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Lutetium in PDB 1e8x: Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling

Enzymatic activity of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling

All present enzymatic activity of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling:
2.7.1.137;

Protein crystallography data

The structure of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling, PDB code: 1e8x was solved by E.H.Walker, O.Perisic, C.Ried, L.Stephens, R.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.00 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 143.288, 67.561, 106.952, 90.00, 95.93, 90.00
R / Rfree (%) 25.5 / 30.6

Lutetium Binding Sites:

The binding sites of Lutetium atom in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling (pdb code 1e8x). This binding sites where shown within 5.0 Angstroms radius around Lutetium atom.
In total 9 binding sites of Lutetium where determined in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling, PDB code: 1e8x:
Jump to Lutetium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Lutetium binding site 1 out of 9 in 1e8x

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Lutetium binding site 1 out of 9 in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 1 of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu3001

b:72.4
occ:1.00
 O3B A:ATP3000 2.3 91.8 1.0
ND2 A:ASN951 2.7 52.7 1.0
O3G A:ATP3000 2.7 91.6 1.0
OD2 A:ASP964 2.9 61.2 1.0
O3A A:ATP3000 2.9 89.3 1.0
PG A:ATP3000 3.1 92.3 1.0
PB A:ATP3000 3.2 89.9 1.0
CG A:ASP964 3.4 59.2 1.0
O2A A:ATP3000 3.5 86.2 1.0
C5' A:ATP3000 3.6 84.4 1.0
PA A:ATP3000 3.7 88.8 1.0
CB A:ASP964 3.8 56.2 1.0
CG A:ASN951 3.9 47.9 1.0
O1G A:ATP3000 4.0 93.4 1.0
O5' A:ATP3000 4.0 86.0 1.0
O2G A:ATP3000 4.1 94.0 1.0
O2B A:ATP3000 4.1 92.0 1.0
OD1 A:ASP964 4.2 63.2 1.0
OD1 A:ASN951 4.3 51.7 1.0
O1B A:ATP3000 4.3 89.9 1.0
LU A:LU3005 4.4 77.1 1.0
O A:ASP950 4.5 44.6 1.0
OD2 A:ASP950 4.6 53.2 1.0
CD1 A:ILE963 4.8 43.9 1.0
C4' A:ATP3000 4.9 81.0 1.0

Lutetium binding site 2 out of 9 in 1e8x

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Lutetium binding site 2 out of 9 in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 2 of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu3002

b:70.5
occ:1.00
 LU A:LU3004 3.6 72.8 1.0
LU A:LU3003 3.6 77.0 1.0
O A:HOH2015 3.6 48.3 1.0
O A:HOH2011 4.5 91.1 1.0
CB A:ASP171 4.6 60.4 1.0
CB A:VAL165 5.0 60.9 1.0

Lutetium binding site 3 out of 9 in 1e8x

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Lutetium binding site 3 out of 9 in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 3 of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu3003

b:77.0
occ:1.00
 O A:HOH2011 3.0 91.1 1.0
O A:HOH2015 3.2 48.3 1.0
LU A:LU3002 3.6 70.5 1.0
LU A:LU3004 3.7 72.8 1.0
NH2 A:ARG178 5.0 74.2 1.0

Lutetium binding site 4 out of 9 in 1e8x

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Lutetium binding site 4 out of 9 in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 4 of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu3004

b:72.8
occ:1.00
 O A:HOH2011 3.0 91.1 1.0
LU A:LU3002 3.6 70.5 1.0
LU A:LU3003 3.7 77.0 1.0
CB A:ASP171 4.5 60.4 1.0

Lutetium binding site 5 out of 9 in 1e8x

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Lutetium binding site 5 out of 9 in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 5 of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu3005

