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Fluorine in PDB 6vpl: TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp

Enzymatic activity of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp

All present enzymatic activity of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp:
2.7.11.1;

Protein crystallography data

The structure of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp, PDB code: 6vpl was solved by D.C.Lim, M.B.Yaffe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.07 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.637, 85.562, 152.934, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 20.1

Other elements in 6vpl:

The structure of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp (pdb code 6vpl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp, PDB code: 6vpl:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6vpl

Go back to Fluorine Binding Sites List in 6vpl
Fluorine binding site 1 out of 6 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F606

b:51.2
occ:1.00
 FBG A:R7D606 0.0 51.2 1.0
CBF A:R7D606 1.3 50.3 1.0
FBI A:R7D606 2.2 51.0 1.0
FBH A:R7D606 2.2 52.5 1.0
CBC A:R7D606 2.3 41.8 1.0
CBB A:R7D606 3.0 41.4 1.0
CBD A:R7D606 3.3 37.5 1.0
CE3 B:TRP277 3.4 26.0 1.0
O B:HOH940 3.4 48.2 1.0
CZ3 B:TRP277 3.5 29.9 1.0
CD2 A:LEU289 4.0 25.7 1.0
CBA A:R7D606 4.3 40.6 1.0
CBE A:R7D606 4.4 37.8 1.0
NH2 B:ARG255 4.6 24.2 1.0
CD2 B:TRP277 4.7 24.4 1.0
CH2 B:TRP277 4.9 25.3 1.0
CAY A:R7D606 4.9 40.9 1.0
O B:HOH735 5.0 38.6 1.0

Fluorine binding site 2 out of 6 in 6vpl

Go back to Fluorine Binding Sites List in 6vpl
Fluorine binding site 2 out of 6 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F606

b:52.5
occ:1.00
 FBH A:R7D606 0.0 52.5 1.0
CBF A:R7D606 1.3 50.3 1.0
FBI A:R7D606 2.2 51.0 1.0
FBG A:R7D606 2.2 51.2 1.0
CBC A:R7D606 2.3 41.8 1.0
CBD A:R7D606 2.6 37.5 1.0
CE A:MET300 3.4 20.0 1.0
NH2 B:ARG255 3.5 24.2 1.0
CBB A:R7D606 3.6 41.4 1.0
CD2 A:LEU289 3.7 25.7 1.0
CZ B:ARG255 3.9 24.7 1.0
CBE A:R7D606 4.0 37.8 1.0
CE B:MET305 4.0 23.7 1.0
CE3 B:TRP277 4.3 26.0 1.0
NH1 B:ARG255 4.4 23.3 1.0
NE B:ARG255 4.4 15.8 1.0
SD A:MET300 4.6 19.8 1.0
CBA A:R7D606 4.7 40.6 1.0
O B:TRP277 4.7 16.5 1.0
CAY A:R7D606 4.8 40.9 1.0
CB B:TRP277 4.9 17.6 1.0
CZ3 B:TRP277 5.0 29.9 1.0

Fluorine binding site 3 out of 6 in 6vpl

Go back to Fluorine Binding Sites List in 6vpl
Fluorine binding site 3 out of 6 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F606

b:51.0
occ:1.00
 FBI A:R7D606 0.0 51.0 1.0
CBF A:R7D606 1.3 50.3 1.0
FBG A:R7D606 2.2 51.2 1.0
FBH A:R7D606 2.2 52.5 1.0
CBC A:R7D606 2.2 41.8 1.0
CBB A:R7D606 2.8 41.4 1.0
CBD A:R7D606 3.4 37.5 1.0
NH2 B:ARG255 3.6 24.2 1.0
CE1 A:HIS306 3.6 49.7 1.0
CE B:MET305 3.6 23.7 1.0
NE2 A:HIS306 3.7 50.9 1.0
ND1 A:HIS306 3.9 47.7 1.0
O A:HOH836 4.0 41.2 1.0
CBA A:R7D606 4.1 40.6 1.0
CD2 A:HIS306 4.1 49.4 1.0
O B:HOH940 4.1 48.2 1.0
CG A:HIS306 4.3 40.8 1.0
CZ B:ARG255 4.3 24.7 1.0
NH1 B:ARG255 4.5 23.3 1.0
CBE A:R7D606 4.5 37.8 1.0
CAY A:R7D606 4.8 40.9 1.0

