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Magnesium in PDB 3nmn: Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1

Enzymatic activity of Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1

All present enzymatic activity of Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1:
3.1.3.16;

Protein crystallography data

The structure of Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1, PDB code: 3nmn was solved by X.E.Zhou, K.Melcher, L.-M.Ng, F.-F.Soon, Y.Xu, K.M.Suino-Powell, A.Kovach, J.Li, E.-L.Yong, H.E.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.62 / 2.15
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.978, 66.710, 72.598, 115.78, 95.43, 105.60
R / Rfree (%) 21 / 24.8

Other elements in 3nmn:

The structure of Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1 also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1 (pdb code 3nmn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1, PDB code: 3nmn:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3nmn

Go back to Magnesium Binding Sites List in 3nmn
Magnesium binding site 1 out of 4 in the Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1


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 Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg998

b:52.1
occ:1.00
 OD2 B:ASP177 2.4 36.8 1.0
OD1 B:ASP347 2.5 43.5 1.0
O B:HOH55 2.7 63.5 1.0
OD1 B:ASP413 3.0 70.6 1.0
OD1 B:ASP177 3.1 39.1 1.0
CG B:ASP177 3.1 33.6 1.0
CG B:ASP413 3.3 68.0 1.0
OD2 B:ASP413 3.3 74.2 1.0
CG B:ASP347 3.4 42.4 1.0
OD2 B:ASP347 3.5 48.4 1.0
MG B:MG999 4.4 44.0 1.0
CB B:ASP413 4.4 64.5 1.0
N B:GLY348 4.5 41.7 1.0
CB B:ASP177 4.6 29.2 1.0
O B:HOH46 4.6 49.9 1.0
O B:ASN414 4.8 45.5 1.0
O B:HOH47 4.8 40.4 1.0
CB B:ASP347 4.8 40.7 1.0
OD1 B:ASP143 5.0 39.5 1.0

Magnesium binding site 2 out of 4 in 3nmn

Go back to Magnesium Binding Sites List in 3nmn
Magnesium binding site 2 out of 4 in the Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1


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 Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg999

b:44.0
occ:1.00
 OD2 B:ASP177 2.6 36.8 1.0
OD1 B:ASP261 2.7 41.8 1.0
N B:ASP347 2.9 36.9 1.0
CG B:ASP347 3.2 42.4 1.0
OG B:SER262 3.2 27.7 1.0
OD1 B:ASP347 3.3 43.5 1.0
CG B:ASP177 3.4 33.6 1.0
CB B:ASP347 3.4 40.7 1.0
CB B:ASP177 3.5 29.2 1.0
OD2 B:ASP347 3.6 48.4 1.0
O B:ASP261 3.7 32.4 1.0
N B:SER262 3.7 30.8 1.0
CA B:SER346 3.7 33.8 1.0
C B:ASP261 3.7 31.9 1.0
CA B:ASP347 3.8 39.6 1.0
CG2 B:THR243 3.8 21.4 1.0
C B:SER346 3.8 35.2 1.0
CG B:ASP261 3.8 39.4 1.0
CA B:SER262 3.8 30.4 1.0
CB B:SER346 3.9 33.9 1.0
CB B:SER262 4.1 29.4 1.0
OG1 B:THR243 4.4 25.8 1.0
MG B:MG998 4.4 52.1 1.0
CB B:ASP261 4.5 34.6 1.0
CB B:THR243 4.5 23.3 1.0
CA B:ASP261 4.6 32.7 1.0
OD1 B:ASP177 4.6 39.1 1.0
OD2 B:ASP261 4.7 49.8 1.0
N B:ASP261 4.9 31.8 1.0
C B:ASP347 4.9 40.7 1.0
N B:GLY348 5.0 41.7 1.0

Magnesium binding site 3 out of 4 in 3nmn

Go back to Magnesium Binding Sites List in 3nmn
Magnesium binding site 3 out of 4 in the Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1


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 Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg998

b:34.2
occ:1.00
 OD1 D:ASP261 2.5 33.6 1.0
OD2 D:ASP177 2.6 32.8 1.0
N D:ASP347 2.8 33.0 1.0
OG D:SER262 3.0 31.7 1.0
O D:HOH57 3.1 39.3 1.0
OD1 D:ASP347 3.3 48.9 1.0
CG D:ASP177 3.4 31.2 1.0
CA D:SER346 3.5 28.8 1.0
N D:SER262 3.5 26.9 1.0
CB D:ASP177 3.5 28.2 1.0
CG D:ASP347 3.5 43.4 1.0
CB D:ASP347 3.5 37.1 1.0
C D:SER346 3.6 29.9 1.0
CA D:SER262 3.6 28.4 1.0
CG D:ASP261 3.6 34.7 1.0
C D:ASP261 3.7 27.3 1.0
CB D:SER346 3.7 29.8 1.0
CA D:ASP347 3.8 36.7 1.0
O D:ASP261 3.8 27.3 1.0
MG D:MG999 3.9 64.8 1.0
CB D:SER262 3.9 29.7 1.0
CG2 D:THR243 4.0 28.2 1.0
OG1 D:THR243 4.2 30.6 1.0
OD2 D:ASP347 4.3 51.5 1.0
OD2 D:ASP261 4.5 41.4 1.0
CB D:ASP261 4.5 29.5 1.0
CA D:ASP261 4.5 28.2 1.0
CB D:THR243 4.6 27.3 1.0
OD1 D:ASP177 4.6 36.0 1.0
O D:SER346 4.8 27.3 1.0
N D:ASP261 4.8 27.4 1.0
N D:SER346 4.8 27.6 1.0
C D:ASP347 4.9 38.1 1.0
O D:HOH22 5.0 34.7 1.0

Magnesium binding site 4 out of 4 in 3nmn

Go back to Magnesium Binding Sites List in 3nmn
Magnesium binding site 4 out of 4 in the Crystal Structure of Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1


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 Pyrabactin-Bound Abscisic Acid Receptor PYL1 in Complex with Type 2C Protein Phosphatase ABI1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg999

b:64.8
occ:1.00
 OD2 D:ASP347 2.4 51.5 1.0
OD2 D:ASP177 2.6 32.8 1.0
N D:GLY348 2.7 38.8 1.0
CG D:ASP347 3.0 43.4 1.0
N D:ASP347 3.2 33.0 1.0
CB D:SER346 3.3 29.8 1.0
CA D:GLY348 3.4 39.0 1.0
O D:ASN414 3.4 43.1 1.0
C D:ASP347 3.5 38.1 1.0
OD1 D:ASP347 3.5 48.9 1.0
OG D:SER346 3.6 34.2 1.0
CG D:ASP177 3.6 31.2 1.0
C D:SER346 3.7 29.9 1.0
CA D:ASP347 3.7 36.7 1.0
CB D:ASP413 3.9 55.7 1.0
MG D:MG998 3.9 34.2 1.0
CB D:ASP347 3.9 37.1 1.0
CA D:SER346 4.1 28.8 1.0
OD1 D:ASP177 4.1 36.0 1.0
O D:SER346 4.4 27.3 1.0
O D:ASP347 4.5 39.1 1.0
O D:HOH57 4.5 39.3 1.0
C D:ASN414 4.6 43.2 1.0
OD2 D:ASP143 4.6 40.3 1.0
N D:ASN414 4.7 48.9 1.0
CG D:ASP413 4.7 60.1 1.0
C D:GLY348 4.8 38.3 1.0
CB D:ASP177 4.8 28.2 1.0
C D:ASP413 4.9 52.3 1.0

Reference:

K.Melcher, Y.Xu, L.M.Ng, X.E.Zhou, F.F.Soon, V.Chinnusamy, K.M.Suino-Powell, A.Kovach, F.S.Tham, S.R.Cutler, J.Li, E.L.Yong, J.K.Zhu, H.E.Xu. Identification and Mechanism of Aba Receptor Antagonism. Nat.Struct.Mol.Biol. V. 17 1102 2010.
ISSN: ISSN 1545-9993
PubMed: 20729862
DOI: 10.1038/NSMB.1887
Page generated: Thu Aug 15 08:04:08 2024

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