b:77.1
occ:1.00
 OD2 A:ASP964 2.4 61.2 1.0
O1B A:ATP3000 2.5 89.9 1.0
O3B A:ATP3000 2.6 91.8 1.0
O2G A:ATP3000 2.6 94.0 1.0
OD2 A:ASP836 2.8 61.3 1.0
OD1 A:ASP964 2.8 63.2 1.0
O A:HOH2193 2.9 66.5 1.0
CG A:ASP964 2.9 59.2 1.0
PB A:ATP3000 3.1 89.9 1.0
PG A:ATP3000 3.3 92.3 1.0
O A:HOH2252 3.3 77.5 1.0
OD1 A:ASP836 3.4 60.1 1.0
CG A:ASP836 3.4 55.2 1.0
O A:HOH2253 3.8 66.4 1.0
O3A A:ATP3000 4.1 89.3 1.0
O2B A:ATP3000 4.2 92.0 1.0
O1G A:ATP3000 4.2 93.4 1.0
NZ A:LYS833 4.3 50.7 1.0
O3G A:ATP3000 4.4 91.6 1.0
LU A:LU3001 4.4 72.4 1.0
CB A:ASP964 4.4 56.2 1.0
O2A A:ATP3000 4.4 86.2 1.0
O A:HOH2197 4.6 75.8 1.0
PA A:ATP3000 4.7 88.8 1.0
CE A:LYS808 4.8 69.2 1.0
CB A:ASP836 4.8 50.9 1.0
O A:ASP964 5.0 52.5 1.0

Lutetium binding site 6 out of 9 in 1e8x

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Lutetium binding site 6 out of 9 in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 6 of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu3006

b:86.4
occ:1.00
 OD2 A:ASP161 2.8 54.8 1.0
OD1 A:ASP164 3.1 68.3 1.0
O A:HOH2006 3.1 77.7 1.0
O A:HOH2007 3.1 64.2 1.0
OD2 A:ASP164 3.2 66.1 1.0
CG A:ASP164 3.5 67.0 1.0
O A:HOH2008 3.5 93.2 1.0
CG A:ASP161 3.8 54.6 1.0
CB A:ASP161 4.4 53.7 1.0
OD1 A:ASP161 4.8 56.4 1.0
CB A:ASP164 4.9 64.1 1.0

Lutetium binding site 7 out of 9 in 1e8x

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Lutetium binding site 7 out of 9 in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 7 of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu3007

b:0.7
occ:1.00
 OD2 A:ASP884 2.6 49.8 1.0
LU A:LU3008 3.2 0.3 1.0
LU A:LU3009 3.2 0.4 1.0
O A:HOH2225 3.2 75.0 1.0
CG A:ASP884 3.4 55.1 1.0
CB A:ASP884 3.7 51.1 1.0
O A:HOH2190 4.3 71.7 1.0
OD1 A:ASP884 4.5 58.6 1.0
OE1 A:GLU956 4.7 56.5 1.0

Lutetium binding site 8 out of 9 in 1e8x

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Lutetium binding site 8 out of 9 in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 8 of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu3008

b:0.3
occ:1.00
 LU A:LU3007 3.2 0.7 1.0
O A:HOH2088 3.7 24.3 1.0
LU A:LU3009 3.7 0.4 1.0
O A:HOH2089 3.8 27.5 1.0
CG A:GLU826 3.8 72.8 1.0
OE2 A:GLU826 4.2 76.9 1.0
CD A:GLU826 4.2 76.3 1.0
OD2 A:ASP884 4.6 49.8 1.0
CB A:GLU826 4.6 68.5 1.0

Lutetium binding site 9 out of 9 in 1e8x

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Lutetium binding site 9 out of 9 in the Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 9 of Structural Insights Into Phoshoinositide 3-Kinase Enzymatic Mechanism and Signalling within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu3009

b:0.4
occ:1.00
 O A:HOH2089 2.9 27.5 1.0
LU A:LU3007 3.2 0.7 1.0
O A:HOH2216 3.3 38.4 1.0
CB A:ASP884 3.7 51.1 1.0
LU A:LU3008 3.7 0.3 1.0
O A:HOH2225 3.9 75.0 1.0
OD2 A:ASP884 4.0 49.8 1.0
N A:ASP884 4.3 43.8 1.0
CA A:ASP884 4.3 46.8 1.0
CG A:ASP884 4.4 55.1 1.0

Reference:

E.H.Walker, M.E.Pacold, O.Perisic, L.Stephens, P.T.Hawkins, M.P.Whymann, R.L.Williams. Structural Determinations of Phosphoinositide 3-Kinase Inhibition By Wortmannin, LY294002, Quercetin, Myricetin and Staurosporine Mol.Cell V. 6 909 2000.
ISSN: ISSN 1097-2765
PubMed: 11090628
DOI: 10.1016/S1097-2765(05)00089-4
Page generated: Tue Aug 13 01:55:52 2024

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