Atomistry » Chlorine » PDB 4qol-4qv5 » 4qpm
Atomistry »
  Chlorine »
    PDB 4qol-4qv5 »
      4qpm »

Chlorine in PDB 4qpm: Structure of BUB1 Kinase Domain

Enzymatic activity of Structure of BUB1 Kinase Domain

All present enzymatic activity of Structure of BUB1 Kinase Domain:
2.7.11.1;

Protein crystallography data

The structure of Structure of BUB1 Kinase Domain, PDB code: 4qpm was solved by Z.H.Lin, L.Y.Jia, D.R.Tomchick, X.L.Luo, H.T.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.88 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 90.013, 47.180, 93.146, 90.00, 107.40, 90.00
R / Rfree (%) 22.9 / 26.9

Other elements in 4qpm:

The structure of Structure of BUB1 Kinase Domain also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of BUB1 Kinase Domain (pdb code 4qpm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of BUB1 Kinase Domain, PDB code: 4qpm:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4qpm

Go back to Chlorine Binding Sites List in 4qpm
Chlorine binding site 1 out of 3 in the Structure of BUB1 Kinase Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of BUB1 Kinase Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1504

b:75.3
occ:1.00
HD2 A:ARG1051 3.2 46.2 1.0
O A:HOH1666 3.6 38.1 1.0
HA A:ARG900 3.7 34.2 1.0
HH21 A:ARG1051 3.8 55.1 1.0
HB3 A:MET899 3.9 42.1 1.0
HB2 A:TYR903 4.0 43.5 1.0
CD A:ARG1051 4.1 38.5 1.0
NH2 A:ARG1051 4.2 45.9 1.0
HD3 A:ARG1051 4.3 46.2 1.0
HD3 A:ARG900 4.4 49.1 1.0
HB3 A:TYR903 4.4 43.5 1.0
CA A:ARG900 4.5 28.5 1.0
O A:MET899 4.5 35.6 1.0
HB2 A:MET899 4.5 42.1 1.0
N A:ARG900 4.5 29.1 1.0
HB2 A:ARG900 4.5 35.4 1.0
C A:MET899 4.5 32.7 1.0
CB A:TYR903 4.6 36.3 1.0
CB A:MET899 4.6 35.1 1.0
CZ A:ARG900 4.6 54.3 1.0
HH22 A:ARG1051 4.6 55.1 1.0
CG A:TYR903 4.6 38.6 1.0
NE A:ARG900 4.7 48.4 1.0
NE A:ARG1051 4.7 42.3 1.0
HE3 A:MET899 4.7 41.7 1.0
CZ A:ARG1051 4.8 47.2 1.0
HE A:ARG900 4.8 58.0 1.0
CD2 A:TYR903 4.9 35.8 1.0
H A:ARG900 4.9 34.9 1.0
NH2 A:ARG900 4.9 54.7 1.0
HD2 A:TYR903 4.9 43.0 1.0
NH1 A:ARG900 4.9 58.0 1.0

Chlorine binding site 2 out of 3 in 4qpm

Go back to Chlorine Binding Sites List in 4qpm
Chlorine binding site 2 out of 3 in the Structure of BUB1 Kinase Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of BUB1 Kinase Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1504

b:85.7
occ:1.00
HD11 B:LEU875 2.7 40.4 1.0
HZ3 B:LYS882 3.0 50.9 1.0
HZ1 B:LYS882 3.3 50.9 1.0
HD12 B:LEU875 3.4 40.4 1.0
CD1 B:LEU875 3.5 33.7 1.0
OD1 B:ASN879 3.5 33.9 1.0
NZ B:LYS882 3.5 42.4 1.0
O B:GLY1001 3.8 39.7 1.0
HD13 B:LEU875 4.0 40.4 1.0
HZ2 B:LYS882 4.0 50.9 1.0
HG B:CYS997 4.1 56.0 1.0
HD21 B:ASN879 4.1 40.4 1.0
SG B:CYS997 4.2 46.7 1.0
CG B:ASN879 4.4 32.4 1.0
C B:GLY1001 4.4 38.5 1.0
HG21 B:ILE878 4.5 28.9 1.0
HA2 B:GLY1001 4.5 40.3 1.0
HG22 B:ILE878 4.5 28.9 1.0
HG B:LEU875 4.5 37.5 1.0
HE2 B:LYS882 4.5 46.5 1.0
HA B:THR1002 4.6 54.4 1.0
ND2 B:ASN879 4.6 33.6 1.0
CG B:LEU875 4.6 31.3 1.0
CE B:LYS882 4.7 38.7 1.0
HD21 B:LEU875 4.7 35.7 1.0
HB B:ILE878 4.9 29.4 1.0
CG2 B:ILE878 4.9 24.1 1.0
HE1 B:TYR1003 5.0 89.8 1.0
CA B:GLY1001 5.0 33.6 1.0

Chlorine binding site 3 out of 3 in 4qpm

Go back to Chlorine Binding Sites List in 4qpm
Chlorine binding site 3 out of 3 in the Structure of BUB1 Kinase Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of BUB1 Kinase Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1505

b:84.4
occ:1.00
O B:HOH1655 2.5 45.3 1.0
HD2 B:ARG1051 3.3 37.7 1.0
HH11 B:ARG1051 3.8 43.8 1.0
HH11 B:ARG900 3.8 56.6 1.0
NH1 B:ARG900 3.9 47.2 1.0
HH12 B:ARG900 4.1 56.6 1.0
HB2 B:TYR903 4.1 37.6 1.0
NH1 B:ARG1051 4.1 36.5 1.0
HA B:ARG900 4.2 34.6 1.0
HD2 B:TYR903 4.2 43.4 1.0
CZ B:ARG900 4.2 46.7 1.0
CD B:ARG1051 4.2 31.4 1.0
OD2 B:ASP937 4.3 0.0 1.0
CD2 B:TYR903 4.3 36.2 1.0
HB3 B:TYR903 4.3 37.6 1.0
HB3 B:MET899 4.4 40.7 1.0
HE B:ARG900 4.4 52.6 1.0
CG B:TYR903 4.5 35.8 1.0
HH12 B:ARG1051 4.5 43.8 1.0
HD3 B:ARG1051 4.5 37.7 1.0
NE B:ARG900 4.5 43.8 1.0
CB B:TYR903 4.5 31.4 1.0
CZ B:ARG1051 4.6 39.9 1.0
NE B:ARG1051 4.6 35.9 1.0
HG B:SER939 4.8 42.6 1.0
NH2 B:ARG900 4.8 48.0 1.0
CE2 B:TYR903 4.9 36.9 1.0
O B:MET899 4.9 31.3 1.0
HH22 B:ARG900 5.0 57.6 1.0

Reference:

Z.Lin, L.Jia, D.R.Tomchick, X.Luo, H.Yu. Substrate-Specific Activation of the Mitotic Kinase BUB1 Through Intramolecular Autophosphorylation and Kinetochore Targeting. Structure 2014.
ISSN: ISSN 0969-2126
PubMed: 25308863
DOI: 10.1016/J.STR.2014.08.020
Page generated: Fri Jul 26 00:41:18 2024

Last articles

W in 8QLN
W in 8RJA
V in 8WTN
Te in 8QLN
Re in 9GHX
Rb in 8Z5C
Ni in 9C0T
Ni in 9C0S
Ni in 9GP1
Ni in 9FYO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy