Atomistry » Magnesium » PDB 4mpo-4naa » 4n0g
Atomistry »
  Magnesium »
    PDB 4mpo-4naa »
      4n0g »

Magnesium in PDB 4n0g: Crystal Structure of PYL13-PP2CA Complex

Enzymatic activity of Crystal Structure of PYL13-PP2CA Complex

All present enzymatic activity of Crystal Structure of PYL13-PP2CA Complex:
3.1.3.16;

Protein crystallography data

The structure of Crystal Structure of PYL13-PP2CA Complex, PDB code: 4n0g was solved by W.Li, L.Wang, X.Sheng, C.Yan, R.Zhou, J.Hang, P.Yin, N.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.79 / 2.38
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 111.383, 111.383, 70.410, 90.00, 90.00, 120.00
R / Rfree (%) 21.1 / 24.5

Other elements in 4n0g:

The structure of Crystal Structure of PYL13-PP2CA Complex also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of PYL13-PP2CA Complex (pdb code 4n0g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the Crystal Structure of PYL13-PP2CA Complex, PDB code: 4n0g:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 1 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:45.7
occ:1.00
 O A:HOH530 2.4 57.9 1.0
OE1 A:GLU175 2.6 33.2 1.0
OE2 A:GLU175 3.2 33.4 1.0
CD A:GLU175 3.3 32.8 1.0
OE1 A:GLU172 3.5 44.6 1.0
CD A:GLU172 4.7 44.1 1.0
CG A:GLU175 4.7 32.8 1.0

Magnesium binding site 2 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 2 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:24.3
occ:1.00
 OD2 A:ASP142 2.0 31.6 1.0
O A:HOH590 2.2 38.5 1.0
O A:HOH503 2.3 35.1 1.0
OD1 A:ASP327 2.3 33.3 1.0
O A:HOH502 2.4 29.4 1.0
OD2 A:ASP380 2.5 35.0 1.0
CG A:ASP142 2.9 30.5 1.0
OD1 A:ASP142 3.1 31.1 1.0
CG A:ASP380 3.4 34.8 1.0
CG A:ASP327 3.5 33.8 1.0
OD1 A:ASP380 3.5 34.1 1.0
MG A:MG404 3.5 30.3 1.0
O A:HOH524 3.8 47.4 1.0
O A:HOH501 3.9 33.0 1.0
OD2 A:ASP327 3.9 34.5 1.0
N A:GLY328 4.3 33.1 1.0
CB A:ASP142 4.3 30.7 1.0
O A:HOH544 4.5 44.4 1.0
O A:HOH512 4.6 34.7 1.0
CB A:ASP327 4.8 33.4 1.0
CB A:ASP380 4.8 35.2 1.0
N A:ASP327 4.8 33.1 1.0
OD1 A:ASP119 4.8 33.5 1.0
C A:ASP327 4.9 33.6 1.0
O A:ASN381 4.9 35.8 1.0

Magnesium binding site 3 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 3 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:30.3
occ:1.00
 O A:HOH503 2.0 35.1 1.0
OD1 A:ASP142 2.1 31.1 1.0
O A:HOH524 2.1 47.4 1.0
O A:GLY143 2.1 27.0 1.0
O A:HOH501 2.2 33.0 1.0
O A:HOH589 2.5 30.3 1.0
CG A:ASP142 3.2 30.5 1.0
C A:GLY143 3.4 26.6 1.0
MG A:MG403 3.5 24.3 1.0
OD2 A:ASP142 3.6 31.6 1.0
O A:HOH518 3.8 38.9 1.0
N A:GLY143 4.0 26.0 1.0
C A:ASP142 4.2 29.5 1.0
OE1 A:GLU118 4.3 33.0 1.0
O A:HOH590 4.3 38.5 1.0
CA A:GLY143 4.3 25.8 1.0
N A:HIS144 4.3 27.1 1.0
O A:HOH502 4.4 29.4 1.0
CA A:HIS144 4.4 28.0 1.0
CB A:HIS144 4.4 28.2 1.0
O A:ASP142 4.4 30.2 1.0
O A:HOH510 4.5 45.9 1.0
CB A:ASP142 4.5 30.7 1.0
CB A:GLU118 4.6 31.8 1.0
OD1 A:ASP380 4.6 34.1 1.0
CA A:ASP142 4.7 30.1 1.0
NH2 A:ARG114 4.8 41.2 1.0
OD1 A:ASP119 4.8 33.5 1.0
OD1 A:ASN381 4.9 34.8 1.0

