Atomistry » Iodine » PDB 2qqt-2y5e » 2vuw
Atomistry »
  Iodine »
    PDB 2qqt-2y5e »
      2vuw »

Iodine in PDB 2vuw: Structure of Human Haspin Kinase Domain

Enzymatic activity of Structure of Human Haspin Kinase Domain

All present enzymatic activity of Structure of Human Haspin Kinase Domain:
2.7.11.1;

Protein crystallography data

The structure of Structure of Human Haspin Kinase Domain, PDB code: 2vuw was solved by J.Eswaran, J.W.Murray, P.Filippakopoulos, M.Soundararajan, A.C.W.Pike, F.Von Delft, S.Picaud, T.Keates, O.King, M.Wickstroem, C.Bountra, A.M.Edwards, C.H.Arrowsmith, O.Fedorov, N.Burgess-Brown, J.Bray, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.45 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.661, 78.775, 79.860, 90.00, 90.00, 90.00
R / Rfree (%) 14.7 / 16.9

Other elements in 2vuw:

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

Nickel (Ni) 1 atom

Iodine Binding Sites:

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

Iodine binding site 1 out of 3 in 2vuw

Go back to Iodine Binding Sites List in 2vuw
Iodine binding site 1 out of 3 in the Structure of Human Haspin Kinase Domain


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Human Haspin Kinase Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1799

b:25.0
occ:0.25
I A:IOD1799 0.0 25.0 0.2
I A:IOD1799 1.5 18.9 0.2
O A:HOH2259 2.5 21.4 1.0
HZ1 A:LYS511 2.5 20.9 1.0
IAE A:5ID1800 2.8 19.5 0.6
HD2 A:LYS511 2.9 16.4 1.0
HA A:ASP687 3.1 10.8 1.0
HB A:ILE686 3.3 11.0 1.0
H A:ASP687 3.3 12.3 1.0
HD11 A:ILE686 3.4 15.6 1.0
HB2 A:ASP687 3.4 12.4 1.0
NZ A:LYS511 3.4 23.9 1.0
CA A:ASP687 3.7 13.3 1.0
N A:ASP687 3.7 15.2 1.0
CD A:LYS511 3.7 18.5 1.0
HZ2 A:LYS511 3.8 20.9 1.0
CB A:ASP687 3.9 14.4 1.0
HZ3 A:LYS511 4.0 20.9 1.0
HD3 A:LYS511 4.0 16.4 1.0
CE A:LYS511 4.0 22.0 1.0
C7 A:5ID1800 4.1 16.9 1.0
HE3 A:LYS511 4.1 19.0 1.0
O A:HOH2077 4.2 18.2 1.0
HE2 A:PHE605 4.2 14.8 1.0
CB A:ILE686 4.2 13.7 1.0
CD1 A:ILE686 4.3 18.3 1.0
CG A:ASP687 4.3 25.1 1.0
C8 A:5ID1800 4.4 14.9 1.0
CE2 A:PHE605 4.4 17.9 1.0
HB2 A:LYS511 4.5 10.3 1.0
OD1 A:ASP687 4.5 19.2 1.0
HD12 A:ILE686 4.6 15.6 1.0
CG1 A:ILE686 4.6 14.4 1.0
HG13 A:ILE686 4.6 11.5 1.0
C A:ILE686 4.7 14.6 1.0
O5' A:5ID1800 4.7 22.9 1.0
OE2 A:GLU535 4.7 20.1 1.0
CZ A:PHE605 4.7 18.7 1.0
HZ A:PHE605 4.7 15.5 1.0
OD2 A:ASP687 4.8 34.4 1.0
HB3 A:ASP687 4.8 12.4 1.0
O A:HOH2214 4.9 23.9 1.0
HE2 A:LYS511 4.9 19.0 1.0
CG A:LYS511 4.9 14.5 1.0
HD13 A:ILE686 4.9 15.6 1.0
H A:TYR688 4.9 12.6 1.0
HG22 A:ILE686 5.0 12.6 1.0

Iodine binding site 2 out of 3 in 2vuw

Go back to Iodine Binding Sites List in 2vuw
Iodine binding site 2 out of 3 in the Structure of Human Haspin Kinase Domain


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Human Haspin Kinase Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1799

