Atomistry » Bromine » PDB 4tm3-4x4t » 4uba
Atomistry »
  Bromine »
    PDB 4tm3-4x4t »
      4uba »

Bromine in PDB 4uba: Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26)

Enzymatic activity of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26)

All present enzymatic activity of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26):
2.7.11.1;

Protein crystallography data

The structure of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26), PDB code: 4uba was solved by K.Niefind, N.Bischoff, B.Guerra, A.Golub, O.-G.Issinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.55 / 3.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 126.000, 126.000, 124.140, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 23.9

Bromine Binding Sites:

The binding sites of Bromine atom in the Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26) (pdb code 4uba). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26), PDB code: 4uba:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 4uba

Go back to Bromine Binding Sites List in 4uba
Bromine binding site 1 out of 4 in the Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:71.8
occ:0.77
 BRF A:3G5401 0.0 71.8 0.8
CAQ A:3G5401 1.9 27.4 0.8
CAW A:3G5401 2.9 41.3 0.8
CAK A:3G5401 2.9 41.8 0.8
OAM A:3G5401 3.0 43.3 0.8
O A:HOH507 3.3 18.3 1.0
CB A:LEU45 4.1 39.9 1.0
CAV A:3G5401 4.2 46.5 0.8
CAO A:3G5401 4.2 55.7 0.8
SD A:MET163 4.3 66.5 1.0
CAT A:3G5401 4.3 29.0 0.8
CAJ A:3G5401 4.4 27.9 0.8
CE A:MET163 4.5 0.1 1.0
O A:LEU45 4.5 62.2 1.0
CG1 A:VAL53 4.6 40.4 1.0
CD1 A:LEU45 4.7 54.8 1.0
CAL A:3G5401 4.7 50.9 0.8
C A:LEU45 4.7 52.0 1.0
ND2 A:ASN118 4.9 64.9 1.0
CAR A:3G5401 4.9 32.7 0.8

Bromine binding site 2 out of 4 in 4uba

Go back to Bromine Binding Sites List in 4uba
Bromine binding site 2 out of 4 in the Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:0.8
occ:0.77
 BRE A:3G5401 0.0 0.8 0.8
CAO A:3G5401 1.9 55.7 0.8
CAL A:3G5401 2.9 50.9 0.8
CAK A:3G5401 2.9 41.8 0.8
N A:ASN118 3.9 82.4 1.0
O A:VAL116 4.0 77.4 1.0
CB A:ASN118 4.1 65.4 1.0
O A:ASN118 4.1 90.2 1.0
CAQ A:3G5401 4.2 27.4 0.8
CAV A:3G5401 4.2 46.5 0.8
CA A:ASN118 4.5 68.4 1.0
NE2 A:HIS115 4.5 85.0 1.0
CD2 A:LEU45 4.6 45.5 1.0
NH1 A:ARG43 4.7 60.9 1.0
CD1 A:LEU45 4.7 54.8 1.0
CAW A:3G5401 4.7 41.3 0.8
CE1 A:HIS115 4.8 90.0 1.0
C A:ASN118 4.8 81.0 1.0
C A:ASN117 4.8 96.7 1.0
CA A:ASN117 4.9 96.7 1.0

Bromine binding site 3 out of 4 in 4uba

Go back to Bromine Binding Sites List in 4uba
Bromine binding site 3 out of 4 in the Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br401

b:86.3
occ:0.77
 BRF B:3G5401 0.0 86.3 0.8
CAQ B:3G5401 1.9 19.1 0.8
CAK B:3G5401 2.9 27.6 0.8
CAW B:3G5401 2.9 32.1 0.8
OAM B:3G5401 3.0 43.3 0.8
CAV B:3G5401 4.2 29.6 0.8
CAO B:3G5401 4.2 43.3 0.8
CG1 B:VAL53 4.3 47.9 1.0
CAT B:3G5401 4.3 30.7 0.8
CB B:LEU45 4.4 56.1 1.0
CAJ B:3G5401 4.5 18.7 0.8
O B:LEU45 4.5 56.4 1.0
CB B:VAL53 4.7 47.5 1.0
C B:LEU45 4.7 50.6 1.0
CAL B:3G5401 4.7 44.3 0.8
O B:HOH511 4.8 41.3 1.0
CAR B:3G5401 5.0 26.0 0.8
N B:GLY46 5.0 51.5 1.0
CG2 B:VAL53 5.0 40.0 1.0

Bromine binding site 4 out of 4 in 4uba

Go back to Bromine Binding Sites List in 4uba
Bromine binding site 4 out of 4 in the Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Low-Salt Structure of Protein Kinase CK2 Catalytic Subunit with 4'- Carboxy-6,8-Bromo-Flavonol (FLC26) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br401

b:0.9
occ:0.77
 BRE B:3G5401 0.0 0.9 0.8
CAO B:3G5401 1.9 43.3 0.8
CAL B:3G5401 2.9 44.3 0.8
CAK B:3G5401 2.9 27.6 0.8
CAQ B:3G5401 4.2 19.1 0.8
CAV B:3G5401 4.2 29.6 0.8
CD2 B:LEU45 4.2 47.0 1.0
CB B:ASN118 4.3 77.7 1.0
CD1 B:LEU45 4.3 56.8 1.0
O B:ASN118 4.4 93.8 1.0
N B:ASN118 4.4 77.7 1.0
O B:VAL116 4.6 91.3 1.0
CAW B:3G5401 4.7 32.1 0.8
CG B:LEU45 4.8 54.8 1.0
CA B:ASN118 4.8 77.8 1.0
NE2 B:HIS115 5.0 89.8 1.0
NH1 B:ARG43 5.0 88.8 1.0

Reference:

B.Guerra, N.Bischoff, V.G.Bdzhola, S.M.Yarmoluk, O.G.Issinger, A.G.Golub, K.Niefind. A Note of Caution on the Role of Halogen Bonds For Protein Kinase/Inhibitor Recognition Suggested By High- and Low-Salt CK2 Alpha Complex Structures. Acs Chem.Biol. V. 10 1654 2015.
ISSN: ESSN 1554-8937
PubMed: 25961323
DOI: 10.1021/ACSCHEMBIO.5B00235
Page generated: Wed Jul 10 22:45:19 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