Fluorine binding site 4 out of 6 in 6vpl

Go back to Fluorine Binding Sites List in 6vpl
Fluorine binding site 4 out of 6 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F605

b:40.4
occ:1.00
 FBG B:R7D605 0.0 40.4 1.0
CBF B:R7D605 1.3 38.7 1.0
FBI B:R7D605 2.2 40.3 1.0
FBH B:R7D605 2.2 39.8 1.0
CBC B:R7D605 2.3 33.8 1.0
CBB B:R7D605 3.1 36.9 1.0
CBD B:R7D605 3.2 29.4 1.0
CE3 A:TRP277 3.5 24.9 1.0
CZ3 A:TRP277 3.6 31.4 1.0
CD2 B:LEU289 3.6 27.9 1.0
CBA B:R7D605 4.3 34.5 1.0
CBE B:R7D605 4.4 26.3 1.0
CD2 A:TRP277 4.7 20.6 1.0
CH2 A:TRP277 4.8 30.3 1.0
CAY B:R7D605 4.9 30.8 1.0

Fluorine binding site 5 out of 6 in 6vpl

Go back to Fluorine Binding Sites List in 6vpl
Fluorine binding site 5 out of 6 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F605

b:39.8
occ:1.00
 FBH B:R7D605 0.0 39.8 1.0
CBF B:R7D605 1.4 38.7 1.0
FBI B:R7D605 2.2 40.3 1.0
FBG B:R7D605 2.2 40.4 1.0
CBC B:R7D605 2.3 33.8 1.0
CBD B:R7D605 2.6 29.4 1.0
CE B:MET300 3.3 23.8 1.0
CE A:MET305 3.3 26.8 0.6
CBB B:R7D605 3.6 36.9 1.0
CE A:MET305 3.6 27.2 0.4
CD2 B:LEU289 3.8 27.9 1.0
CBE B:R7D605 4.0 26.3 1.0
NH2 A:ARG255 4.0 23.5 1.0
CZ A:ARG255 4.3 27.2 1.0
SD B:MET300 4.4 23.3 1.0
NH1 A:ARG255 4.5 23.8 1.0
CBA B:R7D605 4.7 34.5 1.0
CE3 A:TRP277 4.8 24.9 1.0
NE A:ARG255 4.8 18.2 1.0
CAY B:R7D605 4.9 30.8 1.0

Fluorine binding site 6 out of 6 in 6vpl

Go back to Fluorine Binding Sites List in 6vpl
Fluorine binding site 6 out of 6 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F605

b:40.3
occ:1.00
 FBI B:R7D605 0.0 40.3 1.0
CBF B:R7D605 1.3 38.7 1.0
FBG B:R7D605 2.2 40.4 1.0
FBH B:R7D605 2.2 39.8 1.0
CBC B:R7D605 2.3 33.8 1.0
CBB B:R7D605 2.8 36.9 1.0
CE A:MET305 3.4 26.8 0.6
CBD B:R7D605 3.4 29.4 1.0
CE1 B:HIS306 3.5 50.2 1.0
ND1 B:HIS306 3.5 47.8 1.0
CE A:MET305 3.8 27.2 0.4
NE2 B:HIS306 3.9 48.5 1.0
CG B:HIS306 3.9 42.8 1.0
CBA B:R7D605 4.1 34.5 1.0
CD2 B:HIS306 4.1 48.5 1.0
NH2 A:ARG255 4.3 23.5 1.0
O B:HOH777 4.4 38.9 1.0
CBE B:R7D605 4.6 26.3 1.0
CB B:HIS306 4.7 29.3 1.0
CAY B:R7D605 4.9 30.8 1.0
CZ A:ARG255 4.9 27.2 1.0
SD A:MET305 4.9 23.3 0.6

Reference:

D.C.Lim, V.Joukov, T.J.Rettenmaier, A.Kumagai, W.G.Dunphy, J.A.Wells, M.B.Yaffe. Redox Priming Promotes Aurora A Activation During Mitosis. Sci.Signal. V. 13 2020.
ISSN: ESSN 1937-9145
PubMed: 32694171
DOI: 10.1126/SCISIGNAL.ABB6707
Page generated: Tue Jul 15 16:46:52 2025

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