Chlorine in PDB 8c8d: Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44).

Enzymatic activity of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44).

All present enzymatic activity of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44).:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44)., PDB code: 8c8d was solved by Y.Yosaatmadja, J.A.Newman, H.T.Baddock, M.Bielinski, F.Von Delft, C.Bountra, P.J.Mchugh, C.J.Schofield, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.25 / 1.46
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.58, 57.01, 113.42, 90, 90, 90
R / Rfree (%) 21.1 / 23.3

Other elements in 8c8d:

The structure of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44). also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44). (pdb code 8c8d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44)., PDB code: 8c8d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8c8d

Go back to Chlorine Binding Sites List in 8c8d
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1101

b:65.4
occ:1.00
 CL1 A:U2C1101 0.0 65.4 1.0
C7 A:U2C1101 1.7 56.4 1.0
C6 A:U2C1101 2.7 50.4 1.0
C8 A:U2C1101 2.7 53.9 1.0
OG A:SER735 3.0 44.6 1.0
C3 A:U2C1102 3.5 71.0 1.0
N A:ASP736 3.9 31.1 1.0
C4 A:U2C1102 3.9 68.1 1.0
C9 A:U2C1101 4.0 53.0 1.0
C5 A:U2C1101 4.0 51.2 1.0
CB A:ASP736 4.1 33.6 1.0
CB A:SER735 4.1 35.4 1.0
N3 A:U2C1102 4.1 59.7 1.0
CA A:ASP736 4.2 31.3 1.0
C A:SER735 4.3 28.6 1.0
OD1 A:ASP736 4.5 38.8 1.0
C10 A:U2C1101 4.5 49.5 1.0
CG A:ASP736 4.6 42.1 1.0
C5 A:U2C1102 4.7 63.7 1.0
CA A:SER735 4.7 33.5 1.0
C2 A:U2C1102 4.9 76.7 1.0
O A:SER735 4.9 34.0 1.0
C11 A:U2C1102 5.0 54.7 1.0

Chlorine binding site 2 out of 2 in 8c8d

Go back to Chlorine Binding Sites List in 8c8d
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1102

b:71.6
occ:1.00
 CL1 A:U2C1102 0.0 71.6 1.0
C7 A:U2C1102 1.7 57.8 1.0
C6 A:U2C1102 2.7 59.1 1.0
C8 A:U2C1102 2.7 48.6 1.0
OH A:TYR879 3.0 67.1 1.0
CZ A:TYR879 3.1 66.8 1.0
CE1 A:TYR879 3.2 56.0 1.0
C3 A:U2C1101 3.5 38.7 1.0
C1 A:U2C1101 3.7 31.8 1.0
C2 A:U2C1101 3.8 38.1 1.0
C9 A:U2C1102 4.0 52.7 1.0
CE2 A:TYR879 4.0 68.3 1.0
C5 A:U2C1102 4.0 63.7 1.0
C4 A:U2C1101 4.0 44.4 1.0
CD1 A:TYR879 4.1 49.8 1.0
C16 A:U2C1101 4.1 51.6 1.0
N3 A:U2C1101 4.3 43.6 1.0
O1 A:U2C1101 4.4 54.9 1.0
C10 A:U2C1102 4.5 59.7 1.0
C15 A:U2C1101 4.6 52.5 1.0
CD2 A:TYR879 4.7 67.4 1.0
CG A:TYR879 4.8 60.9 1.0
C5 A:U2C1101 4.8 51.2 1.0
OG A:SER880 4.9 54.0 1.0
C13 A:U2C1101 5.0 53.7 1.0

Reference:

Y.Yosaatmadja, J.A.Newman, H.T.Baddock, M.Bielinski, F.Von Delft, C.Bountra, P.J.Mchugh, C.J.Schofield, O.Gileadi. Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44). To Be Published.
Page generated: Tue Jul 30 07:47:01 2024

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