Phosphorus in PDB 1a09: C-Src (SH2 Domain) Complexed with Ace-Formyl Phosphotyr-Glu-(N,N- Dipentyl Amine)

All present enzymatic activity of C-Src (SH2 Domain) Complexed with Ace-Formyl Phosphotyr-Glu-(N,N- Dipentyl Amine):
2.7.1.112;

The structure of C-Src (SH2 Domain) Complexed with Ace-Formyl Phosphotyr-Glu-(N,N- Dipentyl Amine), PDB code: 1a09 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 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.900, 66.000, 74.100, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / n/a

The binding sites of Phosphorus atom in the C-Src (SH2 Domain) Complexed with Ace-Formyl Phosphotyr-Glu-(N,N- Dipentyl Amine) (pdb code 1a09). 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-Formyl Phosphotyr-Glu-(N,N- Dipentyl Amine), PDB code: 1a09:
Jump to Phosphorus binding site number: 1; 2;

Phosphorus binding site 1 out of 2 in the C-Src (SH2 Domain) Complexed with Ace-Formyl 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-Formyl Phosphotyr-Glu-(N,N- Dipentyl Amine) within 5.0Å range: probe atom residue distance (Å) B Occ C:P101 b:21.1 occ:1.00 P C:PTH101 0.0 21.1 1.0 O3P C:PTH101 1.5 20.3 1.0 O1P C:PTH101 1.5 23.6 1.0 O2P C:PTH101 1.5 17.9 1.0 OH C:PTH101 1.8 22.5 1.0 CZ C:PTH101 2.7 26.2 1.0 HH12 A:ARG178 2.8 0.0 1.0 HG1 A:THR182 2.8 0.0 1.0 HE A:ARG158 2.9 0.0 1.0 HH22 A:ARG178 2.9 0.0 1.0 H A:GLU181 3.0 0.0 1.0 HH21 A:ARG158 3.1 0.0 1.0 CE2 C:PTH101 3.3 25.4 1.0 H A:THR182 3.3 0.0 1.0 CE1 C:PTH101 3.6 28.4 1.0 OG1 A:THR182 3.7 22.0 1.0 NH1 A:ARG178 3.7 13.3 1.0 CF C:PTH101 3.8 32.4 1.0 NH2 A:ARG178 3.9 11.6 1.0 NE A:ARG158 3.9 31.1 1.0 N A:GLU181 3.9 21.4 1.0 OG A:SER180 4.0 19.5 1.0 SG A:CYS188 4.0 35.4 1.0 NH2 A:ARG158 4.1 30.8 1.0 HG A:SER180 4.1 0.0 1.0 N A:THR182 4.2 24.1 1.0 CB A:ARG158 4.3 16.4 1.0 CZ A:ARG178 4.3 14.4 1.0 CA A:SER180 4.5 21.6 1.0 HH11 A:ARG178 4.5 0.0 1.0 CB A:GLU181 4.5 21.4 1.0 CZ A:ARG158 4.6 25.2 1.0 CD2 C:PTH101 4.6 24.5 1.0 CB A:THR182 4.6 23.2 1.0 HH21 A:ARG178 4.7 0.0 1.0 CA A:GLU181 4.7 23.5 1.0 CG2 A:THR182 4.7 24.9 1.0 C A:SER180 4.7 23.4 1.0 CB A:SER180 4.7 18.8 1.0 CD1 C:PTH101 4.7 22.9 1.0 CD A:ARG158 4.8 22.8 1.0 CG A:GLU181 4.8 23.5 1.0 HH22 A:ARG158 4.8 0.0 1.0 CG A:ARG158 4.9 21.4 1.0 CD2 B:LEU164 4.9 20.2 1.0 C A:GLU181 5.0 24.7 1.0

Phosphorus binding site 2 out of 2 in the C-Src (SH2 Domain) Complexed with Ace-Formyl 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-Formyl Phosphotyr-Glu-(N,N- Dipentyl Amine) within 5.0Å range: probe atom residue distance (Å) B Occ D:P101 b:28.3 occ:1.00 P D:PTH101 0.0 28.3 1.0 O2P D:PTH101 1.5 25.2 1.0 O3P D:PTH101 1.5 29.1 1.0 O1P D:PTH101 1.5 31.1 1.0 OH D:PTH101 1.8 28.1 1.0 H2 D:HOH589 2.7 0.0 1.0 CZ D:PTH101 2.8 35.3 1.0 HG1 B:THR182 2.8 0.0 1.0 HH12 B:ARG178 2.8 0.0 1.0 HH22 B:ARG178 2.9 0.0 1.0 HE B:ARG158 3.1 0.0 1.0 HH21 B:ARG158 3.1 0.0 1.0 H B:GLU181 3.1 0.0 1.0 H1 D:HOH589 3.2 0.0 1.0 H B:THR182 3.2 0.0 1.0 O D:HOH589 3.4 31.0 1.0 CE1 D:PTH101 3.5 38.1 1.0 CF D:PTH101 3.6 41.0 1.0 OG1 B:THR182 3.6 33.6 1.0 CE2 D:PTH101 3.6 36.1 1.0 NH1 B:ARG178 3.7 15.2 1.0 NH2 B:ARG178 3.9 14.2 1.0 OG B:SER180 4.0 30.3 1.0 N B:GLU181 4.0 33.9 1.0 NE B:ARG158 4.1 32.7 1.0 NH2 B:ARG158 4.1 37.8 1.0 SG B:CYS188 4.1 30.4 1.0 N B:THR182 4.2 38.7 1.0 CZ B:ARG178 4.3 17.3 1.0 CB B:GLU181 4.3 37.3 1.0 CB B:ARG158 4.4 19.0 1.0 CG2 B:THR182 4.5 32.7 1.0 HH11 B:ARG178 4.5 0.0 1.0 CB B:THR182 4.5 35.5 1.0 HG B:SER180 4.6 0.0 1.0 CZ B:ARG158 4.6 35.0 1.0 CA B:GLU181 4.6 37.1 1.0 HH21 B:ARG178 4.7 0.0 1.0 CG B:GLU181 4.7 37.4 1.0 CA B:SER180 4.7 32.1 1.0 CD1 D:PTH101 4.8 32.6 1.0 HH22 B:ARG158 4.8 0.0 1.0 CD2 D:PTH101 4.9 34.5 1.0 CB B:SER180 4.9 30.4 1.0 OE2 B:GLU181 4.9 40.6 1.0 C B:SER180 4.9 31.8 1.0 C B:GLU181 4.9 37.0 1.0 OF D:PTH101 5.0 54.1 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