Phosphorus in PDB 1a1e: C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(3- Butylpiperidine)

Enzymatic activity of C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(3- Butylpiperidine)

All present enzymatic activity of C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(3- Butylpiperidine):
2.7.1.112;

Protein crystallography data

The structure of C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(3- Butylpiperidine), PDB code: 1a1e 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 (°) 51.600, 67.200, 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-Phosphotyr-Glu-(3- Butylpiperidine) (pdb code 1a1e). 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-(3- Butylpiperidine), PDB code: 1a1e:
Jump to Phosphorus binding site number: 1; 2;

Phosphorus binding site 1 out of 2 in 1a1e

Go back to Phosphorus Binding Sites List in 1a1e
Phosphorus binding site 1 out of 2 in the C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(3- Butylpiperidine)


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-(3- Butylpiperidine) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:P101

b:25.5
occ:1.00
P C:PTR101 0.0 25.5 1.0
O1P C:PTR101 1.5 33.1 1.0
O2P C:PTR101 1.5 24.6 1.0
O3P C:PTR101 1.5 29.5 1.0
OH C:PTR101 1.6 22.0 1.0
CZ C:PTR101 2.6 24.1 1.0
HH22 A:ARG178 2.8 0.0 1.0
HE A:ARG158 3.0 0.0 1.0
HH12 A:ARG178 3.0 0.0 1.0
CE1 C:PTR101 3.3 19.4 1.0
H A:GLU181 3.3 0.0 1.0
H2 B:HOH512 3.4 0.0 1.0
HH21 A:ARG158 3.4 0.0 1.0
H A:THR182 3.5 0.0 1.0
CE2 C:PTR101 3.6 19.4 1.0
NH2 A:ARG178 3.8 22.5 1.0
OG A:SER180 3.9 24.4 1.0
NH1 A:ARG178 3.9 26.6 1.0
NE A:ARG158 4.0 24.5 1.0
N A:GLU181 4.1 33.1 1.0
H1 B:HOH512 4.1 0.0 1.0
CB A:THR182 4.2 28.2 1.0
O B:HOH512 4.2 47.2 1.0
CZ A:ARG178 4.3 20.2 1.0
NH2 A:ARG158 4.3 23.2 1.0
HG A:SER180 4.4 0.0 1.0
CB A:ARG158 4.4 23.9 1.0
N A:THR182 4.4 36.9 1.0
HH21 A:ARG178 4.5 0.0 1.0
CA A:SER180 4.5 28.3 1.0
OG1 A:THR182 4.5 33.3 1.0
CD1 C:PTR101 4.6 22.2 1.0
CZ A:ARG158 4.7 21.6 1.0
HH11 A:ARG178 4.7 0.0 1.0
CB A:SER180 4.8 23.3 1.0
C A:SER180 4.8 29.1 1.0
CB A:GLU181 4.8 31.7 1.0
CG A:ARG158 4.8 20.1 1.0
CG A:GLU181 4.8 33.0 1.0
CD2 C:PTR101 4.8 22.5 1.0
CG2 A:THR182 4.9 32.7 1.0
CD A:ARG158 4.9 23.2 1.0
CA A:GLU181 4.9 35.6 1.0
OE1 B:GLU160 5.0 75.1 1.0

Phosphorus binding site 2 out of 2 in 1a1e

Go back to Phosphorus Binding Sites List in 1a1e
Phosphorus binding site 2 out of 2 in the C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(3- Butylpiperidine)


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-(3- Butylpiperidine) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:P101

b:47.9
occ:1.00
P D:PTR101 0.0 47.9 1.0
O1P D:PTR101 1.5 52.1 1.0
O2P D:PTR101 1.5 47.5 1.0
O3P D:PTR101 1.5 42.2 1.0
OH D:PTR101 1.6 41.5 1.0
CZ D:PTR101 2.7 38.8 1.0
HH22 B:ARG178 2.8 0.0 1.0
HH12 B:ARG178 3.1 0.0 1.0
HH21 B:ARG158 3.2 0.0 1.0
H B:GLU181 3.2 0.0 1.0
HE B:ARG158 3.2 0.0 1.0
H B:THR182 3.4 0.0 1.0
HG1 B:THR182 3.4 0.0 1.0
CE1 D:PTR101 3.4 37.9 1.0
CE2 D:PTR101 3.6 34.4 1.0
OG B:SER180 3.7 41.6 1.0
NH2 B:ARG178 3.8 29.9 1.0
OG1 B:THR182 3.9 55.4 1.0
NH1 B:ARG178 4.0 31.7 1.0
N B:GLU181 4.0 44.7 1.0
NH2 B:ARG158 4.1 62.1 1.0
NE B:ARG158 4.2 53.8 1.0
CB B:THR182 4.2 57.7 1.0
CZ B:ARG178 4.3 34.3 1.0
N B:THR182 4.4 56.9 1.0
HG B:SER180 4.4 0.0 1.0
CA B:SER180 4.4 42.1 1.0
HH21 B:ARG178 4.5 0.0 1.0
OE1 B:GLU181 4.5 80.2 1.0
CG B:GLU181 4.5 66.1 1.0
CB B:GLU181 4.6 56.7 1.0
CB B:SER180 4.6 41.8 1.0
C B:SER180 4.6 42.4 1.0
CZ B:ARG158 4.7 56.9 1.0
CD1 D:PTR101 4.7 34.3 1.0
CD B:GLU181 4.7 70.5 1.0
CB B:ARG158 4.7 38.2 1.0
HH11 B:ARG178 4.8 0.0 1.0
CA B:GLU181 4.8 52.6 1.0
CD2 D:PTR101 4.8 37.5 1.0
HH22 B:ARG158 4.9 0.0 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 11:57:24 2020

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