Phosphorus in PDB 1a08: C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine)
Enzymatic activity of C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine)
All present enzymatic activity of C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine):
2.7.1.112;
Protein crystallography data
The structure of C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine), PDB code: 1a08
was solved by
L.Shewchuk,
S.Jordan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
6.00 /
2.20
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.900,
67.400,
75.200,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.2 /
n/a
|
Phosphorus Binding Sites:
The binding sites of Phosphorus atom in the C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine)
(pdb code 1a08). This binding sites where shown within
5.0 Angstroms radius around Phosphorus atom.
In total 2 binding sites of Phosphorus where determined in the
C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine), PDB code: 1a08:
Jump to Phosphorus binding site number:
1;
2;
Phosphorus binding site 1 out
of 2 in 1a08
Go back to
Phosphorus Binding Sites List in 1a08
Phosphorus binding site 1 out
of 2 in the C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine)
 Mono view
 Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 1 of C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P101
b:13.4
occ:1.00
|
P
|
C:FTY101
|
0.0
|
13.4
|
1.0
|
O1P
|
C:FTY101
|
1.5
|
14.9
|
1.0
|
O2P
|
C:FTY101
|
1.5
|
20.9
|
1.0
|
O3P
|
C:FTY101
|
1.5
|
10.0
|
1.0
|
C1
|
C:FTY101
|
1.8
|
13.1
|
1.0
|
F1
|
C:FTY101
|
2.6
|
23.5
|
1.0
|
F2
|
C:FTY101
|
2.7
|
17.9
|
1.0
|
H2
|
C:HOH517
|
2.8
|
0.0
|
1.0
|
HE
|
A:ARG158
|
2.9
|
0.0
|
1.0
|
HH22
|
A:ARG178
|
2.9
|
0.0
|
1.0
|
HH12
|
A:ARG178
|
2.9
|
0.0
|
1.0
|
CZ
|
C:FTY101
|
3.0
|
12.9
|
1.0
|
HH21
|
A:ARG158
|
3.3
|
0.0
|
1.0
|
HG
|
A:SER180
|
3.4
|
0.0
|
1.0
|
H
|
A:GLU181
|
3.6
|
0.0
|
1.0
|
O
|
C:HOH517
|
3.7
|
39.0
|
1.0
|
CE1
|
C:FTY101
|
3.7
|
9.1
|
1.0
|
CE2
|
C:FTY101
|
3.8
|
12.5
|
1.0
|
NH2
|
A:ARG178
|
3.8
|
12.8
|
1.0
|
NH1
|
A:ARG178
|
3.8
|
12.9
|
1.0
|
NE
|
A:ARG158
|
3.9
|
15.1
|
1.0
|
H
|
A:THR182
|
3.9
|
0.0
|
1.0
|
NH2
|
A:ARG158
|
4.2
|
13.3
|
1.0
|
H1
|
C:HOH517
|
4.3
|
0.0
|
1.0
|
OG
|
A:SER180
|
4.3
|
26.8
|
1.0
|
CZ
|
A:ARG178
|
4.4
|
18.7
|
1.0
|
CB
|
A:THR182
|
4.4
|
30.3
|
1.0
|
N
|
A:GLU181
|
4.4
|
29.2
|
1.0
|
CB
|
A:ARG158
|
4.6
|
16.1
|
1.0
|
CZ
|
A:ARG158
|
4.6
|
13.3
|
1.0
|
HH21
|
A:ARG178
|
4.6
|
0.0
|
1.0
|
HH11
|
A:ARG178
|
4.6
|
0.0
|
1.0
