Atomistry » Fluorine » PDB 6vix-6w0z » 6vpl
Atomistry »
  Fluorine »
    PDB 6vix-6w0z »
      6vpl »

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: Fri Aug 2 03:12:19 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy