Atomistry » Magnesium » PDB 4j9k-4jj2 » 4jav
Atomistry »
  Magnesium »
    PDB 4j9k-4jj2 »
      4jav »

Magnesium in PDB 4jav: Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V)

Enzymatic activity of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V)

All present enzymatic activity of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V):
2.7.13.3;

Protein crystallography data

The structure of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V), PDB code: 4jav was solved by A.I.Podgornaia, P.Casino, A.Marina, M.T.Laub, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.55 / 3.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 119.319, 143.928, 138.969, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 25.3

Other elements in 4jav:

The structure of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V) also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V) (pdb code 4jav). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V), PDB code: 4jav:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4jav

Go back to Magnesium Binding Sites List in 4jav
Magnesium binding site 1 out of 4 in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:40.4
occ:1.00
 OD1 A:ASN380 2.4 59.2 1.0
O1B A:ADP504 2.5 51.0 1.0
O1A A:ADP504 2.5 48.2 1.0
O3 A:SO4502 2.7 0.2 1.0
O A:HOH608 3.0 47.6 1.0
NZ A:LYS383 3.3 67.6 1.0
PB A:ADP504 3.3 52.4 1.0
CG A:ASN380 3.4 58.2 1.0
O3B A:ADP504 3.5 52.3 1.0
O3A A:ADP504 3.5 50.8 1.0
PA A:ADP504 3.6 48.8 1.0
ND2 A:ASN379 3.7 65.5 1.0
ND2 A:ASN380 3.8 58.7 1.0
CE A:LYS383 4.0 66.1 1.0
S A:SO4502 4.1 0.2 1.0
CA A:GLY445 4.4 52.5 1.0
O A:ASN376 4.5 56.2 1.0
O5' A:ADP504 4.5 50.7 1.0
O1 A:SO4502 4.6 0.1 1.0
N A:GLY445 4.7 52.6 1.0
O2 A:SO4502 4.7 0.9 1.0
O2B A:ADP504 4.8 49.7 1.0
O2A A:ADP504 4.8 49.4 1.0
CB A:ASN380 4.8 57.6 1.0
CG A:ASN379 4.9 65.9 1.0
CA A:ASN380 5.0 57.5 1.0

Magnesium binding site 2 out of 4 in 4jav

Go back to Magnesium Binding Sites List in 4jav
Magnesium binding site 2 out of 4 in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg504

b:60.8
occ:1.00
 O1A B:ADP505 2.5 70.6 1.0
OD1 B:ASN380 2.7 72.3 1.0
O3B B:ADP505 3.1 71.4 1.0
O1B B:ADP505 3.4 70.8 1.0
NZ B:LYS383 3.5 88.5 1.0
CG B:ASN380 3.7 72.6 1.0
ND2 B:ASN379 3.7 87.7 1.0
PB B:ADP505 3.7 70.1 1.0
O2 B:SO4503 3.8 0.4 1.0
PA B:ADP505 3.8 71.6 1.0
CA B:GLY445 3.9 66.5 1.0
ND2 B:ASN380 3.9 73.7 1.0
O B:ASN376 4.2 65.8 1.0
OD1 B:ASN376 4.3 74.1 1.0
O3A B:ADP505 4.3 70.5 1.0
O1 B:SO4503 4.6 0.9 1.0
N B:GLY445 4.6 67.7 1.0
O2A B:ADP505 4.6 71.0 1.0
S B:SO4503 4.7 0.7 1.0
CE B:LYS383 4.8 87.5 1.0
C B:GLY445 4.8 66.0 1.0
CG B:ASN379 4.9 85.5 1.0
O5' B:ADP505 5.0 72.3 1.0

Magnesium binding site 3 out of 4 in 4jav

Go back to Magnesium Binding Sites List in 4jav
Magnesium binding site 3 out of 4 in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg201

b:40.3
occ:1.00
 F1 C:BFD53 1.8 54.0 1.0
OD1 C:ASP10 2.2 55.7 1.0
O C:MET55 2.4 56.2 1.0
OD2 C:BFD53 2.4 48.7 1.0
O C:HOH304 3.0 50.3 1.0
BE C:BFD53 3.2 53.0 1.0
CG C:ASP10 3.2 54.1 1.0
CG C:BFD53 3.4 49.5 1.0
OD2 C:ASP10 3.4 55.3 1.0
C C:MET55 3.5 56.3 1.0
OD1 C:BFD53 3.7 49.6 1.0
OD1 C:ASP9 3.7 53.5 1.0
F2 C:BFD53 3.8 54.5 1.0
CB C:MET55 4.1 55.1 1.0
CA C:MET55 4.2 54.9 1.0
F3 C:BFD53 4.4 51.3 1.0
NZ C:LYS105 4.5 49.4 1.0
N C:MET55 4.5 54.4 1.0
CB C:ASP10 4.5 53.4 1.0
N C:ASP10 4.6 54.1 1.0
N C:MET56 4.6 56.6 1.0
CG C:MET56 4.6 54.2 1.0
CG C:ASP9 4.7 53.8 1.0
CB C:BFD53 4.8 48.4 1.0
N C:SER11 4.8 53.1 1.0
CA C:MET56 4.9 56.0 1.0

Magnesium binding site 4 out of 4 in 4jav

Go back to Magnesium Binding Sites List in 4jav
Magnesium binding site 4 out of 4 in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853WT and RR468MUTANT V13P, L14I, I17M and N21V) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg201

b:45.5
occ:1.00
 F1 D:BFD53 1.8 64.2 1.0
OD1 D:ASP10 2.2 57.9 1.0
O D:MET55 2.4 71.2 1.0
OD2 D:BFD53 2.4 55.8 1.0
BE D:BFD53 3.1 64.3 1.0
CG D:ASP10 3.1 56.1 1.0
OD2 D:ASP10 3.3 55.4 1.0
CG D:BFD53 3.5 57.2 1.0
C D:MET55 3.5 69.2 1.0
OD1 D:BFD53 3.8 56.9 1.0
F2 D:BFD53 3.9 65.5 1.0
OD1 D:ASP9 4.0 57.5 1.0
CB D:MET55 4.1 70.7 1.0
CA D:MET55 4.2 68.5 1.0
F3 D:BFD53 4.2 63.9 1.0
N D:MET55 4.4 66.4 1.0
CB D:ASP10 4.5 55.0 1.0
NZ D:LYS105 4.6 57.6 1.0
N D:MET56 4.6 67.3 1.0
N D:ASP10 4.6 55.3 1.0
CG D:MET56 4.7 60.8 1.0
CB D:BFD53 4.8 57.1 1.0
CG D:ASP9 4.9 58.8 1.0
CA D:MET56 4.9 66.6 1.0

Reference:

A.I.Podgornaia, P.Casino, A.Marina, M.T.Laub. Structural Basis of A Rationally Rewired Protein-Protein Interface Critical to Bacterial Signaling Structure V. 21 1636 2013.
ISSN: ISSN 0969-2126
PubMed: 23954504
DOI: 10.1016/J.STR.2013.07.005
Page generated: Fri Aug 16 17:20:09 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