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Arsenic in PDB 5dbx: Crystal Structure of Murine Spak(T243D) in Complex with Amppnp

Enzymatic activity of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp

All present enzymatic activity of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp, PDB code: 5dbx was solved by Y.-C.Juang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.33 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.442, 101.736, 104.077, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 24.6

Other elements in 5dbx:

The structure of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp (pdb code 5dbx). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 8 binding sites of Arsenic where determined in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp, PDB code: 5dbx:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Arsenic binding site 1 out of 8 in 5dbx

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Arsenic binding site 1 out of 8 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As71

b:0.9
occ:1.00
 AS A:CAS71 0.0 0.9 1.0
CE1 A:CAS71 2.0 60.2 1.0
CE2 A:CAS71 2.0 92.1 1.0
SG A:CAS71 2.2 0.7 1.0
CB A:CAS71 3.1 46.6 1.0
CA A:CAS71 3.7 55.3 1.0
N A:CAS71 4.3 51.2 1.0
O A:ILE70 4.6 66.9 1.0
C A:ILE70 4.7 57.9 1.0
C A:CAS71 4.9 59.2 1.0

Arsenic binding site 2 out of 8 in 5dbx

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Arsenic binding site 2 out of 8 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As128

b:1.0
occ:1.00
 AS A:CAS128 0.0 1.0 1.0
CE1 A:CAS128 1.9 0.0 1.0
CE2 A:CAS128 1.9 87.2 1.0
SG A:CAS128 2.3 0.1 1.0
CB A:CAS128 3.3 61.1 1.0
CA A:CAS128 4.0 71.0 1.0
CB A:ASN198 4.2 63.0 1.0
OH A:TYR194 4.3 65.4 1.0
CG A:ASN198 4.6 71.3 1.0
N A:CAS128 4.7 78.1 1.0
OD1 A:ASN198 4.7 80.6 1.0
CE A:MET125 4.7 0.6 1.0
CG A:GLN200 4.7 66.0 1.0
CE2 A:TYR194 4.8 56.8 1.0
CZ A:TYR194 4.9 63.5 1.0

Arsenic binding site 3 out of 8 in 5dbx

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Arsenic binding site 3 out of 8 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As249

b:0.0
occ:1.00
 AS A:CAS249 0.0 0.0 1.0
CE1 A:CAS249 2.0 65.8 1.0
CE2 A:CAS249 2.0 75.4 1.0
SG A:CAS249 2.2 85.4 1.0
CB A:CAS249 3.1 55.4 1.0
N A:CAS249 3.6 54.2 1.0
CA A:CAS249 3.9 52.4 1.0
CZ3 A:TRP250 4.5 64.4 1.0
C A:PRO248 4.7 58.6 1.0
CG2 B:VAL293 4.7 45.6 1.0
CB A:PRO248 4.8 58.4 1.0
O B:TYR288 4.9 60.5 1.0
CA B:HIS286 4.9 53.1 1.0

Arsenic binding site 4 out of 8 in 5dbx

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Arsenic binding site 4 out of 8 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As346

b:0.2
occ:1.00
 AS A:CAS346 0.0 0.2 1.0
CE1 A:CAS346 2.0 95.6 1.0
CE2 A:CAS346 2.0 0.8 1.0
SG A:CAS346 2.2 0.6 1.0
CB A:CAS346 2.8 62.3 1.0
CA A:CAS346 3.4 73.2 1.0
N A:LYS347 3.8 75.2 1.0
C A:CAS346 4.0 81.2 1.0
N A:CAS346 4.6 67.9 1.0
CG A:LYS324 4.6 76.8 1.0
N A:PHE348 4.7 76.4 1.0
O A:SER321 4.8 66.4 1.0
CG A:LYS347 5.0 85.0 1.0

Arsenic binding site 5 out of 8 in 5dbx

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Arsenic binding site 5 out of 8 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As71

b:90.8
occ:1.00
 AS B:CAS71 0.0 90.8 1.0
CE1 B:CAS71 1.9 0.1 1.0
CE2 B:CAS71 1.9 62.8 1.0
SG B:CAS71 2.3 77.9 1.0
CB B:CAS71 3.3 68.5 1.0
CA B:CAS71 3.9 53.6 1.0
N B:CAS71 4.4 52.3 1.0
O B:ILE70 4.8 76.3 1.0
C B:ILE70 4.9 60.0 1.0

Arsenic binding site 6 out of 8 in 5dbx

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Arsenic binding site 6 out of 8 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As128

b:0.5
occ:1.00
 AS B:CAS128 0.0 0.5 1.0
CE1 B:CAS128 1.9 0.3 1.0
CE2 B:CAS128 1.9 0.5 1.0
SG B:CAS128 2.3 0.9 1.0
CB B:CAS128 3.3 90.9 1.0
CB B:ASN198 3.4 47.8 1.0
CG B:ASN198 4.1 62.4 1.0
CG B:GLN200 4.2 66.0 1.0
O B:ASN198 4.3 57.8 1.0
CA B:CAS128 4.5 92.3 1.0
OD1 B:ASN198 4.5 83.2 1.0
CA B:ASN198 4.7 58.9 1.0
C B:ASN198 4.8 49.5 1.0
ND2 B:ASN198 4.8 59.9 1.0
O B:MET125 4.8 0.5 1.0
OH B:TYR194 4.9 67.2 1.0
N B:CAS128 4.9 92.5 1.0
CE2 B:TYR194 4.9 56.3 1.0

Arsenic binding site 7 out of 8 in 5dbx

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Arsenic binding site 7 out of 8 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 7 of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As249

b:93.8
occ:1.00
 AS B:CAS249 0.0 93.8 1.0
CE1 B:CAS249 2.0 71.5 1.0
CE2 B:CAS249 2.0 50.2 1.0
SG B:CAS249 2.2 0.5 1.0
CB B:CAS249 2.8 60.6 1.0
N B:CAS249 3.5 50.7 1.0
CA B:CAS249 3.6 52.3 1.0
CG B:PRO248 4.3 78.1 1.0
CZ3 B:TRP250 4.4 55.6 1.0
CB B:PRO248 4.4 75.6 1.0
C B:PRO248 4.5 53.3 1.0
CA A:HIS286 4.5 39.9 1.0
CG2 A:VAL293 4.8 42.4 1.0
CE3 B:TRP250 4.9 65.0 1.0
C B:CAS249 5.0 44.5 1.0

Arsenic binding site 8 out of 8 in 5dbx

Go back to Arsenic Binding Sites List in 5dbx
Arsenic binding site 8 out of 8 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 8 of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As346

b:0.9
occ:1.00
 AS B:CAS346 0.0 0.9 1.0
CE1 B:CAS346 1.9 0.8 1.0
CE2 B:CAS346 1.9 56.8 1.0
SG B:CAS346 2.3 0.9 1.0
CB B:CAS346 3.3 53.7 1.0
CA B:CAS346 3.8 65.1 1.0
N B:LYS347 3.9 86.6 1.0
CG B:LYS324 4.3 83.3 1.0
C B:CAS346 4.4 73.0 1.0
NZ B:LYS324 4.6 0.7 1.0
O B:SER321 4.6 59.6 1.0
OG B:SER321 4.8 86.8 1.0
CG B:LYS347 4.8 91.5 1.0
CD1 B:LEU328 4.9 76.8 1.0
CB B:LYS347 5.0 88.7 1.0

Reference:

C.A.Taylor, Y.C.Juang, S.Earnest, S.Sengupta, E.J.Goldsmith, M.H.Cobb. Domain-Swapping Switch Point in STE20 Protein Kinase Spak. Biochemistry V. 54 5063 2015.
ISSN: ISSN 0006-2960
PubMed: 26208601
DOI: 10.1021/ACS.BIOCHEM.5B00593
Page generated: Wed Jul 10 12:46:47 2024

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