Chlorine in PDB 7a5m: Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome
Protein crystallography data
The structure of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome, PDB code: 7a5m
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)
|
17.97 /
0.78
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
35.150,
61.360,
88.940,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
11.9 /
14
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome
(pdb code 7a5m). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome, PDB code: 7a5m:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 7a5m
Go back to
Chlorine Binding Sites List in 7a5m
Chlorine binding site 1 out
of 4 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome
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-17]-Ome within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2
b:11.3
occ:0.60
|
CL
|
B:2L52
|
0.0
|
11.3
|
0.6
|
CL
|
B:2L52
|
0.3
|
9.2
|
0.4
|
C15
|
B:2L52
|
1.5
|
9.1
|
0.4
|
C15
|
B:2L52
|
1.7
|
10.9
|
0.6
|
C14
|
B:2L52
|
2.5
|
9.7
|
0.4
|
H6
|
B:2L52
|
2.5
|
13.5
|
0.4
|
H6
|
B:2L52
|
2.5
|
13.6
|
0.6
|
C19
|
B:2L52
|
2.6
|
9.4
|
0.4
|
C14
|
B:2L52
|
2.6
|
11.4
|
0.6
|
C19
|
B:2L52
|
2.7
|
12.1
|
0.6
|
H7
|
B:2L52
|
2.7
|
10.9
|
0.6
|
H1
|
B:2L52
|
2.8
|
11.2
|
0.4
|
H1
|
B:2L52
|
2.9
|
14.5
|
0.6
|
H12
|
B:2L63
|
2.9
|
11.9
|
0.6
|
C13
|
B:2L52
|
2.9
|
11.3
|
0.6
|
C13
|
B:2L52
|
2.9
|
11.2
|
0.4
|
HG11
|
A:VAL86
|
3.0
|
10.7
|
1.0
|
HG3
|
A:GLN79
|
3.0
|
13.3
|
0.4
|
HG3
|
A:GLN79
|
3.0
|
9.3
|
0.6
|
H12
|
B:2L63
|
3.1
|
16.2
|
0.4
|
HG12
|
A:VAL86
|
3.2
|
10.7
|
0.9
|
HG3
|
A:ARG81
|
3.2
|
10.2
|
0.4
|
HG3
|
A:ARG81
|
3.3
|
12.8
|
0.6
|
H7
|
B:2L52
|
3.3
|
14.2
|
0.4
|
C12
|
B:2L52
|
3.3
|
9.1
|
0.6
|
HG2
|
A:ARG81
|
3.3
|
10.2
|
0.4
|
H13
|
B:2L63
|
3.4
|
16.2
|
0.4
|
HG2
|
A:ARG81
|
3.5
|
12.8
|
0.6
|
CG1
|
A:VAL86
|
3.5
|
8.9
|
0.9
|
HA
|
A:TRP80
|
3.6
|
8.6
|
0.7
|
HB2
|
A:GLN79
|
3.7
|
9.6
|
0.6
|
HE21
|
A:GLN79
|
3.7
|
17.3
|
0.4
|
C30
|
B:2L63
|
3.7
|
13.5
|
0.4
|
CG
|
A:ARG81
|
3.7
|
8.5
|
0.4
|
HG23
|
A:VAL86
|
3.8
|
11.6
|
0.9
|
C12
|
B:2L52
|
3.8
|
11.8
|
0.4
|
C16
|
B:2L52
|
3.8
|
10.3
|
0.4
|
CG
|
A:GLN79
|
3.8
|
11.1
|
0.4
|
CG
|
A:GLN79
|
3.8
|
7.8
|
0.6
|
CG
|
A:ARG81
|
3.8
|
10.6
|
0.6
|
HB2
|
A:GLN79
|
3.8
|
10.2
|
0.4
|
C18
|
B:2L52
|
3.8
|
9.8
|
0.4
|
NE2
|
A:GLN79
|
3.9
|
14.4
|
0.4
|
O
|
B:ACY1
|
3.9
|
10.2
|
0.6
|
H5
|
B:2L52
|
3.9
|
13.5
|
0.4
|
HE
|
A:ARG81
|
3.9
|
11.7
|
0.4
|
CD
|
A:GLN79
|
3.9
|
7.5
|
0.6
|
CD
|
A:GLN79
|
3.9
|
14.4
|
0.4
|
C30
|
B:2L63
|
3.9
|
9.9
|
0.6
|
HE21
|
A:GLN79
|
3.9
|
9.6
|
0.6
|
C16
|
B:2L52
|
3.9
|
12.1
|
0.6
|
H5
|
B:2L52
|
4.0
|
13.6
|
0.6
|
C18
|
B:2L52
|
4.0
|
12.0
|
0.6
|
NE2
|
A:GLN79
|
4.0
|
8.0
|
0.6
|
NE
|
A:ARG81
|
4.1
|
9.7
|
0.4
|
C
|
A:TRP80
|
4.1
|
7.3
|
1.0
|
HG13
|
A:VAL86
|
4.1
|
10.7
|
0.9
|
CA
|
A:TRP80
|
4.2
|
7.2
|
1.0
|
N
|
A:TRP80
|
4.2
|
7.1
|
1.0
|
CB
|
A:GLN79
|
4.2
|
8.0
|
0.6
|
N4
|
B:2L52
|
4.2
|
9.0
|
0.6
|
H13
|
B:2L63
|
4.3
|
11.9
|
0.6
|
C17
|
B:2L52
|
4.3
|
9.7
|
0.4
|
HE22
|
A:GLN79
|
4.3
|
17.3
|
0.4
|
HH11
|
A:ARG81
|
4.3
|
10.2
|
0.6
|
N
|
A:ARG81
|
4.3
|
8.1
|
0.6
|
CB
|
A:GLN79
|
4.3
|
8.5
|
0.4
|
O
|
A:TRP80
|
4.4
|
7.9
|
1.0
|
C
|
B:ACY1
|
4.4
|
9.3
|
0.6
|
CZ
|
A:ARG81
|
4.4
|
9.7
|
0.4
|
C11
|
B:2L52
|
4.4
|
10.2
|
0.6
|
C
|
A:GLN79
|
4.4
|
7.4
|
1.0
|
CG2
|
A:VAL86
|
4.4
|
9.7
|
1.0
|
HE22
|
A:GLN79
|
4.5
|
9.6
|
0.6
|
C17
|
B:2L52
|
4.5
|
12.5
|
0.6
|
H
|
A:TRP80
|
4.5
|
8.5
|
1.0
|
OE1
|
A:GLN79
|
4.5
|
8.0
|
0.6
|
HG21
|
A:VAL86
|
4.5
|
11.6
|
0.9
|
N
|
A:ARG81
|
4.5
|
9.6
|
0.4
|
CD
|
A:ARG81
|
4.5
|
9.7
|
0.4
|
H
|
A:ARG81
|
4.5
|
9.7
|
0.6
|
HD3
|
A:ARG81
|
4.5
|
12.9
|
0.6
|
HB3
|
A:ASN71
|
4.5
|
10.6
|
0.4
|
HB3
|
A:ASN71
|
4.6
|
13.0
|
0.6
|
N5
|
B:2L63
|
4.6
|
13.6
|
0.4
|
HG2
|
A:GLN79
|
4.6
|
13.3
|
0.4
|
OE1
|
A:GLN79
|
4.6
|
19.0
|
0.4
|
HG2
|
A:GLN79
|
4.6
|
9.3
|
0.6
|
N5
|
B:2L63
|
4.6
|
9.4
|
0.6
|
O
|
A:GLN79
|
4.6
|
8.4
|
1.0
|
CB
|
A:VAL86
|
4.6
|
7.9
|
0.9
|
NH2
|
A:ARG81
|
4.6
|
11.0
|
0.4
|
H4
|
B:2L52
|
4.6
|
12.4
|
0.4
|
HB2
|
A:ASN71
|
4.7
|
13.0
|
0.6
|
C11
|
B:2L52
|
4.7
|
12.9
|
0.4
|
HA
|
A:ARG81
|
4.7
|
10.5
|
0.4
|
H2
|
B:2L52
|
4.7
|
11.8
|
0.4
|
H14
|
B:2L63
|
4.8
|
10.7
|
0.6
|
HA
|
A:ARG81
|
4.8
|
10.5
|
0.6
|
O
|
B:HOH101
|
4.8
|
22.8
|
0.5
|
CD
|
A:ARG81
|
4.8
|
10.7
|
0.6
|
NH1
|
A:ARG81
|
4.8
|
8.5
|
0.6
|
H
|
A:ARG81
|
4.8
|
11.5
|
0.4
|
H4
|
B:2L52
|
4.8
|
14.5
|
0.6
|
H2
|
B:2L52
|
4.9
|
14.4
|
0.6
|
HB2
|
A:ASN71
|
4.9
|
10.6
|
0.4
|
C29
|
B:2L63
|
4.9
|
8.9
|
0.6
|
CB
|
A:ARG81
|
4.9
|
10.3
|
0.6
|
CA
|
A:ARG81
|
4.9
|
8.7
|
0.6
|
N4
|
B:2L52
|
4.9
|
11.7
|
0.4
|
CB
|
A:ARG81
|
4.9
|
8.3
|
0.4
|
CA
|
A:ARG81
|
5.0
|
8.8
|
0.4
|
HD22
|
A:ASN71
|
5.0
|
19.6
|
0.6
|
HB3
|
A:GLN79
|
5.0
|
9.6
|
0.6
|
|
Chlorine binding site 2 out
of 4 in 7a5m
Go back to
Chlorine Binding Sites List in 7a5m
Chlorine binding site 2 out
of 4 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome
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]-[Prom-2]-[Prom-17]-Ome within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2
b:9.2
occ:0.40
|
CL
|
B:2L52
|
0.0
|
9.2
|
0.4
|
CL
|
B:2L52
|
0.3
|
11.3
|
0.6
|
C15
|
B:2L52
|
1.7
|
9.1
|
0.4
|
C15
|
B:2L52
|
1.9
|
10.9
|
0.6
|
C19
|
B:2L52
|
2.7
|
9.4
|
0.4
|
HG11
|
A:VAL86
|
2.7
|
10.7
|
1.0
|
H1
|
B:2L52
|
2.8
|
11.2
|
0.4
|
H6
|
B:2L52
|
2.8
|
13.5
|
0.4
|
C14
|
B:2L52
|
2.8
|
9.7
|
0.4
|
C19
|
B:2L52
|
2.8
|
12.1
|
0.6
|
H6
|
B:2L52
|
2.8
|
13.6
|
0.6
|
H1
|
B:2L52
|
2.8
|
14.5
|
0.6
|
C14
|
B:2L52
|
2.9
|
11.4
|
0.6
|
HG3
|
A:GLN79
|
3.0
|
13.3
|
0.4
|
HG3
|
A:GLN79
|
3.0
|
9.3
|
0.6
|
H12
|
B:2L63
|
3.0
|
11.9
|
0.6
|
H7
|
B:2L52
|
3.0
|
10.9
|
0.6
|
HG12
|
A:VAL86
|
3.1
|
10.7
|
0.9
|
HG3
|
A:ARG81
|
3.1
|
10.2
|
0.4
|
HG3
|
A:ARG81
|
3.2
|
12.8
|
0.6
|
H12
|
B:2L63
|
3.2
|
16.2
|
0.4
|
C13
|
B:2L52
|
3.2
|
11.3
|
0.6
|
HG2
|
A:ARG81
|
3.2
|
10.2
|
0.4
|
C13
|
B:2L52
|
3.3
|
11.2
|
0.4
|
CG1
|
A:VAL86
|
3.3
|
8.9
|
0.9
|
HA
|
A:TRP80
|
3.4
|
8.6
|
0.7
|
HG2
|
A:ARG81
|
3.4
|
12.8
|
0.6
|
HB2
|
A:GLN79
|
3.5
|
9.6
|
0.6
|
H7
|
B:2L52
|
3.6
|
14.2
|
0.4
|
H13
|
B:2L63
|
3.6
|
16.2
|
0.4
|
C12
|
B:2L52
|
3.6
|
9.1
|
0.6
|
HE21
|
A:GLN79
|
3.6
|
17.3
|
0.4
|
CG
|
A:ARG81
|
3.6
|
8.5
|
0.4
|
HB2
|
A:GLN79
|
3.7
|
10.2
|
0.4
|
HG23
|
A:VAL86
|
3.7
|
11.6
|
0.9
|
CG
|
A:GLN79
|
3.7
|
11.1
|
0.4
|
CG
|
A:GLN79
|
3.7
|
7.8
|
0.6
|
CG
|
A:ARG81
|
3.8
|
10.6
|
0.6
|
C
|
A:TRP80
|
3.8
|
7.3
|
1.0
|
CA
|
A:TRP80
|
3.9
|
7.2
|
1.0
|
NE2
|
A:GLN79
|
3.9
|
14.4
|
0.4
|
C30
|
B:2L63
|
3.9
|
13.5
|
0.4
|
N
|
A:TRP80
|
3.9
|
7.1
|
1.0
|
HE21
|
A:GLN79
|
3.9
|
9.6
|
0.6
|
HG13
|
A:VAL86
|
3.9
|
10.7
|
0.9
|
C18
|
B:2L52
|
4.0
|
9.8
|
0.4
|
CD
|
A:GLN79
|
4.0
|
14.4
|
0.4
|
CD
|
A:GLN79
|
4.0
|
7.5
|
0.6
|
C16
|
B:2L52
|
4.0
|
10.3
|
0.4
|
O
|
A:TRP80
|
4.0
|
7.9
|
1.0
|
HE
|
A:ARG81
|
4.1
|
11.7
|
0.4
|
N
|
A:ARG81
|
4.1
|
8.1
|
0.6
|
NE2
|
A:GLN79
|
4.1
|
8.0
|
0.6
|
C30
|
B:2L63
|
4.1
|
9.9
|
0.6
|
CB
|
A:GLN79
|
4.1
|
8.0
|
0.6
|
C12
|
B:2L52
|
4.1
|
11.8
|
0.4
|
O
|
B:ACY1
|
4.1
|
10.2
|
0.6
|
C18
|
B:2L52
|
4.1
|
12.0
|
0.6
|
H
|
A:TRP80
|
4.1
|
8.5
|
1.0
|
NE
|
A:ARG81
|
4.2
|
9.7
|
0.4
|
H5
|
B:2L52
|
4.2
|
13.5
|
0.4
|
CB
|
A:GLN79
|
4.2
|
8.5
|
0.4
|
C
|
A:GLN79
|
4.2
|
7.4
|
1.0
|
N
|
A:ARG81
|
4.2
|
9.6
|
0.4
|
C16
|
B:2L52
|
4.2
|
12.1
|
0.6
|
H
|
A:ARG81
|
4.3
|
9.7
|
0.6
|
H5
|
B:2L52
|
4.3
|
13.6
|
0.6
|
CG2
|
A:VAL86
|
4.3
|
9.7
|
1.0
|
HG21
|
A:VAL86
|
4.3
|
11.6
|
0.9
|
HE22
|
A:GLN79
|
4.4
|
17.3
|
0.4
|
H13
|
B:2L63
|
4.4
|
11.9
|
0.6
|
O
|
A:GLN79
|
4.4
|
8.4
|
1.0
|
HA
|
A:ARG81
|
4.5
|
10.5
|
0.4
|
CB
|
A:VAL86
|
4.5
|
7.9
|
0.9
|
HH11
|
A:ARG81
|
4.5
|
10.2
|
0.6
|
HA
|
A:ARG81
|
4.5
|
10.5
|
0.6
|
CD
|
A:ARG81
|
4.5
|
9.7
|
0.4
|
C17
|
B:2L52
|
4.5
|
9.7
|
0.4
|
H
|
A:ARG81
|
4.5
|
11.5
|
0.4
|
HG2
|
A:GLN79
|
4.5
|
13.3
|
0.4
|
HE22
|
A:GLN79
|
4.6
|
9.6
|
0.6
|
CZ
|
A:ARG81
|
4.6
|
9.7
|
0.4
|
N4
|
B:2L52
|
4.6
|
9.0
|
0.6
|
HG2
|
A:GLN79
|
4.6
|
9.3
|
0.6
|
HB3
|
A:ASN71
|
4.6
|
10.6
|
0.4
|
HB3
|
A:ASN71
|
4.6
|
13.0
|
0.6
|
HD3
|
A:ARG81
|
4.6
|
12.9
|
0.6
|
OE1
|
A:GLN79
|
4.6
|
8.0
|
0.6
|
CA
|
A:ARG81
|
4.7
|
8.7
|
0.6
|
C17
|
B:2L52
|
4.7
|
12.5
|
0.6
|
C
|
B:ACY1
|
4.7
|
9.3
|
0.6
|
C11
|
B:2L52
|
4.7
|
10.2
|
0.6
|
OE1
|
A:GLN79
|
4.7
|
19.0
|
0.4
|
CA
|
A:ARG81
|
4.7
|
8.8
|
0.4
|
CB
|
A:ARG81
|
4.7
|
10.3
|
0.6
|
HB2
|
A:ASN71
|
4.8
|
13.0
|
0.6
|
CB
|
A:ARG81
|
4.8
|
8.3
|
0.4
|
CD
|
A:ARG81
|
4.8
|
10.7
|
0.6
|
N5
|
B:2L63
|
4.8
|
13.6
|
0.4
|
H2
|
B:2L52
|
4.8
|
11.8
|
0.4
|
H14
|
B:2L63
|
4.8
|
10.7
|
0.6
|
CA
|
A:GLN79
|
4.8
|
7.3
|
0.6
|
N5
|
B:2L63
|
4.8
|
9.4
|
0.6
|
CA
|
A:GLN79
|
4.8
|
7.5
|
0.4
|
HB3
|
A:GLN79
|
4.9
|
9.6
|
0.6
|
NH2
|
A:ARG81
|
4.9
|
11.0
|
0.4
|
NH1
|
A:ARG81
|
4.9
|
8.5
|
0.6
|
H4
|
B:2L52
|
4.9
|
12.4
|
0.4
|
HA
|
A:VAL86
|
5.0
|
8.9
|
0.0
|
HB2
|
A:ASN71
|
5.0
|
10.6
|
0.4
|
O
|
B:HOH101
|
5.0
|
22.8
|
0.5
|
H2
|
B:2L52
|
5.0
|
14.4
|
0.6
|
C29
|
B:2L63
|
5.0
|
8.9
|
0.6
|
|
Chlorine binding site 3 out
of 4 in 7a5m
Go back to
Chlorine Binding Sites List in 7a5m
Chlorine binding site 3 out
of 4 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl2
b:15.2
occ:0.32
|
CL
|
C:2L52
|
0.0
|
15.2
|
0.3
|
H4
|
C:2L52
|
1.2
|
27.5
|
0.4
|
C15
|
C:2L52
|
1.7
|
21.2
|
0.3
|
C16
|
C:2L52
|
2.1
|
22.9
|
0.4
|
H22
|
C:2L63
|
2.3
|
16.3
|
0.4
|
H3
|
C:2L52
|
2.4
|
28.9
|
0.4
|
H1
|
C:MOH5
|
2.5
|
20.5
|
0.2
|
C17
|
C:2L52
|
2.6
|
24.1
|
0.4
|
C19
|
C:2L52
|
2.6
|
23.8
|
0.3
|
H5
|
C:2L52
|
2.6
|
36.4
|
0.3
|
C14
|
C:2L52
|
2.7
|
25.8
|
0.3
|
H7
|
C:2L52
|
2.7
|
40.9
|
0.3
|
HE1
|
A:TYR38
|
2.7
|
13.0
|
0.4
|
H1
|
C:2L52
|
2.8
|
28.6
|
0.3
|
H22
|
C:2L63
|
2.8
|
50.5
|
0.3
|
HBW
|
C:R0E4
|
2.9
|
20.9
|
0.2
|
H7
|
C:2L52
|
3.0
|
18.4
|
0.4
|
HBY
|
C:R0E4
|
3.0
|
22.7
|
0.2
|
C13
|
C:2L52
|
3.0
|
30.3
|
0.3
|
O
|
C:ACY1
|
3.1
|
16.5
|
0.4
|
O
|
A:HOH339
|
3.1
|
13.4
|
1.0
|
H
|
A:SER5
|
3.2
|
10.9
|
0.0
|
C
|
C:MOH5
|
3.2
|
17.1
|
0.2
|
C14
|
C:2L52
|
3.2
|
21.2
|
0.4
|
O
|
C:ACY1
|
3.3
|
26.4
|
0.3
|
C12
|
C:2L52
|
3.3
|
34.1
|
0.3
|
C24
|
C:2L63
|
3.3
|
13.6
|
0.4
|
O
|
C:MOH5
|
3.4
|
19.0
|
0.2
|
H5
|
C:2L52
|
3.4
|
22.7
|
0.4
|
HA
|
A:GLN4
|
3.4
|
11.0
|
1.0
|
H2
|
C:MOH5
|
3.5
|
20.5
|
0.2
|
CE1
|
A:TYR38
|
3.6
|
10.8
|
1.0
|
C13
|
C:2L52
|
3.6
|
18.9
|
0.4
|
C12
|
C:2L52
|
3.7
|
15.3
|
0.4
|
C28
|
C:2L63
|
3.8
|
13.5
|
0.4
|
H21
|
C:2L63
|
3.9
|
16.3
|
0.4
|
C24
|
C:2L63
|
3.9
|
42.1
|
0.3
|
C
|
C:ACY1
|
3.9
|
29.3
|
0.3
|
N
|
A:SER5
|
3.9
|
9.1
|
1.0
|
C18
|
C:2L52
|
3.9
|
26.4
|
0.3
|
CBW
|
C:R0E4
|
3.9
|
17.4
|
0.2
|
C27
|
C:2L63
|
3.9
|
11.6
|
0.4
|
O
|
A:GLU3
|
3.9
|
11.8
|
1.0
|
H19
|
C:2L63
|
3.9
|
16.2
|
0.4
|
C18
|
C:2L52
|
3.9
|
25.0
|
0.4
|
H25
|
C:2L63
|
3.9
|
51.8
|
0.3
|
N4
|
C:2L52
|
4.0
|
31.8
|
0.3
|
C16
|
C:2L52
|
4.0
|
27.1
|
0.3
|
H25
|
C:2L63
|
4.0
|
12.3
|
0.4
|
HB2
|
A:SER5
|
4.0
|
11.8
|
0.0
|
CBY
|
C:R0E4
|
4.0
|
18.9
|
0.2
|
N3
|
C:2L63
|
4.0
|
10.1
|
0.4
|
HD1
|
A:TYR38
|
4.0
|
11.3
|
0.1
|
C
|
C:ACY1
|
4.0
|
16.6
|
0.4
|
H6
|
C:2L52
|
4.0
|
36.4
|
0.3
|
HH
|
A:TYR38
|
4.1
|
15.3
|
0.0
|
N3
|
C:2L63
|
4.2
|
42.0
|
0.3
|
H3
|
C:MOH5
|
4.2
|
20.5
|
0.2
|
C28
|
C:2L63
|
4.2
|
41.6
|
0.3
|
C26
|
C:2L63
|
4.2
|
14.4
|
0.4
|
C9
|
C:2L63
|
4.3
|
12.7
|
0.4
|
N4
|
C:2L52
|
4.3
|
15.5
|
0.4
|
CD1
|
A:TYR38
|
4.3
|
9.4
|
1.0
|
C10
|
C:2L63
|
4.3
|
10.2
|
0.4
|
CA
|
A:GLN4
|
4.3
|
9.2
|
1.0
|
H24
|
C:2L63
|
4.3
|
15.2
|
0.4
|
OBI
|
C:R0E4
|
4.3
|
24.9
|
0.2
|
H19
|
C:2L63
|
4.4
|
49.9
|
0.3
|
C27
|
C:2L63
|
4.4
|
41.9
|
0.3
|
HZ0
|
C:R0E4
|
4.4
|
19.8
|
0.2
|
C31
|
C:2L63
|
4.4
|
11.1
|
0.4
|
C15
|
C:2L52
|
4.4
|
21.6
|
0.4
|
CBX
|
C:R0E4
|
4.4
|
16.5
|
0.2
|
HB3
|
A:SER5
|
4.4
|
11.8
|
0.7
|
CBH
|
C:R0E4
|
4.4
|
23.2
|
0.2
|
C17
|
C:2L52
|
4.4
|
27.8
|
0.3
|
C31
|
C:2L63
|
4.4
|
41.1
|
0.3
|
C10
|
C:2L63
|
4.4
|
43.2
|
0.3
|
C26
|
C:2L63
|
4.5
|
41.5
|
0.3
|
H21
|
C:2L63
|
4.5
|
50.5
|
0.3
|
CBG
|
C:R0E4
|
4.5
|
21.6
|
0.2
|
C
|
A:GLN4
|
4.5
|
9.1
|
1.0
|
CB
|
A:SER5
|
4.6
|
9.9
|
1.0
|
NBF
|
C:R0E4
|
4.6
|
23.7
|
0.2
|
H18
|
C:2L63
|
4.6
|
17.3
|
0.4
|
H2
|
C:2L52
|
4.6
|
30.0
|
0.4
|
CZ
|
A:TYR38
|
4.6
|
10.3
|
1.0
|
C19
|
C:2L52
|
4.6
|
23.7
|
0.4
|
C11
|
C:2L52
|
4.7
|
38.9
|
0.3
|
C35
|
C:2L63
|
4.7
|
11.9
|
0.4
|
OH
|
A:TYR38
|
