Atomistry » Magnesium » PDB 4lja-4lsh » 4lrj
Atomistry »
  Magnesium »
    PDB 4lja-4lsh »
      4lrj »

Magnesium in PDB 4lrj: Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+

Enzymatic activity of Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+

All present enzymatic activity of Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+:
2.7.11.1;

Protein crystallography data

The structure of Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+, PDB code: 4lrj was solved by M.Cygler, A.M.Grishin, Montreal-Kingston Bacterial Structural Genomicsinitiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.26 / 1.62
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 40.698, 98.205, 40.774, 90.00, 96.31, 90.00
R / Rfree (%) 16 / 18.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+ (pdb code 4lrj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+, PDB code: 4lrj:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4lrj

Go back to Magnesium Binding Sites List in 4lrj
Magnesium binding site 1 out of 4 in the Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:54.1
occ:1.00
O1B A:ANP301 2.0 44.9 1.0
O A:HOH551 2.1 39.5 1.0
OD2 A:ASP258 2.2 40.8 1.0
O A:HOH559 2.3 46.8 1.0
O1A A:ANP301 2.4 25.1 1.0
CG A:ASP258 3.0 36.5 1.0
O A:HOH552 3.2 31.8 1.0
PB A:ANP301 3.3 45.9 1.0
CB A:ASP258 3.5 28.0 1.0
PA A:ANP301 3.6 28.4 1.0
O A:HOH521 3.6 31.6 1.0
O A:HOH553 3.6 34.5 1.0
O3A A:ANP301 3.7 70.9 1.0
O A:HOH558 3.7 39.2 1.0
OD1 A:ASN244 3.8 26.9 1.0
O A:HOH450 3.9 32.6 1.0
OD1 A:ASP258 3.9 39.7 1.0
O2G A:ANP301 4.0 38.2 1.0
O2B A:ANP301 4.1 45.2 1.0
NZ A:LYS159 4.4 21.5 1.0
O A:HOH554 4.5 34.7 1.0
N3B A:ANP301 4.5 39.3 1.0
O5' A:ANP301 4.5 32.1 1.0
O2A A:ANP301 4.6 28.5 1.0
PG A:ANP301 4.6 37.4 1.0
CG A:ASN244 4.6 24.2 1.0
CA A:ASP258 4.7 24.1 1.0
O1G A:ANP301 4.8 55.4 1.0
N A:ASP258 4.8 23.0 1.0

Magnesium binding site 2 out of 4 in 4lrj

Go back to Magnesium Binding Sites List in 4lrj
Magnesium binding site 2 out of 4 in the Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:26.6
occ:1.00
O A:HOH487 2.0 32.9 1.0
O A:HOH548 2.1 27.5 1.0
O A:ASN193 2.7 22.1 1.0
O A:HOH549 3.1 27.3 1.0
C A:ASN193 3.6 20.6 1.0
CA A:ASN193 4.3 20.5 1.0
N A:GLY194 4.5 18.9 1.0
CA A:GLY194 4.7 16.5 1.0
CB A:ASN193 4.7 24.8 1.0

Magnesium binding site 3 out of 4 in 4lrj

Go back to Magnesium Binding Sites List in 4lrj
Magnesium binding site 3 out of 4 in the Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:38.5
occ:1.00
O A:HOH460 2.0 34.4 1.0
O A:HOH483 2.4 28.5 1.0
O A:HOH446 2.5 22.9 1.0
O A:LEU210 2.9 27.1 1.0
O A:HOH417 3.0 26.0 1.0
O A:HOH544 3.9 44.9 1.0
C A:LEU210 4.0 26.9 1.0
O A:HOH491 4.5 41.9 1.0
OE2 A:GLU242 4.6 23.5 1.0
NZ A:LYS292 4.6 23.5 1.0
CA A:LEU210 4.6 26.6 1.0
OE1 A:GLU242 4.6 24.9 1.0
O A:ILE212 4.8 23.1 1.0
CD1 A:LEU210 4.8 21.0 1.0
O A:LEU209 4.9 26.3 1.0
N A:ASN211 5.0 27.4 1.0
CD A:GLU242 5.0 23.6 1.0

Magnesium binding site 4 out of 4 in 4lrj

Go back to Magnesium Binding Sites List in 4lrj
Magnesium binding site 4 out of 4 in the Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Bacterial Effector NLEH1 Kinase Domain with Amppnp and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:38.0
occ:1.00
O B:HOH514 1.9 34.2 1.0
O1B B:ANP301 2.0 52.6 1.0
OD2 B:ASP258 2.3 41.4 1.0
O B:HOH515 2.4 40.5 1.0
O1A B:ANP301 2.4 37.8 1.0
O B:HOH516 2.7 36.3 1.0
CG B:ASP258 3.2 38.5 1.0
PB B:ANP301 3.4 53.4 1.0
PA B:ANP301 3.5 39.3 1.0
O3A B:ANP301 3.7 68.3 1.0
CB B:ASP258 3.7 32.6 1.0
OD1 B:ASN244 3.8 25.8 1.0
O1G B:ANP301 3.8 57.7 1.0
O B:HOH522 4.0 38.2 1.0
NZ B:LYS159 4.1 22.3 0.5
OD1 B:ASP258 4.2 40.6 1.0
N3B B:ANP301 4.3 47.8 1.0
O2B B:ANP301 4.4 54.2 1.0
NZ B:LYS159 4.4 20.6 0.5
O5' B:ANP301 4.4 31.8 1.0
O B:HOH519 4.4 43.0 1.0
OD2 B:ASP239 4.5 37.9 1.0
PG B:ANP301 4.5 82.3 1.0
CG B:ASN244 4.6 23.6 1.0
O2G B:ANP301 4.6 70.7 1.0
O2A B:ANP301 4.7 39.4 1.0
CA B:ASP258 5.0 28.1 1.0
N B:ASP258 5.0 25.4 1.0

Reference:

A.M.Grishin, M.Cherney, D.H.Anderson, S.Phanse, M.Babu, M.Cygler. Nleh Defines A New Family of Bacterial Effector Kinases. Structure V. 22 250 2014.
ISSN: ISSN 0969-2126
PubMed: 24373767
DOI: 10.1016/J.STR.2013.11.006
Page generated: Mon Aug 11 20:06:36 2025

Last articles

Mg in 4RJK
Mg in 4RKD
Mg in 4RKF
Mg in 4RJJ
Mg in 4RKE
Mg in 4RKC
Mg in 4RGE
Mg in 4RJL
Mg in 4RJI
Mg in 4RIY
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy