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Lead in PDB 2xal: Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6.

Enzymatic activity of Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6.

All present enzymatic activity of Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6.:
2.7.1.158;

Protein crystallography data

The structure of Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6., PDB code: 2xal was solved by B.Gonzalez, J.I.Banos-Sanz, M.Villate, C.A.Brearley, J.Sanz-Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 86.71 / 3.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.063, 110.971, 138.694, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 26.8

Other elements in 2xal:

The structure of Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6. also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Lead Binding Sites:

The binding sites of Lead atom in the Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6. (pdb code 2xal). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 4 binding sites of Lead where determined in the Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6., PDB code: 2xal:
Jump to Lead binding site number: 1; 2; 3; 4;

Lead binding site 1 out of 4 in 2xal

Go back to Lead Binding Sites List in 2xal
Lead binding site 1 out of 4 in the Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6.


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Pb501

b:27.1
occ:1.00
 OD2 A:ASP407 2.3 17.1 1.0
O1A A:ADP600 2.3 19.1 1.0
O3B A:ADP600 2.7 23.6 1.0
O42 A:I6P500 2.9 10.0 1.0
O22 A:I6P500 3.0 12.8 1.0
O2B A:ADP600 3.1 24.4 1.0
CG A:ASP407 3.3 16.3 1.0
PB A:ADP600 3.4 23.0 1.0
P2 A:I6P500 3.4 11.7 1.0
PA A:ADP600 3.7 18.2 1.0
CB A:ASP407 3.7 16.7 1.0
O3A A:ADP600 4.0 20.9 1.0
PB A:PB502 4.1 20.7 1.0
OD1 A:ASP407 4.3 15.5 1.0
CA A:GLY19 4.3 14.2 1.0
NZ A:LYS168 4.3 12.0 1.0
O32 A:I6P500 4.4 11.1 1.0
C5' A:ADP600 4.5 13.6 1.0
OG A:SER370 4.6 14.2 1.0
O A:ASP368 4.6 11.6 1.0
O2A A:ADP600 4.7 18.8 1.0
O3' A:ADP600 4.7 9.0 1.0
O12 A:I6P500 4.7 13.0 1.0
O5' A:ADP600 4.7 15.8 1.0
OD2 A:ASP368 4.7 11.7 1.0
O1B A:ADP600 4.8 22.8 1.0

Lead binding site 2 out of 4 in 2xal

Go back to Lead Binding Sites List in 2xal
Lead binding site 2 out of 4 in the Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6.


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Pb502

b:20.7
occ:1.00
 O2B A:ADP600 2.0 24.4 1.0
OD1 A:ASP407 2.3 15.5 1.0
O42 A:I6P500 2.4 10.0 1.0
OD2 A:ASP407 2.6 17.1 1.0
CG A:ASP407 2.8 16.3 1.0
OG A:SER409 3.1 16.9 1.0
PB A:ADP600 3.1 23.0 1.0
O1B A:ADP600 3.5 22.8 1.0
P2 A:I6P500 3.6 11.7 1.0
O43 A:I6P500 3.7 17.7 1.0
O3B A:ADP600 3.8 23.6 1.0
O32 A:I6P500 3.9 11.1 1.0
OD2 A:ASP368 4.0 11.7 1.0
PB A:PB501 4.1 27.1 1.0
CB A:SER409 4.2 16.1 1.0
CB A:ASP407 4.2 16.7 1.0
O3A A:ADP600 4.4 20.9 1.0
NZ A:LYS411 4.5 13.2 1.0
CB A:ALA21 4.5 16.4 1.0
O12 A:I6P500 4.5 13.0 1.0
P3 A:I6P500 4.6 17.1 1.0
O23 A:I6P500 4.7 16.8 1.0
O13 A:I6P500 4.7 16.2 1.0
O A:ASP407 4.8 17.7 1.0
O22 A:I6P500 4.8 12.8 1.0
O1A A:ADP600 4.8 19.1 1.0
NH2 A:ARG40 4.9 31.1 1.0
CA A:ASP407 5.0 16.9 1.0

Lead binding site 3 out of 4 in 2xal

Go back to Lead Binding Sites List in 2xal
Lead binding site 3 out of 4 in the Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6.


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 3 of Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pb503

b:30.7
occ:1.00
 OD2 B:ASP407 2.2 17.0 1.0
O1A B:ADP600 2.3 10.4 1.0
O22 B:I6P500 2.3 12.9 1.0
O2B B:ADP600 2.4 9.5 1.0
CG B:ASP407 3.1 16.1 1.0
PA B:ADP600 3.5 8.4 1.0
CB B:ASP407 3.5 16.6 1.0
O3A B:ADP600 3.5 8.5 1.0
PB B:ADP600 3.6 11.0 1.0
P2 B:I6P500 3.6 12.7 1.0
O42 B:I6P500 4.0 15.1 1.0
PB B:PB504 4.2 22.5 1.0
OG B:SER370 4.2 14.4 1.0
OD1 B:ASP407 4.2 15.0 1.0
CA B:GLY19 4.3 13.9 1.0
O3' B:ADP600 4.3 11.4 1.0
O32 B:I6P500 4.3 13.5 1.0
O5' B:ADP600 4.4 6.5 1.0
O1B B:ADP600 4.5 10.1 1.0
O3B B:ADP600 4.6 10.0 1.0
O B:ASP368 4.6 11.3 1.0
NZ B:LYS168 4.6 11.5 1.0
O2A B:ADP600 4.7 8.9 1.0
O12 B:I6P500 4.8 13.1 1.0
C5' B:ADP600 4.9 6.0 1.0
N B:GLY19 4.9 13.9 1.0
C3' B:ADP600 5.0 8.3 1.0

Lead binding site 4 out of 4 in 2xal

Go back to Lead Binding Sites List in 2xal
Lead binding site 4 out of 4 in the Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6.


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 4 of Lead Derivative of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Adp and IP6. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pb504

b:22.5
occ:1.00
 OD1 B:ASP407 2.1 15.0 1.0
O42 B:I6P500 2.3 15.1 1.0
OD2 B:ASP407 2.4 17.0 1.0
O2B B:ADP600 2.4 9.5 1.0
CG B:ASP407 2.5 16.1 1.0
OG B:SER409 2.7 16.6 1.0
O1B B:ADP600 2.8 10.1 1.0
PB B:ADP600 3.1 11.0 1.0
P2 B:I6P500 3.4 12.7 1.0
O23 B:I6P500 3.7 18.9 1.0
CB B:SER409 3.9 15.8 1.0
O22 B:I6P500 3.9 12.9 1.0
O3B B:ADP600 3.9 10.0 1.0
CB B:ASP407 4.0 16.6 1.0
OD2 B:ASP368 4.0 10.8 1.0
O32 B:I6P500 4.0 13.5 1.0
PB B:PB503 4.2 30.7 1.0
NZ B:LYS411 4.4 12.7 1.0
O B:ASP407 4.4 17.6 1.0
CB B:ALA21 4.4 15.9 1.0
O3A B:ADP600 4.5 8.5 1.0
P3 B:I6P500 4.6 18.5 1.0
O43 B:I6P500 4.6 16.8 1.0
O1A B:ADP600 4.7 10.4 1.0
CA B:ASP407 4.7 16.8 1.0
O12 B:I6P500 4.7 13.1 1.0
C B:ASP407 4.8 17.0 1.0
O13 B:I6P500 4.8 17.2 1.0
N B:SER409 4.9 16.2 1.0
NH2 B:ARG40 4.9 31.7 1.0
PA B:ADP600 5.0 8.4 1.0

Reference:

B.Gonzalez, J.I.Banos-Sanz, M.Villate, C.A.Brearley, J.Sanz-Aparicio. Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase Is A Distant Ipk Member with A Singular Inositide Binding Site For Axial 2-Oh Recognition. Proc.Natl.Acad.Sci.Usa V. 107 9608 2010.
ISSN: ISSN 0027-8424
PubMed: 20453199
DOI: 10.1073/PNAS.0912979107
Page generated: Thu Oct 10 10:05:42 2024

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