Phosphorus in PDB 1a1b: C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N,N-Dipentyl Amine)
Enzymatic activity of C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N,N-Dipentyl Amine)
All present enzymatic activity of C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N,N-Dipentyl Amine):
2.7.1.112;
Protein crystallography data
The structure of C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N,N-Dipentyl Amine), PDB code: 1a1b
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 (°)
|
52.500,
67.100,
74.500,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.4 /
n/a
|
Phosphorus Binding Sites:
The binding sites of Phosphorus atom in the C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N,N-Dipentyl Amine)
(pdb code 1a1b). 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-Phosphotyr-Glu-(N,N-Dipentyl Amine), PDB code: 1a1b:
Jump to Phosphorus binding site number:
1;
2;
Phosphorus binding site 1 out
of 2 in 1a1b
Go back to
Phosphorus Binding Sites List in 1a1b
Phosphorus binding site 1 out
of 2 in the C-Src (SH2 Domain) Complexed with Ace-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-Phosphotyr-Glu-(N,N-Dipentyl Amine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:P101
b:10.7
occ:1.00
|
P
|
C:PTR101
|
0.0
|
10.7
|
1.0
|
O1P
|
C:PTR101
|
1.5
|
11.1
|
1.0
|
O2P
|
C:PTR101
|
1.5
|
9.9
|
1.0
|
O3P
|
C:PTR101
|
1.5
|
14.6
|
1.0
|
OH
|
C:PTR101
|
1.6
|
8.7
|
1.0
|
CZ
|
C:PTR101
|
2.7
|
14.8
|
1.0
|
HH22
|
A:ARG178
|
2.9
|
0.0
|
1.0
|
HH12
|
A:ARG178
|
3.0
|
0.0
|
1.0
|
HE
|
A:ARG158
|
3.1
|
0.0
|
1.0
|
H
|
A:GLU181
|
3.2
|
0.0
|
1.0
|
HH21
|
A:ARG158
|
3.2
|
0.0
|
1.0
|
CE1
|
C:PTR101
|
3.4
|
11.9
|
1.0
|
H
|
A:THR182
|
3.6
|
0.0
|
1.0
|
O
|
C:HOH526
|
3.7
|
65.0
|
1.0
|
CE2
|
C:PTR101
|
3.7
|
11.1
|
1.0
|
NH2
|
A:ARG178
|
3.8
|
8.2
|
1.0
|
NH1
|
A:ARG178
|
3.9
|
4.6
|
1.0
|
OG
|
A:SER180
|
4.0
|
9.8
|
1.0
|
NE
|
A:ARG158
|
4.0
|
18.8
|
1.0
|
N
|
A:GLU181
|
4.0
|
17.1
|
1.0
|
CB
|
A:THR182
|
4.1
|
18.1
|
1.0
|
NH2
|
A:ARG158
|
4.2
|
17.7
|
1.0
|
HG
|
A:SER180
|
4.2
|
0.0
|
1.0
|
CZ
|
A:ARG178
|
4.3
|
8.7
|
1.0
|
N
|
A:THR182
|
4.4
|
20.4
|
1.0
|
CA
|
A:SER180
|
4.4
|
13.3
|
1.0
|
CB
|
A:ARG158
|
4.5
|
7.9
|
1.0
|
OG1
|
A:THR182
|
4.5
|
24.0
|
1.0
|
HH21
|
A:ARG178
|
4.6
|
0.0
|
1.0
|
CZ
|
A:ARG158
|
4.6
