Atomistry » Zirconium » PDB 1xc1-6y7p » 5khp
Atomistry »
  Zirconium »
    PDB 1xc1-6y7p »
      5khp »

Zirconium in PDB 5khp: Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications

Protein crystallography data

The structure of Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications, PDB code: 5khp was solved by P.B.Rupert, R.K.Strong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.65
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.383, 114.383, 117.121, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 22.8

Zirconium Binding Sites:

The binding sites of Zirconium atom in the Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications (pdb code 5khp). This binding sites where shown within 5.0 Angstroms radius around Zirconium atom.
In total 3 binding sites of Zirconium where determined in the Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications, PDB code: 5khp:
Jump to Zirconium binding site number: 1; 2; 3;

Zirconium binding site 1 out of 3 in 5khp

Go back to Zirconium Binding Sites List in 5khp
Zirconium binding site 1 out of 3 in the Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications


Mono view


Stereo pair view

A full contact list of Zirconium with other atoms in the Zr binding site number 1 of Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zr201

b:84.4
occ:1.00
O51 A:7K9202 2.3 79.8 1.0
O50 A:7K9202 3.3 70.5 1.0
C44 A:7K9202 3.4 89.1 1.0
NZ A:LYS125 3.8 39.6 1.0
C45 A:7K9202 3.8 82.7 1.0
OH A:TYR106 3.9 28.4 1.0
NZ A:LYS134 4.1 35.1 1.0
NH1 A:ARG81 4.3 46.7 1.0
NE A:ARG81 4.3 45.4 1.0
CE2 A:TYR106 4.4 26.9 1.0
C43 A:7K9202 4.6 77.8 1.0
CZ A:TYR106 4.7 27.6 1.0
CZ A:ARG81 4.8 44.2 1.0
CE A:LYS134 4.9 30.3 1.0
CE A:LYS125 4.9 35.8 1.0

Zirconium binding site 2 out of 3 in 5khp

Go back to Zirconium Binding Sites List in 5khp
Zirconium binding site 2 out of 3 in the Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications


Mono view


Stereo pair view

A full contact list of Zirconium with other atoms in the Zr binding site number 2 of Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zr300

b:0.9
occ:1.00
O50 B:7K9301 3.1 0.1 1.0
NZ B:LYS134 3.6 92.7 1.0
NZ B:LYS125 3.7 79.7 1.0
O51 B:7K9301 3.9 95.5 1.0
OH B:TYR106 4.1 79.4 1.0
C45 B:7K9301 4.3 0.1 1.0
CE B:LYS134 4.3 92.1 1.0
CE2 B:TYR106 4.4 77.2 1.0
C44 B:7K9301 4.5 0.4 1.0
CZ B:TYR106 4.7 75.2 1.0
CE B:LYS125 4.8 76.5 1.0
NH1 B:ARG81 4.9 88.8 1.0
NE B:ARG81 4.9 92.0 1.0
CD B:LYS125 4.9 76.2 1.0

Zirconium binding site 3 out of 3 in 5khp

Go back to Zirconium Binding Sites List in 5khp
Zirconium binding site 3 out of 3 in the Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications


Mono view


Stereo pair view

A full contact list of Zirconium with other atoms in the Zr binding site number 3 of Tightening the Recognition of Tetravalent Zr and Th Complexes By the Siderophore-Binding Mammalian Protein Siderocalin For Theranostic Applications within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zr201

b:68.6
occ:1.00
O50 C:7K9202 2.3 86.0 1.0
O51 C:7K9202 3.3 74.0 1.0
C45 C:7K9202 3.4 80.3 1.0
C44 C:7K9202 3.8 92.5 1.0
NZ C:LYS125 3.9 31.1 1.0
OH C:TYR106 3.9 33.4 1.0
NZ C:LYS134 4.1 38.4 1.0
NH2 C:ARG81 4.2 45.2 1.0
NE C:ARG81 4.3 37.1 1.0
CE2 C:TYR106 4.3 28.5 1.0
CZ C:TYR106 4.6 30.4 1.0
C40 C:7K9202 4.6 70.0 1.0
CZ C:ARG81 4.7 41.0 1.0
CE C:LYS134 4.9 34.3 1.0
C33 C:7K9202 5.0 66.5 1.0
CE C:LYS125 5.0 29.4 1.0

Reference:

I.Captain, G.J.Deblonde, P.B.Rupert, D.D.An, M.C.Illy, E.Rostan, C.Y.Ralston, R.K.Strong, R.J.Abergel. Engineered Recognition of Tetravalent Zirconium and Thorium By Chelator-Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms. Inorg Chem V. 55 11930 2016.
ISSN: ISSN 1520-510X
PubMed: 27802058
DOI: 10.1021/ACS.INORGCHEM.6B02041
Page generated: Thu Oct 31 15:44:19 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