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Magnesium in PDB 7ejw: Crystal Structure of Flen in Complex with Fleq Aaa+ Doamain

Protein crystallography data

The structure of Crystal Structure of Flen in Complex with Fleq Aaa+ Doamain, PDB code: 7ejw was solved by Chanchal, P.Banerjee, S.Raghav, D.Jain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.32 / 1.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.218, 153.926, 64.568, 90, 95.03, 90
R / Rfree (%) 17.9 / 21.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Flen in Complex with Fleq Aaa+ Doamain (pdb code 7ejw). 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 Flen in Complex with Fleq Aaa+ Doamain, PDB code: 7ejw:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7ejw

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Magnesium binding site 1 out of 4 in the Crystal Structure of Flen in Complex with Fleq Aaa+ Doamain


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 Flen in Complex with Fleq Aaa+ Doamain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:3.7
occ:1.00
O2G A:AGS501 1.7 29.5 1.0
O1B A:AGS501 2.2 14.3 1.0
OG1 A:THR25 2.2 14.7 1.0
O A:HOH696 2.3 17.8 1.0
O A:HOH676 2.4 17.5 1.0
O A:HOH620 2.5 20.0 1.0
O A:HOH606 2.7 36.1 1.0
PG A:AGS501 3.1 33.6 1.0
CB A:THR25 3.4 18.4 1.0
PB A:AGS501 3.5 13.8 1.0
O3B A:AGS501 3.7 17.1 1.0
O3G A:AGS501 3.8 28.2 1.0
N A:THR25 4.0 15.4 1.0
OD2 A:ASP127 4.2 18.8 1.0
O A:HOH635 4.2 24.9 1.0
CA A:THR25 4.2 13.3 1.0
O A:HOH618 4.3 19.2 1.0
OD1 A:ASN53 4.3 18.9 1.0
O2A A:AGS501 4.4 15.1 1.0
S1G A:AGS501 4.4 36.9 1.0
OD2 A:ASP48 4.4 19.9 1.0
OD1 A:ASP127 4.4 20.4 1.0
CG2 A:THR25 4.5 14.8 1.0
O2B A:AGS501 4.6 13.5 1.0
O3A A:AGS501 4.6 16.3 1.0
CB A:ASN53 4.6 14.8 1.0
O A:THR128 4.7 17.1 1.0
CB A:LYS24 4.7 12.9 1.0
NZ B:LYS19 4.7 17.4 1.0
CE A:LYS24 4.7 19.4 1.0
O B:HOH423 4.7 25.9 1.0
CG A:ASP127 4.7 23.1 1.0
PA A:AGS501 4.8 16.6 1.0
CG A:ASN53 4.9 19.8 1.0
O1A A:AGS501 4.9 16.6 1.0
C A:LYS24 5.0 15.5 1.0
NZ A:LYS24 5.0 17.4 1.0

Magnesium binding site 2 out of 4 in 7ejw

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Magnesium binding site 2 out of 4 in the Crystal Structure of Flen in Complex with Fleq Aaa+ Doamain


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 Flen in Complex with Fleq Aaa+ Doamain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:11.9
occ:1.00
OE2 A:GLU268 2.3 18.3 1.0
O A:SER115 2.3 17.7 1.0
O A:HOH603 2.5 14.7 1.0
O A:VAL280 2.5 25.8 1.0
O A:HOH683 2.6 19.6 1.0
C A:VAL280 2.8 20.9 1.0
CD A:GLU268 3.3 22.6 1.0
C A:SER115 3.3 15.7 1.0
CG A:GLU268 3.7 16.5 1.0
CA A:SER115 4.0 18.9 1.0
OG A:SER118 4.1 29.9 1.0
CB A:SER115 4.1 16.6 1.0
OE1 A:GLU268 4.4 18.4 1.0
O A:ILE117 4.4 40.6 1.0
CA A:VAL280 4.4 25.6 1.0
N A:ASP116 4.4 22.9 1.0
O A:GLY277 4.5 21.1 1.0
N A:ILE117 4.5 44.5 1.0
CA A:ASP116 4.6 23.6 1.0
CG1 A:VAL280 4.7 26.4 1.0
O A:HOH775 4.7 26.6 1.0
C A:ILE117 4.8 42.2 1.0
C A:ASP116 4.8 28.4 1.0
O A:HOH681 4.9 22.7 1.0
OG A:SER115 4.9 20.0 1.0

Magnesium binding site 3 out of 4 in 7ejw

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Magnesium binding site 3 out of 4 in the Crystal Structure of Flen in Complex with Fleq Aaa+ Doamain


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 Flen in Complex with Fleq Aaa+ Doamain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:3.0
occ:1.00
S1G B:AGS302 1.9 50.3 1.0
O B:HOH447 2.2 17.4 1.0
OG1 B:THR25 2.2 10.9 1.0
O B:HOH441 2.3 15.9 1.0
O1B B:AGS302 2.4 15.7 1.0
O B:HOH437 2.5 18.0 1.0
O B:HOH458 2.8 49.7 1.0
CB B:THR25 3.4 16.0 1.0
PG B:AGS302 3.4 28.7 1.0
PB B:AGS302 3.6 13.7 1.0
O3B B:AGS302 3.8 15.0 1.0
N B:THR25 3.9 13.1 1.0
O B:HOH418 4.1 20.2 1.0
OD1 B:ASN53 4.2 18.6 1.0
O2G B:AGS302 4.2 27.0 1.0
CA B:THR25 4.2 12.0 1.0
OD2 B:ASP48 4.3 22.7 1.0
OD2 B:ASP127 4.3 21.4 1.0
O2A B:AGS302 4.4 14.5 1.0
O B:HOH433 4.4 24.7 1.0
O3G B:AGS302 4.5 21.8 1.0
CG2 B:THR25 4.5 13.7 1.0
O A:HOH627 4.5 23.6 1.0
CB B:ASN53 4.5 15.4 1.0
OD1 B:ASP127 4.5 18.4 1.0
O3A B:AGS302 4.6 15.3 1.0
O2B B:AGS302 4.7 12.9 1.0
O B:THR128 4.7 19.1 1.0
CG B:ASN53 4.7 17.9 1.0
CB B:LYS24 4.7 16.5 1.0
PA B:AGS302 4.8 14.9 1.0
CG B:ASP127 4.8 18.0 1.0
O1A B:AGS302 4.9 15.5 1.0
CE B:LYS24 4.9 15.3 1.0
C B:LYS24 4.9 16.2 1.0
NZ A:LYS19 5.0 15.6 1.0

Magnesium binding site 4 out of 4 in 7ejw

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Magnesium binding site 4 out of 4 in the Crystal Structure of Flen in Complex with Fleq Aaa+ Doamain


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 Flen in Complex with Fleq Aaa+ Doamain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg401

b:34.1
occ:1.00
O C:HOH649 2.0 44.8 1.0
OE1 C:GLU268 2.2 45.3 1.0
O C:HOH581 2.3 47.1 1.0
OD1 C:ASN273 2.3 39.8 1.0
O C:SER272 2.4 39.3 1.0
O C:HOH585 2.7 34.8 1.0
O C:HOH651 2.8 56.9 1.0
CD C:GLU268 3.4 48.3 1.0
C C:SER272 3.5 35.5 1.0
CG C:ASN273 3.5 44.0 1.0
CA C:ASN273 3.9 42.1 1.0
CB C:GLU268 4.0 40.2 1.0
N C:ASN273 4.1 35.9 1.0
CG C:GLU268 4.3 40.2 1.0
CB C:ASN273 4.3 39.5 1.0
O C:HOH529 4.3 44.6 1.0
OE2 C:GLU268 4.3 57.0 1.0
ND2 C:ASN273 4.5 45.2 1.0
N C:SER272 4.6 29.2 1.0
O C:ARG269 4.6 28.7 1.0
O C:HOH557 4.7 41.2 1.0
CA C:SER272 4.7 34.8 1.0
O C:HOH575 4.8 51.2 1.0

Reference:

P.Banerjee, S.Raghav, H.N.Goswami, D.Jain. The Antiactivator Flen Uses An Allosteric Mechanism to Regulate Sigma 54 -Dependent Expression of Flagellar Genes in Pseudomonas Aeruginosa . Sci Adv V. 7 J1792 2021.
ISSN: ESSN 2375-2548
PubMed: 34669473
DOI: 10.1126/SCIADV.ABJ1792
Page generated: Fri Dec 24 06:38:12 2021

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