|
HG1
|
A:THR182
|
4.7
|
0.0
|
1.0
|
CD
|
A:ARG158
|
4.7
|
7.4
|
1.0
|
N
|
A:THR182
|
4.7
|
30.4
|
1.0
|
CG
|
A:ARG158
|
4.8
|
6.2
|
1.0
|
OG1
|
A:THR182
|
4.8
|
29.5
|
1.0
|
CG2
|
A:THR182
|
4.9
|
33.5
|
1.0
|
OE1
|
B:GLU160
|
4.9
|
62.2
|
1.0
|
CD1
|
C:FTY101
|
5.0
|
16.0
|
1.0
|
CB
|
A:GLU181
|
5.0
|
32.6
|
1.0
|
CA
|
A:SER180
|
5.0
|
20.9
|
1.0
|
HH22
|
A:ARG158
|
5.0
|
0.0
|
1.0
|
|
Phosphorus binding site 2 out
of 2 in 1a08
Go back to
Phosphorus Binding Sites List in 1a08
Phosphorus binding site 2 out
of 2 in the C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine)
 Mono view
 Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 2 of C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:P101
b:35.3
occ:1.00
|
P
|
D:FTY101
|
0.0
|
35.3
|
1.0
|
O2P
|
D:FTY101
|
1.5
|
38.0
|
1.0
|
O1P
|
D:FTY101
|
1.5
|
37.5
|
1.0
|
O3P
|
D:FTY101
|
1.5
|
33.1
|
1.0
|
C1
|
D:FTY101
|
1.9
|
30.2
|
1.0
|
F1
|
D:FTY101
|
2.7
|
34.9
|
1.0
|
F2
|
D:FTY101
|
2.7
|
30.5
|
1.0
|
HH22
|
B:ARG178
|
2.8
|
0.0
|
1.0
|
CZ
|
D:FTY101
|
2.9
|
29.7
|
1.0
|
HH12
|
B:ARG178
|
3.0
|
0.0
|
1.0
|
HG1
|
B:THR182
|
3.2
|
0.0
|
1.0
|
HE
|
B:ARG158
|
3.3
|
0.0
|
1.0
|
HH21
|
B:ARG158
|
3.5
|
0.0
|
1.0
|
H
|
B:THR182
|
3.6
|
0.0
|
1.0
|
H
|
B:GLU181
|
3.6
|
0.0
|
1.0
|
CE2
|
D:FTY101
|
3.7
|
28.1
|
1.0
|
CE1
|
D:FTY101
|
3.8
|
26.0
|
1.0
|
NH2
|
B:ARG178
|
3.8
|
15.8
|
1.0
|
OG1
|
B:THR182
|
3.8
|
71.4
|
1.0
|
NH1
|
B:ARG178
|
3.9
|
18.7
|
1.0
|
CG
|
B:GLU181
|
4.1
|
68.6
|
1.0
|
NE
|
B:ARG158
|
4.3
|
32.7
|
1.0
|
CZ
|
B:ARG178
|
4.3
|
17.5
|
1.0
|
N
|
B:GLU181
|
4.3
|
60.5
|
1.0
|
CB
|
B:THR182
|
4.3
|
68.6
|
1.0
|
NH2
|
B:ARG158
|
4.4
|
40.5
|
1.0
|
N
|
B:THR182
|
4.5
|
66.8
|
1.0
|
OG
|
B:SER180
|
4.5
|
52.6
|
1.0
|
HH21
|
B:ARG178
|
4.5
|
0.0
|
1.0
|
HG
|
B:SER180
|
4.6
|
0.0
|
1.0
|
OE2
|
B:GLU181
|
4.7
|
68.3
|
1.0
|
HH11
|
B:ARG178
|
4.7
|
0.0
|
1.0
|
CB
|
B:ARG158
|
4.7
|
21.5
|
1.0
|
CZ
|
B:ARG158
|
4.8
|
37.7
|
1.0
|
CA
|
B:SER180
|
4.8
|
52.9
|
1.0
|
H
|
B:THR183
|
4.8
|
0.0
|
1.0
|
C
|
B:SER180
|
4.9
|
57.3
|
1.0
|
CD2
|
D:FTY101
|
5.0
|
27.6
|
1.0
|
CD
|
B:GLU181
|
5.0
|
70.2
|
1.0
|
CD1
|
D:FTY101
|
5.0
|
26.2
|
1.0
|
|
Reference:
P.S.Charifson,
L.M.Shewchuk,
W.Rocque,
C.W.Hummel,
S.R.Jordan,
C.Mohr,
G.J.Pacofsky,
M.R.Peel,
M.Rodriguez,
D.D.Sternbach,
T.G.Consler.
Peptide Ligands of PP60(C-Src) SH2 Domains: A Thermodynamic and Structural Study. Biochemistry V. 36 6283 1997.
ISSN: ISSN 0006-2960
PubMed: 9174343
DOI: 10.1021/BI970019N
Page generated: Fri Sep 25 11:55:46 2020
|