4.7
|
12.8
|
1.0
|
OE1
|
A:GLN4
|
4.7
|
12.3
|
1.0
|
H6
|
C:2L52
|
4.7
|
22.7
|
0.4
|
C9
|
C:2L63
|
4.7
|
42.5
|
0.3
|
O
|
C:HOH103
|
4.7
|
65.9
|
1.0
|
HZ1
|
C:R0E4
|
4.7
|
22.7
|
0.2
|
CBL
|
C:R0E4
|
4.7
|
19.8
|
0.2
|
H2
|
C:2L52
|
4.8
|
31.6
|
0.3
|
C
|
A:GLU3
|
4.8
|
9.4
|
1.0
|
H18
|
C:2L63
|
4.8
|
49.8
|
0.3
|
H8
|
C:2L52
|
4.8
|
38.2
|
0.0
|
O3
|
C:2L63
|
4.8
|
40.5
|
0.3
|
H4
|
C:2L52
|
4.8
|
32.5
|
0.3
|
CA
|
A:SER5
|
4.8
|
8.9
|
1.0
|
H24
|
C:2L63
|
4.9
|
51.0
|
0.3
|
C35
|
C:2L63
|
4.9
|
41.1
|
0.3
|
C11
|
C:2L52
|
4.9
|
12.7
|
0.4
|
H20
|
C:2L63
|
5.0
|
14.0
|
0.4
|
CBV
|
C:R0E4
|
5.0
|
14.7
|
0.2
|
N
|
A:GLN4
|
5.0
|
8.7
|
1.0
|
CD
|
A:GLN4
|
5.0
|
10.6
|
1.0
|
NBJ
|
C:R0E4
|
5.0
|
22.8
|
0.2
|
|
Chlorine binding site 4 out
of 4 in 7a5m
Go back to
Chlorine Binding Sites List in 7a5m
Chlorine binding site 4 out
of 4 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-17]-Ome within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl2
b:19.9
occ:0.42
|
CL
|
C:2L52
|
0.0
|
19.9
|
0.4
|
H4
|
C:2L52
|
1.6
|
32.5
|
0.3
|
HZY
|
C:R0E4
|
1.7
|
35.2
|
0.2
|
C15
|
C:2L52
|
1.8
|
21.6
|
0.4
|
HBR
|
C:R0E4
|
1.9
|
35.2
|
0.2
|
CBR
|
C:R0E4
|
2.1
|
29.4
|
0.2
|
C16
|
C:2L52
|
2.6
|
27.1
|
0.3
|
H2
|
C:MOH5
|
2.6
|
20.5
|
0.2
|
C19
|
C:2L52
|
2.7
|
23.7
|
0.4
|
HZZ
|
C:R0E4
|
2.7
|
30.9
|
0.2
|
O4
|
C:2L52
|
2.7
|
41.3
|
0.3
|
H1
|
C:2L52
|
2.7
|
28.5
|
0.4
|
H6
|
C:2L52
|
2.7
|
22.7
|
0.4
|
H3
|
C:MOH5
|
2.8
|
20.5
|
0.2
|
HZX
|
C:R0E4
|
2.9
|
35.2
|
0.2
|
C14
|
C:2L52
|
2.9
|
21.2
|
0.4
|
H6
|
C:2L52
|
2.9
|
36.4
|
0.3
|
H13
|
C:2L63
|
3.1
|
48.1
|
0.3
|
C11
|
C:2L52
|
3.1
|
38.9
|
0.3
|
C
|
C:MOH5
|
3.1
|
17.1
|
0.2
|
OBO
|
C:R0E4
|
3.1
|
20.2
|
0.2
|
C13
|
C:2L52
|
3.3
|
18.9
|
0.4
|
H13
|
C:2L63
|
3.3
|
16.2
|
0.4
|
CBP
|
C:R0E4
|
3.3
|
28.8
|
0.2
|
CBL
|
C:R0E4
|
3.4
|
19.8
|
0.2
|
C11
|
C:2L52
|
3.4
|
12.7
|
0.4
|
O4
|
C:2L52
|
3.4
|
12.6
|
0.4
|
H18
|
C:2L63
|
3.4
|
17.3
|
0.4
|
CBS
|
C:R0E4
|
3.5
|
25.8
|
0.2
|
C14
|
C:2L52
|
3.5
|
25.8
|
0.3
|
C17
|
C:2L52
|
3.5
|
27.8
|
0.3
|
H3
|
C:2L52
|
3.5
|
33.3
|
0.3
|
C13
|
C:2L52
|
3.5
|
30.3
|
0.3
|
H15
|
C:2L63
|
3.6
|
18.6
|
0.4
|
N5
|
C:2L63
|
3.6
|
12.0
|
0.4
|
N5
|
C:2L63
|
3.6
|
40.2
|
0.3
|
O
|
C:MOH5
|
3.7
|
19.0
|
0.2
|
H18
|
C:2L63
|
3.7
|
49.8
|
0.3
|
C30
|
C:2L63
|
3.8
|
40.1
|
0.3
|
HBP
|
C:R0E4
|
3.9
|
34.5
|
0.2
|
C30
|
C:2L63
|
3.9
|
13.5
|
0.4
|
C12
|
C:2L52
|
3.9
|
34.1
|
0.3
|
HBS
|
C:R0E4
|
3.9
|
30.9
|
0.2
|
C12
|
C:2L52
|
3.9
|
15.3
|
0.4
|
C18
|
C:2L52
|
4.0
|
25.0
|
0.4
|
HBK
|
C:R0E4
|
4.0
|
25.9
|
0.2
|
H1
|
C:MOH5
|
4.1
|
20.5
|
0.2
|
C16
|
C:2L52
|
4.1
|
22.9
|
0.4
|
H5
|
C:2L52
|
4.2
|
22.7
|
0.4
|
C26
|
C:2L63
|
4.2
|
14.4
|
0.4
|
CBK
|
C:R0E4
|
4.2
|
21.6
|
0.2
|
C29
|
C:2L63
|
4.3
|
15.5
|
0.4
|
HBQ
|
C:R0E4
|
4.3
|
36.3
|
0.2
|
H15
|
C:2L63
|
4.4
|
48.4
|
0.3
|
HE1
|
A:MET1
|
4.4
|
28.5
|
1.0
|
CBQ
|
C:R0E4
|
4.4
|
30.2
|
0.2
|
C35
|
C:2L63
|
4.5
|
11.9
|
0.4
|
H7
|
C:2L52
|
4.5
|
18.4
|
0.4
|
H7
|
C:2L52
|
4.5
|
40.9
|
0.3
|
H5
|
C:2L52
|
4.5
|
36.4
|
0.3
|
C26
|
C:2L63
|
4.5
|
41.5
|
0.3
|
C17
|
C:2L52
|
4.6
|
24.1
|
0.4
|
H12
|
C:2L63
|
4.6
|
48.1
|
0.3
|
C29
|
C:2L63
|
4.7
|
40.4
|
0.3
|
C15
|
C:2L52
|
4.8
|
21.2
|
0.3
|
CBT
|
C:R0E4
|
4.8
|
21.4
|
0.2
|
C18
|
C:2L52
|
4.8
|
26.4
|
0.3
|
NBJ
|
C:R0E4
|
4.8
|
22.8
|
0.2
|
C35
|
C:2L63
|
4.8
|
41.1
|
0.3
|
H2
|
C:2L52
|
4.8
|
30.0
|
0.4
|
H8
|
C:2L52
|
4.9
|
38.2
|
0.0
|
H12
|
C:2L63
|
4.9
|
16.2
|
0.4
|
N4
|
C:2L52
|
4.9
|
31.8
|
0.3
|
|
Reference:
M.Barone,
M.Muller,
S.Chiha,
J.Ren,
D.Albat,
A.Soicke,
S.Dohmen,
M.Klein,
J.Bruns,
M.Van Dinther,
R.Opitz,
P.Lindemann,
M.Beerbaum,
K.Motzny,
Y.Roske,
P.Schmieder,
R.Volkmer,
M.Nazare,
U.Heinemann,
H.Oschkinat,
P.Ten Dijke,
H.G.Schmalz,
R.Kuhne.
Designed Nanomolar Small-Molecule Inhibitors of Ena/Vasp EVH1 Interaction Impair Invasion and Extravasation of Breast Cancer Cells. Proc.Natl.Acad.Sci.Usa V. 117 29684 2020.
ISSN: ESSN 1091-6490
PubMed: 33184177
DOI: 10.1073/PNAS.2007213117
Page generated: Mon Jul 29 18:21:40 2024
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