Phosphorus in PDB 1a1e: 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;

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

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 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 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

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