Atomistry » Chlorine » PDB 5n75-5ncw » 5nc2
Atomistry »
  Chlorine »
    PDB 5n75-5ncw »
      5nc2 »

Chlorine in PDB 5nc2: Enah EVH1 in Complex with Ac-[2-Cl-F]-Pppptedel-NH2

Protein crystallography data

The structure of Enah EVH1 in Complex with Ac-[2-Cl-F]-Pppptedel-NH2, PDB code: 5nc2 was solved by M.Barone, Y.Roske, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.10 / 1.58
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 147.781, 44.024, 34.667, 90.00, 102.13, 90.00
R / Rfree (%) 19.9 / 24.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Enah EVH1 in Complex with Ac-[2-Cl-F]-Pppptedel-NH2 (pdb code 5nc2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Enah EVH1 in Complex with Ac-[2-Cl-F]-Pppptedel-NH2, PDB code: 5nc2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5nc2

Go back to Chlorine Binding Sites List in 5nc2
Chlorine binding site 1 out of 2 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-Pppptedel-NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Enah EVH1 in Complex with Ac-[2-Cl-F]-Pppptedel-NH2 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl2

b:20.5
occ:1.00
CL I:2L52 0.0 20.5 1.0
C15 I:2L52 1.7 12.8 1.0
C19 I:2L52 2.7 12.7 1.0
C14 I:2L52 2.7 10.4 1.0
C13 I:2L52 3.1 13.3 1.0
C12 I:2L52 3.5 13.9 1.0
CG1 A:VAL86 3.7 19.3 1.0
CG A:GLN79 3.8 18.1 1.0
NE2 A:GLN79 3.9 21.4 1.0
O I:ACE1 3.9 27.0 1.0
C A:TRP80 3.9 14.8 1.0
CD A:GLN79 4.0 19.1 1.0
C18 I:2L52 4.0 15.5 1.0
CD I:PRO3 4.0 16.7 1.0
O A:TRP80 4.0 16.6 1.0
CA A:TRP80 4.0 14.2 1.0
N A:TRP80 4.1 13.7 1.0
C16 I:2L52 4.1 17.2 1.0
CB A:GLN79 4.2 17.6 1.0
CG A:ARG81 4.2 22.2 0.5
C A:GLN79 4.4 13.1 1.0
N A:ARG81 4.4 20.3 0.5
N A:ARG81 4.4 20.2 0.5
NE A:ARG81 4.5 20.8 0.5
CB A:ARG81 4.5 19.7 0.5
N4 I:2L52 4.5 21.2 1.0
CB A:ARG81 4.5 18.8 0.5
C17 I:2L52 4.5 16.2 1.0
C11 I:2L52 4.6 16.8 1.0
C I:ACE1 4.6 24.2 1.0
CG2 A:VAL86 4.6 15.3 1.0
N I:PRO3 4.6 19.2 1.0
OE1 A:GLN79 4.6 24.0 1.0
O A:GLN79 4.6 12.0 1.0
CD A:ARG81 4.7 23.2 0.5
CB A:VAL86 4.8 13.1 1.0
NH1 A:ARG81 4.8 16.4 0.5
CA A:GLN79 5.0 14.4 1.0
CA A:ARG81 5.0 18.6 0.5
CA A:ARG81 5.0 18.8 0.5

Chlorine binding site 2 out of 2 in 5nc2

Go back to Chlorine Binding Sites List in 5nc2
Chlorine binding site 2 out of 2 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-Pppptedel-NH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Enah EVH1 in Complex with Ac-[2-Cl-F]-Pppptedel-NH2 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl2

b:21.3
occ:1.00
CL J:2L52 0.0 21.3 1.0
C15 J:2L52 1.7 13.1 1.0
C19 J:2L52 2.7 13.0 1.0
C14 J:2L52 2.7 11.7 1.0
C13 J:2L52 3.1 13.4 1.0
C12 J:2L52 3.5 15.0 1.0
CG B:ARG81 3.6 20.9 0.4
CG1 B:VAL86 3.7 16.7 1.0
CG B:GLN79 3.7 18.8 1.0
NE2 B:GLN79 3.9 18.9 1.0
CD J:PRO3 3.9 22.9 1.0
CD B:GLN79 3.9 23.2 1.0
C B:TRP80 4.0 14.1 1.0
C18 J:2L52 4.0 16.1 1.0
O J:ACE1 4.0 28.4 1.0
C16 J:2L52 4.0 14.9 1.0
O B:TRP80 4.0 12.1 1.0
CD B:ARG81 4.1 22.5 0.4
N B:TRP80 4.1 14.9 1.0
CA B:TRP80 4.1 13.5 1.0
CB B:GLN79 4.2 15.9 1.0
NE B:ARG81 4.2 21.5 0.4
CB B:ARG81 4.3 21.1 0.4
N B:ARG81 4.4 17.9 0.4
C B:GLN79 4.4 11.4 1.0
N B:ARG81 4.4 17.9 0.6
C17 J:2L52 4.5 15.4 1.0
CB B:ARG81 4.5 21.1 0.6
N4 J:2L52 4.6 20.0 1.0
C11 J:2L52 4.6 23.4 1.0
N J:PRO3 4.6 23.3 1.0
O B:GLN79 4.7 12.5 1.0
OE1 B:GLN79 4.7 26.4 1.0
CD B:ARG81 4.7 23.3 0.6
C J:ACE1 4.7 23.5 1.0
NH2 B:ARG81 4.7 18.5 0.6
CB B:VAL86 4.9 14.2 1.0
CG2 B:VAL86 4.9 12.2 1.0
CA B:ARG81 4.9 17.2 0.4
CA B:GLN79 4.9 14.1 1.0

Reference:

M.Barone, M.Muller, R.Opitz, Y.Roske, A.Soicke, S.Chiha, S.Klein, H.G.Schmalz, R.Kuhne. Ena/Vasp As Possible Antimetastatic Target Addressed By Structure-Optimized Prom Scaffolds To Be Published.
Page generated: Fri Jul 26 13:24:43 2024

Last articles

Ba in 3IQR
Ba in 3IQP
Ba in 3LR4
Ba in 3F2W
Ba in 3IQN
Ba in 3GOM
Ba in 3GOJ
Ba in 2YN6
Ba in 3FQB
Ba in 3E8F
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy