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Zinc in PDB 4y94: Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate

Enzymatic activity of Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate

All present enzymatic activity of Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate, PDB code: 4y94 was solved by Q.Wang, J.Kuriyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.48 / 2.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 37.203, 64.012, 80.029, 82.08, 88.79, 89.89
R / Rfree (%) 22.9 / 25.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate (pdb code 4y94). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate, PDB code: 4y94:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 4y94

Go back to Zinc Binding Sites List in 4y94
Zinc binding site 1 out of 4 in the Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn202

b:54.9
occ:1.00
 ND1 B:HIS143 2.1 55.9 1.0
SG B:CYS154 2.4 55.0 1.0
SG B:CYS165 2.4 52.8 1.0
SG B:CYS155 2.5 59.9 1.0
CE1 B:HIS143 3.0 54.8 1.0
CG B:HIS143 3.2 53.8 1.0
CB B:CYS165 3.2 68.9 1.0
CB B:CYS155 3.3 54.7 1.0
CB B:CYS154 3.5 65.4 1.0
CB B:HIS143 3.6 44.2 1.0
N B:CYS155 3.8 60.3 1.0
C B:CYS154 3.9 62.3 1.0
CA B:HIS143 4.0 55.6 1.0
N B:CYS165 4.0 64.7 1.0
CB B:TYR152 4.2 64.2 1.0
CA B:CYS155 4.2 55.3 1.0
NE2 B:HIS143 4.2 60.5 1.0
CA B:CYS154 4.2 55.6 1.0
CA B:CYS165 4.3 60.9 1.0
CD2 B:HIS143 4.3 56.7 1.0
CD B:PRO144 4.5 58.9 1.0
O B:CYS154 4.5 60.5 1.0
CG B:TYR152 4.5 60.7 1.0
N B:CYS154 4.7 56.4 1.0
O B:TYR142 4.9 50.7 1.0
CD2 B:TYR152 4.9 54.0 1.0
NE2 B:GLN157 4.9 68.3 1.0
C B:GLY164 4.9 54.6 1.0
C B:HIS143 5.0 53.7 1.0
N B:HIS143 5.0 60.8 1.0

Zinc binding site 2 out of 4 in 4y94

Go back to Zinc Binding Sites List in 4y94
Zinc binding site 2 out of 4 in the Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn202

b:49.1
occ:1.00
 SG C:CYS165 2.3 47.0 1.0
SG C:CYS155 2.3 59.2 1.0
ND1 C:HIS143 2.3 53.2 1.0
SG C:CYS154 2.4 54.9 1.0
CB C:CYS165 3.2 63.7 1.0
CB C:CYS155 3.2 60.9 1.0
CE1 C:HIS143 3.2 54.6 1.0
CG C:HIS143 3.4 52.0 1.0
CB C:CYS154 3.5 49.1 1.0
N C:CYS155 3.7 56.1 1.0
CB C:HIS143 3.8 35.8 1.0
C C:CYS154 3.9 56.0 1.0
N C:CYS165 3.9 58.7 1.0
CA C:HIS143 4.0 40.8 1.0
CA C:CYS155 4.1 53.4 1.0
CB C:TYR152 4.1 54.4 1.0
CA C:CYS154 4.2 51.0 1.0
CA C:CYS165 4.2 54.0 1.0
NE2 C:HIS143 4.4 51.0 1.0
O C:CYS154 4.4 55.2 1.0
CD C:PRO144 4.4 44.1 1.0
CG C:TYR152 4.5 54.2 1.0
CD2 C:HIS143 4.5 46.5 1.0
N C:CYS154 4.6 44.7 1.0
O C:TYR142 4.8 50.7 1.0
C C:GLY164 4.9 56.6 1.0
NE2 C:GLN157 4.9 73.7 1.0
CD2 C:TYR152 4.9 48.9 1.0
N C:HIS143 5.0 50.4 1.0
C C:HIS143 5.0 48.0 1.0

Zinc binding site 3 out of 4 in 4y94

Go back to Zinc Binding Sites List in 4y94
Zinc binding site 3 out of 4 in the Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn503

b:59.9
occ:1.00
 SG A:CYS165 2.2 65.3 1.0
ND1 A:HIS143 2.3 67.1 1.0
SG A:CYS155 2.3 80.5 1.0
SG A:CYS154 2.6 59.0 1.0
CE1 A:HIS143 3.1 70.2 1.0
CB A:CYS155 3.2 70.0 1.0
CG A:HIS143 3.3 64.3 1.0
CB A:CYS154 3.6 60.8 1.0
N A:CYS155 3.7 70.5 1.0
CB A:CYS165 3.7 63.1 1.0
CB A:HIS143 3.7 60.6 1.0
C A:CYS154 3.9 65.5 1.0
CB A:TYR152 3.9 63.9 1.0
CA A:CYS155 4.0 68.2 1.0
CA A:HIS143 4.0 62.9 1.0
CA A:CYS154 4.2 65.9 1.0
N A:CYS165 4.2 68.8 1.0
NE2 A:HIS143 4.3 68.5 1.0
CG A:TYR152 4.3 66.9 1.0
CD2 A:HIS143 4.4 65.6 1.0
O A:CYS154 4.4 64.8 1.0
CA A:CYS165 4.6 73.4 1.0
N A:CYS154 4.6 60.8 1.0
CD2 A:TYR152 4.7 67.8 1.0
CD A:PRO144 4.8 62.9 1.0
O A:TYR142 4.9 66.3 1.0
CD1 A:TYR152 4.9 65.1 1.0
N A:HIS143 5.0 62.2 1.0

Zinc binding site 4 out of 4 in 4y94

Go back to Zinc Binding Sites List in 4y94
Zinc binding site 4 out of 4 in the Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the pH-Th Module of Bruton'S Tyrosine Kinase Bound to Inositol Hexakisphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn203

b:86.7
occ:1.00
 SG D:CYS155 2.5 99.6 1.0
SG D:CYS154 2.5 69.2 1.0
SG D:CYS165 2.5 81.8 1.0
ND1 D:HIS143 2.5 86.5 1.0
CB D:CYS155 3.1 88.7 1.0
CB D:CYS165 3.1 86.1 1.0
CE1 D:HIS143 3.2 83.1 1.0
CB D:CYS154 3.3 85.2 1.0
N D:CYS155 3.6 94.0 1.0
CG D:HIS143 3.7 81.9 1.0
C D:CYS154 3.7 89.5 1.0
N D:CYS165 3.9 79.7 1.0
CA D:CYS155 4.0 88.6 1.0
CA D:CYS154 4.1 85.8 1.0
CB D:HIS143 4.1 68.4 1.0
O D:CYS154 4.1 92.0 1.0
CA D:CYS165 4.1 84.1 1.0
CA D:HIS143 4.3 69.4 1.0
NE2 D:HIS143 4.4 85.2 1.0
CB D:TYR152 4.5 85.2 1.0
CD D:PRO144 4.6 66.8 1.0
N D:CYS154 4.6 84.5 1.0
CD2 D:HIS143 4.7 88.9 1.0
C D:GLY164 4.7 81.8 1.0
O D:TYR142 4.8 76.7 1.0
CG D:TYR152 4.9 85.3 1.0

Reference:

Q.Wang, E.M.Vogan, L.M.Nocka, C.E.Rosen, J.A.Zorn, S.C.Harrison, J.Kuriyan. Autoinhibition of Bruton'S Tyrosine Kinase (Btk) and Activation By Soluble Inositol Hexakisphosphate. Elife V. 4 2015.
ISSN: ESSN 2050-084X
PubMed: 25699547
DOI: 10.7554/ELIFE.06074
Page generated: Sun Oct 27 11:02:11 2024

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