Atomistry » Chlorine » PDB 4lqz-4lxb » 4luv
Atomistry »
  Chlorine »
    PDB 4lqz-4lxb »
      4luv »

Chlorine in PDB 4luv: Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions

Protein crystallography data

The structure of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions, PDB code: 4luv was solved by M.D.Feldkamp, A.O.Frank, J.P.Kennedy, A.G.Waterson, E.O.Olejnczak, N.F.Pelz, J.D.Patrone, B.Vangamudi, D.V.Camper, O.W.Rossanese, S.W.Fesik, W.J.Chazin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.03 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.971, 53.528, 54.046, 90.00, 90.00, 90.00
R / Rfree (%) 13.9 / 17

Other elements in 4luv:

The structure of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions also contains other interesting chemical elements:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions (pdb code 4luv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions, PDB code: 4luv:

Chlorine binding site 1 out of 1 in 4luv

Go back to Chlorine Binding Sites List in 4luv
Chlorine binding site 1 out of 1 in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:76.4
occ:1.00
CL1 A:1XS201 0.0 76.4 1.0
C08 A:1XS201 1.7 57.0 1.0
C10 A:1XS201 2.7 52.1 1.0
C09 A:1XS201 2.7 48.6 1.0
H091 A:1XS201 2.8 58.4 1.0
O A:HOH391 2.9 32.4 1.0
F16 A:1XS201 2.9 51.5 1.0
HB3 A:ASN85 3.0 15.5 1.0
HD21 A:ASN85 3.1 35.7 1.0
HB2 A:ASN85 3.5 15.5 1.0
ND2 A:ASN85 3.5 29.8 1.0
CB A:ASN85 3.6 12.9 1.0
HD11 A:ILE95 3.7 31.1 0.6
HD21 A:LEU87 3.8 25.1 1.0
CG A:ASN85 3.9 20.4 1.0
HD23 A:LEU87 3.9 25.1 1.0
C13 A:1XS201 4.0 50.0 1.0
C07 A:1XS201 4.0 42.5 1.0
HD22 A:ASN85 4.1 35.7 1.0
CD2 A:LEU87 4.2 20.9 1.0
HD11 A:ILE95 4.5 16.4 0.5
C12 A:1XS201 4.5 41.6 1.0
HD22 A:LEU87 4.5 25.1 1.0
CD1 A:ILE95 4.6 25.9 0.6
HB A:VAL93 4.7 24.9 1.0
H131 A:1XS201 4.8 60.0 1.0
HD13 A:ILE95 4.8 31.1 0.6
OD1 A:ASN85 4.8 21.4 1.0
H091 A:1DZ202 4.9 53.5 0.8
HD12 A:ILE95 5.0 31.1 0.6

Reference:

A.O.Frank, M.D.Feldkamp, J.P.Kennedy, A.G.Waterson, N.F.Pelz, J.D.Patrone, B.Vangamudi, D.V.Camper, O.W.Rossanese, W.J.Chazin, S.W.Fesik. Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions Using A Fragment-Linking Approach. J.Med.Chem. V. 56 9242 2013.
ISSN: ISSN 0022-2623
PubMed: 24147804
DOI: 10.1021/JM401333U
Page generated: Sat Dec 12 10:53:52 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy