Phosphorus in PDB 1a08: 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;

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

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 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 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

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