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Arsenic in PDB 8t75: Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd)

Enzymatic activity of Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd)

All present enzymatic activity of Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd):
2.7.11.1; 3.6.5.2;

Protein crystallography data

The structure of Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd), PDB code: 8t75 was solved by M.J.Whitley, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.45 / 2.65
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 104.409, 199.509, 113.428, 90, 112.28, 90
R / Rfree (%) 17.8 / 21.9

Other elements in 8t75:

The structure of Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd) also contains other interesting chemical elements:

Zinc (Zn) 8 atoms
Magnesium (Mg) 4 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd) (pdb code 8t75). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd), PDB code: 8t75:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 8t75

Go back to Arsenic Binding Sites List in 8t75
Arsenic binding site 1 out of 4 in the Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd)


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 KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As95

b:134.9
occ:1.00
 AS B:CAF95 0.0 134.9 1.0
O1 B:CAF95 1.8 119.6 1.0
CE2 B:CAF95 2.0 85.0 1.0
CE1 B:CAF95 2.0 82.7 1.0
SG B:CAF95 2.2 91.2 1.0
CB B:CAF95 3.3 58.6 1.0
CG1 F:VAL185 4.0 66.0 1.0
CA B:CAF95 4.3 72.5 1.0
CD1 B:LEU136 4.6 58.8 1.0
CD B:PRO135 4.8 47.2 1.0
N B:CAF95 4.9 73.7 1.0
CG B:LEU136 4.9 58.4 1.0

Arsenic binding site 2 out of 4 in 8t75

Go back to Arsenic Binding Sites List in 8t75
Arsenic binding site 2 out of 4 in the Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd)


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 KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:As95

b:128.6
occ:1.00
 AS D:CAF95 0.0 128.6 1.0
O1 D:CAF95 1.8 109.0 1.0
CE2 D:CAF95 2.0 87.2 1.0
CE1 D:CAF95 2.0 93.3 1.0
SG D:CAF95 2.2 94.4 1.0
CB D:CAF95 3.3 66.6 1.0
CA D:CAF95 4.3 67.8 1.0
CD1 D:LEU136 4.4 66.5 1.0
CD D:PRO135 4.5 53.4 1.0
CG D:LEU136 4.5 59.8 1.0
CB D:VAL134 4.6 56.8 1.0
CG1 D:VAL134 4.8 54.7 1.0
N D:CAF95 5.0 58.6 1.0

Arsenic binding site 3 out of 4 in 8t75

Go back to Arsenic Binding Sites List in 8t75
Arsenic binding site 3 out of 4 in the Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd)


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 KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:As95

b:127.9
occ:1.00
 AS F:CAF95 0.0 127.9 1.0
O1 F:CAF95 1.8 118.9 1.0
CE2 F:CAF95 2.0 100.2 1.0
CE1 F:CAF95 2.0 95.5 1.0
SG F:CAF95 2.2 80.3 1.0
CB F:CAF95 3.3 64.4 1.0
CD1 F:LEU136 4.1 59.2 1.0
CA F:CAF95 4.3 62.4 1.0
CG1 B:VAL185 4.3 64.5 1.0
CG F:LEU136 4.4 70.0 1.0
CD F:PRO135 4.5 43.4 1.0
CB F:VAL134 4.8 48.8 1.0
N F:CAF95 4.9 59.4 1.0
CG1 F:VAL134 4.9 51.1 1.0
CD2 F:LEU136 5.0 76.0 1.0

Arsenic binding site 4 out of 4 in 8t75

Go back to Arsenic Binding Sites List in 8t75
Arsenic binding site 4 out of 4 in the Crystal Structure of KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd)


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 KRAS4A (Gmppnp) in Complex with RAF1 (Rbd-Crd) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:As95

b:128.6
occ:1.00
 AS H:CAF95 0.0 128.6 1.0
O1 H:CAF95 1.8 134.2 1.0
CE2 H:CAF95 2.0 85.8 1.0
CE1 H:CAF95 2.0 107.6 1.0
SG H:CAF95 2.2 90.0 1.0
CB H:CAF95 3.3 77.2 1.0
CA H:CAF95 4.3 70.4 1.0
CD H:PRO135 4.6 47.4 1.0
N H:CAF95 4.8 65.5 1.0
CB H:VAL134 4.9 49.6 1.0
CD1 H:LEU136 5.0 64.5 1.0
CG H:PRO135 5.0 68.6 1.0

Reference:

M.J.Whitley, T.H.Tran, M.Yi, S.Dharmaiah, G.Cornilescu, D.K.Simanshu. Comparative Analysis of KRAS4A and KRAS4B Splice Variants Reveals Distinctive Structural and Functional Properties Sci Adv 2024.
ISSN: ESSN 2375-2548
DOI: 10.1126/SCIADV.ADJ4137
Page generated: Wed Jul 10 14:06:37 2024

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