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Bromine in PDB 3nr4: Pyrabactin-Bound PYL2

Protein crystallography data

The structure of Pyrabactin-Bound PYL2, PDB code: 3nr4 was solved by N.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.00 / 2.01
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 62.950, 106.120, 187.990, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23.7

Bromine Binding Sites:

The binding sites of Bromine atom in the Pyrabactin-Bound PYL2 (pdb code 3nr4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Pyrabactin-Bound PYL2, PDB code: 3nr4:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 3nr4

Go back to Bromine Binding Sites List in 3nr4
Bromine binding site 1 out of 3 in the Pyrabactin-Bound PYL2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Pyrabactin-Bound PYL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br191

b:77.3
occ:0.70
BR A:PYV191 0.0 77.3 0.7
C1 A:PYV191 1.9 40.6 0.7
C6 A:PYV191 2.9 37.2 0.7
C2 A:PYV191 2.9 46.1 0.7
C10 A:PYV191 3.2 49.0 0.7
CE2 A:PHE165 3.4 32.4 1.0
CG2 A:VAL169 3.6 25.6 1.0
CB A:VAL169 3.8 22.1 1.0
CG1 A:VAL169 4.0 27.7 1.0
CD2 A:PHE165 4.0 29.2 1.0
CZ A:PHE165 4.0 34.0 1.0
CG2 A:VAL166 4.1 19.0 1.0
C5 A:PYV191 4.2 38.6 0.7
CA A:VAL166 4.3 24.4 1.0
C3 A:PYV191 4.3 45.7 0.7
CG1 A:VAL166 4.5 23.2 1.0
CD1 A:LEU121 4.5 35.1 1.0
CB A:VAL166 4.5 24.2 1.0
C9 A:PYV191 4.6 50.4 0.7
C15 A:PYV191 4.7 48.5 0.7
C4 A:PYV191 4.8 41.2 0.7
N A:VAL166 4.9 20.4 1.0
C14 A:PYV191 5.0 51.1 0.7
O A:PHE165 5.0 20.7 1.0
CG A:PHE165 5.0 28.7 1.0
CE1 A:PHE165 5.0 30.8 1.0

Bromine binding site 2 out of 3 in 3nr4

Go back to Bromine Binding Sites List in 3nr4
Bromine binding site 2 out of 3 in the Pyrabactin-Bound PYL2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Pyrabactin-Bound PYL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br191

b:55.8
occ:0.69
BR B:PYV191 0.0 55.8 0.7
C1 B:PYV191 1.9 37.9 0.7
C6 B:PYV191 2.9 33.6 0.7
C2 B:PYV191 2.9 38.5 0.7
C10 B:PYV191 3.2 33.3 0.7
CE2 B:PHE165 3.4 37.2 1.0
CG2 B:VAL169 3.6 25.3 1.0
CB B:VAL169 3.8 22.9 1.0
CZ B:PHE165 3.9 30.0 1.0
CD2 B:PHE165 3.9 36.6 1.0
CG1 B:VAL169 4.0 27.8 1.0
C5 B:PYV191 4.2 37.5 0.7
CG2 B:VAL166 4.2 25.7 1.0
CD2 B:LEU121 4.2 36.7 1.0
CA B:VAL166 4.2 22.6 1.0
C3 B:PYV191 4.3 40.3 0.7
C15 B:PYV191 4.4 45.4 0.7
CG1 B:VAL166 4.5 17.4 1.0
CB B:VAL166 4.6 21.1 1.0
C9 B:PYV191 4.6 33.4 0.7
C4 B:PYV191 4.8 39.0 0.7
CE1 B:PHE165 4.8 29.6 1.0
CG B:PHE165 4.8 35.2 1.0
O B:PHE165 4.8 20.7 1.0
N B:VAL166 4.9 23.1 1.0
C14 B:PYV191 4.9 48.1 0.7

Bromine binding site 3 out of 3 in 3nr4

Go back to Bromine Binding Sites List in 3nr4
Bromine binding site 3 out of 3 in the Pyrabactin-Bound PYL2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Pyrabactin-Bound PYL2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br191

b:62.8
occ:0.70
BR C:PYV191 0.0 62.8 0.7
C1 C:PYV191 1.9 40.1 0.7
C6 C:PYV191 2.9 37.0 0.7
C2 C:PYV191 2.9 45.0 0.7
C10 C:PYV191 3.2 47.3 0.7
CE2 C:PHE165 3.4 31.9 1.0
CG2 C:VAL169 3.7 33.2 1.0
CB C:VAL169 3.8 33.5 1.0
CD2 C:PHE165 3.9 31.5 1.0
CZ C:PHE165 4.0 33.6 1.0
CG1 C:VAL169 4.0 35.4 1.0
CG2 C:VAL166 4.2 23.6 1.0
C5 C:PYV191 4.2 37.5 0.7
CD2 C:LEU121 4.2 47.4 1.0
CA C:VAL166 4.2 25.6 1.0
C3 C:PYV191 4.3 46.8 0.7
C15 C:PYV191 4.5 40.0 0.7
CG1 C:VAL166 4.5 26.4 1.0
C9 C:PYV191 4.6 49.4 0.7
CB C:VAL166 4.6 23.3 1.0
C4 C:PYV191 4.8 44.4 0.7
O C:PHE165 4.8 29.0 1.0
C14 C:PYV191 4.9 40.6 0.7
N C:VAL166 4.9 28.3 1.0
CG C:PHE165 4.9 32.9 1.0
CE1 C:PHE165 4.9 36.9 1.0

Reference:

X.Yuan, P.Yin, Q.Hao, C.Yan, J.Wang, N.Yan. Single Amino Acid Alteration Between Valine and Isoleucine Determines the Distinct Pyrabactin Selectivity By PYL1 and PYL2 J.Biol.Chem. V. 285 28953 2010.
ISSN: ISSN 0021-9258
PubMed: 20630864
DOI: 10.1074/JBC.M110.160192
Page generated: Mon Jul 7 05:43:15 2025

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