b:18.9
occ:0.21
I A:IOD1799 0.0 18.9 0.2
I A:IOD1799 1.5 25.0 0.2
HZ1 A:LYS511 2.4 20.9 1.0
HD2 A:LYS511 3.1 16.4 1.0
HD11 A:ILE686 3.1 15.6 1.0
HB2 A:ASP687 3.2 12.4 1.0
NZ A:LYS511 3.3 23.9 1.0
O5' A:5ID1800 3.3 22.9 1.0
IAE A:5ID1800 3.5 19.5 0.6
HE3 A:LYS511 3.5 19.0 1.0
HZ3 A:LYS511 3.6 20.9 1.0
O A:HOH2214 3.7 23.9 1.0
HA A:ASP687 3.7 10.8 1.0
CE A:LYS511 3.7 22.0 1.0
CB A:ASP687 3.8 14.4 1.0
CD A:LYS511 3.8 18.5 1.0
CG A:ASP687 3.9 25.1 1.0
C8 A:5ID1800 3.9 14.9 1.0
O A:HOH2259 3.9 21.4 1.0
HZ2 A:LYS511 4.0 20.9 1.0
OD2 A:ASP687 4.0 34.4 1.0
HB A:ILE686 4.0 11.0 1.0
CD1 A:ILE686 4.1 18.3 1.0
HG23 A:VAL498 4.1 11.7 1.0
C7 A:5ID1800 4.2 16.9 1.0
CA A:ASP687 4.2 13.3 1.0
H A:ASP687 4.3 12.3 1.0
HZ A:PHE495 4.3 19.0 1.0
OD1 A:ASP687 4.4 19.2 1.0
HD3 A:LYS511 4.4 16.4 1.0
N A:ASP687 4.5 15.2 1.0
HD13 A:ILE686 4.5 15.6 1.0
CZ A:PHE495 4.5 21.5 1.0
HD12 A:ILE686 4.5 15.6 1.0
HG21 A:VAL498 4.6 11.7 1.0
HG13 A:ILE686 4.7 11.5 1.0
HE1 A:PHE495 4.7 22.9 1.0
HB3 A:ASP687 4.7 12.4 1.0
HG3 A:LYS511 4.7 11.9 1.0
HE2 A:LYS511 4.7 19.0 1.0
HB2 A:LYS511 4.8 10.3 1.0
CE1 A:PHE495 4.8 25.4 1.0
O A:HOH2261 4.8 32.8 1.0
CG1 A:ILE686 4.8 14.4 1.0
C5' A:5ID1800 4.8 21.8 1.0
CG2 A:VAL498 4.8 14.2 1.0
CB A:ILE686 4.9 13.7 1.0
CG A:LYS511 4.9 14.5 1.0

Iodine binding site 3 out of 3 in 2vuw

Go back to Iodine Binding Sites List in 2vuw
Iodine binding site 3 out of 3 in the Structure of Human Haspin Kinase Domain


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Human Haspin Kinase Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1800

b:19.5
occ:0.57
IAE A:5ID1800 0.0 19.5 0.6
C7 A:5ID1800 2.1 16.9 1.0
I A:IOD1799 2.8 25.0 0.2
C8 A:5ID1800 3.1 14.9 1.0
C5 A:5ID1800 3.1 15.4 1.0
HD2 A:PHE605 3.4 14.2 1.0
N6 A:5ID1800 3.5 16.0 1.0
I A:IOD1799 3.5 18.9 0.2
CD2 A:PHE605 3.5 17.8 1.0
O A:HOH2259 3.7 21.4 1.0
C6 A:5ID1800 3.7 17.8 1.0
HB A:ILE686 3.8 11.0 1.0
CE2 A:PHE605 3.8 17.9 1.0
HD11 A:ILE686 3.9 15.6 1.0
HE2 A:PHE605 3.9 14.8 1.0
HD2 A:LYS511 3.9 16.4 1.0
HB2 A:LYS511 3.9 10.3 1.0
HG22 A:ILE686 4.0 12.6 1.0
HB2 A:PHE605 4.1 12.2 1.0
CG A:PHE605 4.1 13.1 1.0
HD12 A:ILE686 4.2 15.6 1.0
HG13 A:VAL498 4.2 12.5 1.0
N9 A:5ID1800 4.2 15.1 1.0
C4 A:5ID1800 4.3 16.2 1.0
HB1 A:ALA509 4.4 13.5 1.0
HB3 A:ALA509 4.4 13.5 1.0
CD1 A:ILE686 4.4 18.3 1.0
HG23 A:ILE686 4.5 12.6 1.0
CG2 A:ILE686 4.6 15.8 1.0
CB A:ILE686 4.6 13.7 1.0
HG12 A:VAL498 4.6 12.5 1.0
CB A:PHE605 4.6 15.5 1.0
CZ A:PHE605 4.6 18.7 1.0
HG23 A:ILE557 4.6 12.2 0.5
HG23 A:VAL498 4.6 11.7 1.0
HG12 A:ILE557 4.7 15.2 1.0
HB3 A:PHE605 4.7 12.2 1.0
CD A:LYS511 4.8 18.5 1.0
CB A:LYS511 4.9 13.0 1.0
CD1 A:PHE605 4.9 15.4 1.0
CG1 A:VAL498 4.9 14.8 1.0
CB A:ALA509 4.9 16.0 1.0
HG21 A:VAL498 4.9 11.7 1.0
HD12 A:LEU656 4.9 18.1 1.0
HZ1 A:LYS511 5.0 20.9 1.0

Reference:

J.Eswaran, D.Patnaik, P.Filippakopoulos, F.Wang, R.L.Stein, J.W.Murray, J.M.G.Higgins, S.Knapp. Structure and Functional Characterization of the Atypical Human Kinase Haspin. Proc.Natl.Acad.Sci.Usa V. 106 20198 2009.
ISSN: ISSN 0027-8424
PubMed: 19918057
DOI: 10.1073/PNAS.0901989106
Page generated: Sun Dec 13 19:25:29 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy