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Arsenic in PDB 6unp: Crystal Structure of the Kinase Domain of BMPR2-D485G

Enzymatic activity of Crystal Structure of the Kinase Domain of BMPR2-D485G

All present enzymatic activity of Crystal Structure of the Kinase Domain of BMPR2-D485G:
2.7.11.30;

Protein crystallography data

The structure of Crystal Structure of the Kinase Domain of BMPR2-D485G, PDB code: 6unp was solved by C.Agnew, N.Jura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.99 / 2.30
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 138.497, 138.497, 109.992, 90, 90, 120
R / Rfree (%) 18.9 / 21.1

Other elements in 6unp:

The structure of Crystal Structure of the Kinase Domain of BMPR2-D485G also contains other interesting chemical elements:

Magnesium (Mg) 18 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of the Kinase Domain of BMPR2-D485G (pdb code 6unp). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 7 binding sites of Arsenic where determined in the Crystal Structure of the Kinase Domain of BMPR2-D485G, PDB code: 6unp:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7;

Arsenic binding site 1 out of 7 in 6unp

Go back to Arsenic Binding Sites List in 6unp
Arsenic binding site 1 out of 7 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


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 the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As288

b:65.9
occ:1.00
 AS A:CAS288 0.0 65.9 1.0
SG A:CAS288 2.3 52.0 1.0
CB A:CAS288 3.2 46.5 1.0
N A:LYS289 3.4 38.3 1.0
C A:CAS288 3.5 43.3 1.0
CA A:LYS289 3.9 38.8 1.0
CA A:CAS288 4.0 45.3 1.0
O A:CAS288 4.0 48.4 1.0
OG A:SER286 4.4 38.7 1.0
CB A:LYS289 4.4 40.0 1.0
CG A:ARG337 4.7 47.2 1.0

Arsenic binding site 2 out of 7 in 6unp

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Arsenic binding site 2 out of 7 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


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 the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As397

b:92.9
occ:1.00
 AS A:CAS397 0.0 92.9 1.0
SG A:CAS397 2.2 93.5 1.0
CB A:CAS397 3.2 84.2 1.0
C A:CAS397 3.9 71.6 1.0
N A:GLU398 4.0 50.6 1.0
CD2 A:LEU358 4.1 43.0 1.0
CA A:CAS397 4.1 78.8 1.0
O A:CAS397 4.3 67.3 1.0
O A:VAL364 4.3 106.6 1.0
CA A:LEU358 4.4 48.5 1.0
O A:LEU358 4.4 51.6 1.0
CD1 A:LEU401 4.4 53.2 1.0
O A:ARG357 4.5 48.4 1.0
CA A:GLU398 4.6 51.1 1.0
CB A:LEU358 4.7 49.1 1.0
CE A:MET356 4.8 76.1 1.0
C A:LEU358 4.9 48.3 1.0

Arsenic binding site 3 out of 7 in 6unp

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Arsenic binding site 3 out of 7 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


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 the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As496

b:138.9
occ:1.00
 AS A:CAS496 0.0 138.9 1.0
SG A:CAS496 2.3 79.7 1.0
CB A:CAS496 3.1 73.9 1.0
OG1 A:THR493 3.5 51.0 1.0
N A:THR493 3.7 50.4 1.0
CG2 A:THR493 4.1 47.0 1.0
CB A:THR493 4.2 49.1 1.0
CD2 A:LEU492 4.2 61.1 1.0
CA A:LEU492 4.4 51.5 1.0
CA A:CAS496 4.5 63.4 1.0
C A:LEU492 4.5 53.6 1.0
CA A:THR493 4.5 47.3 1.0
N A:CAS496 4.8 59.8 1.0
CB A:LEU492 4.9 53.1 1.0

Arsenic binding site 4 out of 7 in 6unp

Go back to Arsenic Binding Sites List in 6unp
Arsenic binding site 4 out of 7 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


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 the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As288

b:72.6
occ:1.00
 AS B:CAS288 0.0 72.6 1.0
SG B:CAS288 2.3 56.4 1.0
CB B:CAS288 3.3 50.8 1.0
C B:CAS288 3.5 51.2 1.0
N B:LYS289 3.6 41.4 1.0
O B:CAS288 3.8 51.1 1.0
CA B:CAS288 4.0 51.4 1.0
CA B:LYS289 4.0 41.0 1.0
O B:HOH734 4.0 39.9 1.0
O B:HOH754 4.3 51.6 1.0
OG B:SER286 4.4 40.8 1.0
CB B:LYS289 4.6 43.2 1.0
CG B:ARG337 4.6 47.6 1.0

Arsenic binding site 5 out of 7 in 6unp

Go back to Arsenic Binding Sites List in 6unp
Arsenic binding site 5 out of 7 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


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 the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As397

b:98.8
occ:1.00
 AS B:CAS397 0.0 98.8 1.0
SG B:CAS397 2.2 106.9 1.0
CB B:CAS397 3.2 96.5 1.0
O B:VAL364 4.3 101.5 1.0
C B:CAS397 4.3 79.2 1.0
CD1 B:LEU401 4.3 56.1 1.0
CA B:CAS397 4.4 85.5 1.0
CD2 B:LEU358 4.5 47.3 1.0
N B:GLU398 4.5 57.5 1.0
O B:CAS397 4.6 80.1 1.0
O B:ARG357 4.9 50.9 1.0
CA B:LEU358 4.9 45.2 1.0

Arsenic binding site 6 out of 7 in 6unp

Go back to Arsenic Binding Sites List in 6unp
Arsenic binding site 6 out of 7 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


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 the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As496

b:76.0
occ:0.36
 AS B:CAS496 0.0 76.0 0.4
SG B:CAS496 2.2 71.0 0.4
SG B:CAS496 2.8 71.5 0.6
N B:THR493 3.3 58.9 1.0
CB B:CAS496 3.3 67.2 0.4
CB B:CAS496 3.3 66.5 0.6
OG1 B:THR493 3.5 66.4 1.0
CG2 B:THR493 3.6 64.1 1.0
CA B:LEU492 3.9 62.4 1.0
CB B:THR493 4.0 63.2 1.0
C B:LEU492 4.0 63.3 1.0
CA B:THR493 4.2 58.8 1.0
CD2 B:LEU492 4.3 63.0 1.0
O B:ARG491 4.4 62.5 1.0
CB B:LEU492 4.7 63.5 1.0
CA B:CAS496 4.7 65.5 0.4
CA B:CAS496 4.8 65.4 0.6
N B:LEU492 4.9 62.8 1.0
AS B:CAS496 4.9 116.7 0.6

Arsenic binding site 7 out of 7 in 6unp

Go back to Arsenic Binding Sites List in 6unp
Arsenic binding site 7 out of 7 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


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 the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As496

b:116.7
occ:0.64
 AS B:CAS496 0.0 116.7 0.6
SG B:CAS496 2.2 71.5 0.6
SG B:CAS496 3.0 71.0 0.4
CB B:CAS496 3.3 66.5 0.6
CA B:CAS496 3.4 65.4 0.6
CA B:CAS496 3.4 65.5 0.4
CB B:CAS496 3.6 67.2 0.4
OE1 B:GLU499 3.7 94.3 1.0
OE2 B:GLU499 3.9 94.1 1.0
CD B:GLU499 4.0 93.2 1.0
N B:CAS496 4.2 66.0 1.0
C B:CAS496 4.6 63.2 1.0
O B:CAS496 4.7 62.0 1.0
C B:GLN495 4.9 68.3 1.0
AS B:CAS496 4.9 76.0 0.4

Reference:

C.Agnew, N.Jura. Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein II (BMPR2) with Mutation D485G at 2.3 A Resolution To Be Published.
Page generated: Wed Jul 10 13:30:21 2024

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