Magnesium binding site 4 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 4 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg405

b:50.1
occ:1.00
 O A:HOH569 2.0 62.6 1.0
O A:HOH561 2.1 43.9 1.0
OD2 A:ASP331 2.2 42.2 1.0
OD1 A:ASP331 2.5 42.1 1.0
OD2 A:ASP327 2.6 34.5 1.0
CG A:ASP331 2.7 42.2 1.0
CG A:ASP327 3.6 33.8 1.0
NZ A:LYS260 3.8 36.8 1.0
CB A:ASP327 3.9 33.4 1.0
CB A:ASP331 4.2 41.3 1.0
O A:HOH532 4.4 47.5 1.0
OD2 A:ASP241 4.5 30.7 1.0
O A:HOH544 4.5 44.4 1.0
OD1 A:ASP327 4.6 33.3 1.0
O A:HOH590 4.8 38.5 1.0

Magnesium binding site 5 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 5 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:26.6
occ:1.00
 OD2 B:ASP142 2.1 28.4 1.0
O B:HOH502 2.1 35.9 1.0
OD2 B:ASP380 2.4 35.7 1.0
OD1 B:ASP327 2.4 31.2 1.0
O B:HOH503 2.5 32.1 1.0
CG B:ASP142 3.0 27.4 1.0
OD1 B:ASP142 3.2 28.7 1.0
CG B:ASP380 3.3 35.3 1.0
CG B:ASP327 3.4 31.4 1.0
MG B:MG403 3.5 30.7 1.0
OD1 B:ASP380 3.5 35.3 1.0
OD2 B:ASP327 3.8 31.9 1.0
O B:HOH501 4.0 35.9 1.0
O B:HOH595 4.1 49.7 1.0
N B:GLY328 4.3 36.0 1.0
O B:HOH526 4.3 41.9 1.0
CB B:ASP142 4.4 28.3 1.0
O B:HOH507 4.5 31.9 1.0
CB B:ASP380 4.7 35.8 1.0
CB B:ASP327 4.8 31.0 1.0
C B:ASP327 4.8 31.4 1.0
N B:ASP327 4.9 31.1 1.0
O B:ASN381 5.0 36.8 1.0
CA B:GLY328 5.0 36.2 1.0

Magnesium binding site 6 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 6 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:30.7
occ:1.00
 O B:HOH503 2.0 32.1 1.0
O B:HOH595 2.1 49.7 1.0
OD1 B:ASP142 2.1 28.7 1.0
O B:HOH501 2.2 35.9 1.0
O B:GLY143 2.3 27.4 1.0
O B:HOH596 2.6 32.7 1.0
CG B:ASP142 3.2 27.4 1.0
MG B:MG402 3.5 26.6 1.0
C B:GLY143 3.5 26.9 1.0
OD2 B:ASP142 3.6 28.4 1.0
O B:HOH519 3.9 44.3 1.0
O B:HOH502 4.1 35.9 1.0
N B:GLY143 4.2 27.1 1.0
OE1 B:GLU118 4.2 34.1 1.0
C B:ASP142 4.3 28.1 1.0
O D:HOH347 4.4 38.0 1.0
OD1 B:ASP380 4.4 35.3 1.0
N B:HIS144 4.4 29.6 1.0
CA B:GLY143 4.4 27.1 1.0
CA B:HIS144 4.5 30.1 1.0
NH2 B:ARG114 4.5 40.7 1.0
CB B:ASP142 4.5 28.3 1.0
O B:ASP142 4.6 28.2 1.0
CB B:HIS144 4.6 29.3 1.0
CB B:GLU118 4.7 33.4 1.0
OD1 B:ASN381 4.7 37.2 1.0
CA B:ASP142 4.8 28.2 1.0
OD2 B:ASP380 5.0 35.7 1.0
OD1 B:ASP119 5.0 33.4 1.0

Magnesium binding site 7 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 7 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg404

b:50.1
occ:1.00
 OE1 B:GLU175 2.7 33.6 1.0
OE2 B:GLU175 3.3 33.0 1.0
CD B:GLU175 3.4 33.1 1.0
O B:HOH534 3.8 54.0 1.0
OE1 B:GLU172 3.9 43.4 1.0
NZ B:LYS179 4.6 39.1 1.0
CG B:GLU175 4.8 33.0 1.0

Magnesium binding site 8 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 8 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg405

b:53.3
occ:1.00
 O B:HOH515 2.2 47.0 1.0
O B:HOH572 2.4 46.3 1.0
OD2 B:ASP327 2.4 31.9 1.0
OD2 B:ASP331 2.5 42.7 1.0
OD1 B:ASP331 3.0 43.0 1.0
CG B:ASP331 3.1 43.0 1.0
CG B:ASP327 3.4 31.4 1.0
NZ B:LYS260 3.8 39.7 1.0
CB B:ASP327 3.8 31.0 1.0
OD2 B:ASP241 4.1 32.1 1.0
O B:HOH522 4.4 40.7 1.0
OD1 B:ASP327 4.5 31.2 1.0
CE B:LYS260 4.6 40.4 1.0
CB B:ASP331 4.6 42.3 1.0
CG B:ASP241 4.8 31.2 1.0
O B:HOH526 4.8 41.9 1.0

Magnesium binding site 9 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 9 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg201

b:60.7
occ:1.00
 O C:HOH355 1.8 72.9 1.0
O C:HOH354 1.9 60.4 1.0
O C:HOH353 1.9 69.3 1.0
OD1 C:ASP74 2.1 38.5 1.0
CG C:ASP74 3.2 39.0 1.0
CB C:ASP74 3.9 38.5 1.0
O C:LEU67 4.1 30.8 1.0
OD2 C:ASP74 4.3 39.2 1.0
O C:HOH324 4.4 57.8 1.0
CA C:ASP74 4.4 38.7 1.0
O C:ALA73 4.4 31.6 1.0
CA C:SER69 4.4 32.5 1.0
O C:VAL68 4.5 31.4 1.0
O C:HOH335 4.5 46.6 1.0
N C:SER69 4.8 31.9 1.0
C C:VAL68 4.8 30.9 1.0

Magnesium binding site 10 out of 10 in 4n0g

Go back to Magnesium Binding Sites List in 4n0g
Magnesium binding site 10 out of 10 in the Crystal Structure of PYL13-PP2CA Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of PYL13-PP2CA Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg201

b:61.5
occ:1.00
 OD1 D:ASP74 2.0 38.4 1.0
CG D:ASP74 3.3 38.6 1.0
CB D:ASP74 4.0 38.2 1.0
O D:HOH351 4.1 74.2 1.0
O D:HOH348 4.2 41.2 1.0
O D:ALA73 4.2 39.0 1.0
O D:LEU67 4.2 33.1 1.0
OD2 D:ASP74 4.3 38.5 1.0
CA D:SER69 4.3 30.4 1.0
O D:VAL68 4.3 27.2 1.0
CA D:ASP74 4.4 38.1 1.0
N D:SER69 4.7 29.9 1.0
C D:VAL68 4.7 27.1 1.0
C D:ALA73 4.9 38.5 1.0
O D:PHE71 4.9 35.5 1.0
CB D:SER69 5.0 30.2 1.0

Reference:

W.Li, L.Wang, X.Sheng, C.Yan, R.Zhou, J.Hang, P.Yin, N.Yan. Molecular Basis For the Selective and Aba-Independent Inhibition of PP2CA By PYL13 Cell Res. V. 23 1369 2013.
ISSN: ISSN 1001-0602
PubMed: 24165892
DOI: 10.1038/CR.2013.143
Page generated: Mon Aug 19 23:23:20 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