Chlorine in PDB 5ncp: Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh

Protein crystallography data

The structure of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh, PDB code: 5ncp 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) 42.14 / 1.65
Space group C 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 44.141, 141.367, 34.706, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 20.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh (pdb code 5ncp). 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 Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh, PDB code: 5ncp:

Chlorine binding site 1 out of 1 in 5ncp

Go back to Chlorine Binding Sites List in 5ncp
Chlorine binding site 1 out of 1 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh


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]-[Prom-2]-[Prom-12]-Oh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:29.1
occ:1.00
CL A:EG5201 0.0 29.1 1.0
C15 A:EG5201 1.8 24.2 1.0
H7 A:EG5201 2.7 35.5 1.0
C19 A:EG5201 2.7 19.5 1.0
C14 A:EG5201 2.8 18.4 1.0
H6 A:EG5201 2.8 26.8 1.0
H1 A:EG5201 2.8 23.5 1.0
HG3 A:ARG81 2.9 54.4 1.0
HG13 A:VAL86 2.9 32.8 1.0
HG2 A:ARG81 3.0 54.4 1.0
HB2 A:GLN79 3.1 28.4 1.0
C13 A:EG5201 3.1 22.3 1.0
HG3 A:GLN79 3.1 44.8 1.0
H12 A:EG5201 3.3 28.5 1.0
C12 A:EG5201 3.4 29.6 1.0
CG A:ARG81 3.4 45.3 1.0
HG11 A:VAL86 3.5 32.8 1.0
HE22 A:GLN79 3.5 80.6 1.0
HA A:TRP80 3.5 22.3 1.0
CG1 A:VAL86 3.6 27.3 1.0
HD3 A:ARG81 3.7 64.7 1.0
CG A:GLN79 3.8 37.3 1.0
CB A:GLN79 3.8 23.7 1.0
NE2 A:GLN79 3.9 67.2 1.0
C A:TRP80 4.0 22.3 1.0
N A:TRP80 4.0 18.2 1.0
HG12 A:VAL86 4.0 32.8 1.0
CA A:TRP80 4.0 18.6 1.0
C18 A:EG5201 4.0 22.6 1.0
CD A:GLN79 4.1 45.8 1.0
C16 A:EG5201 4.1 22.9 1.0
CD A:ARG81 4.1 53.9 1.0
H A:TRP80 4.2 21.8 1.0
H5 A:EG5201 4.2 26.8 1.0
O A:TRP80 4.2 21.4 1.0
O5 A:EG5201 4.2 66.7 1.0
C A:GLN79 4.2 22.5 1.0
C30 A:EG5201 4.3 23.7 1.0
N A:ARG81 4.4 24.8 1.0
N4 A:EG5201 4.4 50.4 1.0
HE21 A:GLN79 4.4 80.6 1.0
HH11 A:ARG81 4.4 46.7 1.0
C11 A:EG5201 4.5 31.9 1.0
HB3 A:GLN79 4.5 28.4 1.0
C17 A:EG5201 4.5 22.0 1.0
HB3 A:ASN71 4.6 24.6 1.0
O A:GLN79 4.6 19.6 1.0
H A:ARG81 4.6 29.7 1.0
HG2 A:GLN79 4.6 44.8 1.0
C32 A:EG5201 4.7 73.8 1.0
CB A:ARG81 4.7 28.4 1.0
HG22 A:VAL86 4.7 36.8 1.0
CA A:GLN79 4.7 17.2 1.0
N5 A:EG5201 4.7 23.2 1.0
HB2 A:ASN71 4.8 24.6 1.0
HD2 A:ARG81 4.8 64.7 1.0
H2 A:EG5201 4.9 27.1 1.0
CB A:VAL86 4.9 24.8 1.0
NE A:ARG81 4.9 50.1 1.0
OE1 A:GLN79 4.9 38.2 1.0
NH1 A:ARG81 4.9 38.9 1.0
H4 A:EG5201 4.9 27.5 1.0
H13 A:EG5201 4.9 28.5 1.0
CA A:ARG81 4.9 24.7 1.0
HA A:ARG81 5.0 29.7 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: Sat Dec 12 12:09:14 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