Periostin Dimerization and Cysteinylation. Febs Lett. V. 592 1789 2018.
ISSN: ISSN 1873-3468
PubMed: 29754429
DOI: 10.1002/1873-3468.13091
Page generated: Mon Sep 30 11:13:57 2024

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