|
16.8
|
1.0
|
HH11
|
A:ARG178
|
4.7
|
0.0
|
1.0
|
CB
|
A:SER180
|
4.7
|
8.7
|
1.0
|
CD1
|
C:PTR101
|
4.7
|
7.9
|
1.0
|
C
|
A:SER180
|
4.7
|
15.1
|
1.0
|
CG2
|
A:THR182
|
4.7
|
19.2
|
1.0
|
CG
|
A:GLU181
|
4.9
|
17.2
|
1.0
|
CB
|
A:GLU181
|
4.9
|
18.6
|
1.0
|
CD2
|
C:PTR101
|
4.9
|
9.1
|
1.0
|
CG
|
A:ARG158
|
4.9
|
9.4
|
1.0
|
CA
|
A:GLU181
|
4.9
|
19.0
|
1.0
|
HH22
|
A:ARG158
|
4.9
|
0.0
|
1.0
|
CD
|
A:ARG158
|
5.0
|
14.6
|
1.0
|
|
Phosphorus binding site 2 out
of 2 in 1a1b
Go back to
Phosphorus Binding Sites List in 1a1b
Phosphorus binding site 2 out
of 2 in the C-Src (SH2 Domain) Complexed with Ace-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-Phosphotyr-Glu-(N,N-Dipentyl Amine) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:P101
b:26.1
occ:1.00
|
P
|
D:PTR101
|
0.0
|
26.1
|
1.0
|
O1P
|
D:PTR101
|
1.5
|
29.1
|
1.0
|
O2P
|
D:PTR101
|
1.5
|
29.0
|
1.0
|
O3P
|
D:PTR101
|
1.5
|
34.5
|
1.0
|
OH
|
D:PTR101
|
1.6
|
24.0
|
1.0
|
CZ
|
D:PTR101
|
2.7
|
23.9
|
1.0
|
HH12
|
B:ARG178
|
2.8
|
0.0
|
1.0
|
HH22
|
B:ARG178
|
2.8
|
0.0
|
1.0
|
O
|
D:HOH530
|
3.1
|
48.2
|
1.0
|
H
|
B:GLU181
|
3.2
|
0.0
|
1.0
|
H
|
B:THR182
|
3.3
|
0.0
|
1.0
|
HE
|
B:ARG158
|
3.4
|
0.0
|
1.0
|
CE1
|
D:PTR101
|
3.4
|
21.6
|
1.0
|
HH21
|
B:ARG158
|
3.5
|
0.0
|
1.0
|
CE2
|
D:PTR101
|
3.6
|
20.0
|
1.0
|
HG
|
B:SER180
|
3.7
|
0.0
|
1.0
|
NH1
|
B:ARG178
|
3.7
|
19.9
|
1.0
|
OG
|
B:SER180
|
3.7
|
22.9
|
1.0
|
NH2
|
B:ARG178
|
3.7
|
13.8
|
1.0
|
N
|
B:GLU181
|
4.0
|
27.7
|
1.0
|
CB
|
B:THR182
|
4.1
|
42.7
|
1.0
|
OG1
|
B:THR182
|
4.2
|
46.8
|
1.0
|
CZ
|
B:ARG178
|
4.2
|
18.8
|
1.0
|
N
|
B:THR182
|
4.3
|
35.9
|
1.0
|
CA
|
B:SER180
|
4.4
|
25.2
|
1.0
|
NE
|
B:ARG158
|
4.4
|
28.9
|
1.0
|
CG
|
B:GLU181
|
4.5
|
37.9
|
1.0
|
NH2
|
B:ARG158
|
4.5
|
38.7
|
1.0
|
HH11
|
B:ARG178
|
4.5
|
0.0
|
1.0
|
HH21
|
B:ARG178
|
4.5
|
0.0
|
1.0
|
CD
|
B:GLU181
|
4.6
|
42.6
|
1.0
|
CB
|
B:SER180
|
4.6
|
21.6
|
1.0
|
C
|
B:SER180
|
4.6
|
26.9
|
1.0
|
OE1
|
B:GLU181
|
4.7
|
50.7
|
1.0
|
CD1
|
D:PTR101
|
4.7
|
21.0
|
1.0
|
CB
|
B:ARG158
|
4.7
|
16.2
|
1.0
|
CB
|
B:GLU181
|
4.8
|
33.6
|
1.0
|
CD2
|
D:PTR101
|
4.8
|
18.6
|
1.0
|
CA
|
B:GLU181
|
4.9
|
31.6
|
1.0
|
CA
|
B:THR182
|
5.0
|
39.6
|
1.0
|
CZ
|
B:ARG158
|
5.0
|
33.0
|
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 11:57:12 2020
|