Phosphorus in PDB 1a1c: C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N-Me(-(CH2)3- Cyclopentyl))

All present enzymatic activity of C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N-Me(-(CH2)3- Cyclopentyl)):
2.7.1.112;

The structure of C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N-Me(-(CH2)3- Cyclopentyl)), PDB code: 1a1c 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 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.700, 66.900, 75.600, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / n/a

The binding sites of Phosphorus atom in the C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N-Me(-(CH2)3- Cyclopentyl)) (pdb code 1a1c). 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-Me(-(CH2)3- Cyclopentyl)), PDB code: 1a1c:
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-(N-Me(-(CH2)3- Cyclopentyl))


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-Me(-(CH2)3- Cyclopentyl)) within 5.0Å range: probe atom residue distance (Å) B Occ C:P101 b:12.1 occ:1.00 P C:PTR101 0.0 12.1 1.0 O1P C:PTR101 1.4 17.0 1.0 O2P C:PTR101 1.5 13.3 1.0 O3P C:PTR101 1.5 14.7 1.0 OH C:PTR101 1.8 9.7 1.0 CZ C:PTR101 2.8 12.7 1.0 HH22 A:ARG178 2.9 0.0 1.0 HH12 A:ARG178 3.0 0.0 1.0 HE A:ARG158 3.0 0.0 1.0 H A:GLU181 3.3 0.0 1.0 HH21 A:ARG158 3.4 0.0 1.0 CE1 C:PTR101 3.5 14.6 1.0 H A:THR182 3.5 0.0 1.0 CE2 C:PTR101 3.7 11.7 1.0 H1 C:HOH501 3.8 0.0 1.0 HG A:SER180 3.8 0.0 1.0 O C:HOH501 3.8 23.9 1.0 NH2 A:ARG178 3.8 12.6 1.0 NH1 A:ARG178 3.9 9.5 1.0 OG A:SER180 3.9 17.7 1.0 NE A:ARG158 4.0 20.7 1.0 HG1 A:THR182 4.1 0.0 1.0 N A:GLU181 4.1 25.6 1.0 CB A:THR182 4.2 25.6 1.0 NH2 A:ARG158 4.3 18.5 1.0 CZ A:ARG178 4.3 15.2 1.0 OG1 A:THR182 4.4 28.2 1.0 CB A:ARG158 4.4 13.3 1.0 N A:THR182 4.4 29.7 1.0 CA A:SER180 4.5 19.2 1.0 HH21 A:ARG178 4.6 0.0 1.0 HH11 A:ARG178 4.7 0.0 1.0 CZ A:ARG158 4.7 15.7 1.0 CD1 C:PTR101 4.7 16.0 1.0 CG A:ARG158 4.8 14.4 1.0 C A:SER180 4.8 23.4 1.0 CB A:SER180 4.8 15.9 1.0 H2 C:HOH501 4.8 0.0 1.0 CD A:ARG158 4.8 16.1 1.0 CD2 C:PTR101 4.9 12.9 1.0 CB A:GLU181 4.9 25.2 1.0 CG A:GLU181 4.9 23.5 1.0 CG2 A:THR182 5.0 31.4 1.0 CA A:GLU181 5.0 27.7 1.0

Phosphorus binding site 2 out of 2 in the C-Src (SH2 Domain) Complexed with Ace-Phosphotyr-Glu-(N-Me(-(CH2)3- Cyclopentyl))


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-Me(-(CH2)3- Cyclopentyl)) within 5.0Å range: probe atom residue distance (Å) B Occ D:P101 b:34.6 occ:1.00 P D:PTR101 0.0 34.6 1.0 O1P D:PTR101 1.5 36.4 1.0 O2P D:PTR101 1.5 32.3 1.0 O3P D:PTR101 1.5 39.4 1.0 OH D:PTR101 1.7 30.0 1.0 CZ D:PTR101 2.6 29.4 1.0 HH12 B:ARG178 2.8 0.0 1.0 HH22 B:ARG178 2.8 0.0 1.0 H B:GLU181 3.1 0.0 1.0 HE B:ARG158 3.4 0.0 1.0 H B:THR182 3.4 0.0 1.0 CE1 D:PTR101 3.4 24.1 1.0 HG1 B:THR182 3.5 0.0 1.0 CE2 D:PTR101 3.5 26.4 1.0 HH21 B:ARG158 3.6 0.0 1.0 NH1 B:ARG178 3.7 16.0 1.0 NH2 B:ARG178 3.7 15.4 1.0 OG B:SER180 3.7 32.1 1.0 OG1 B:THR182 4.0 49.6 1.0 N B:GLU181 4.0 40.8 1.0 CZ B:ARG178 4.2 18.1 1.0 CB B:THR182 4.3 48.1 1.0 HG B:SER180 4.3 0.0 1.0 NE B:ARG158 4.3 39.3 1.0 N B:THR182 4.4 49.1 1.0 CA B:SER180 4.4 32.9 1.0 HH11 B:ARG178 4.5 0.0 1.0 HH21 B:ARG178 4.5 0.0 1.0 NH2 B:ARG158 4.5 47.6 1.0 CB B:ARG158 4.6 24.1 1.0 CB B:GLU181 4.6 47.1 1.0 OE2 B:GLU181 4.6 52.7 1.0 CD1 D:PTR101 4.7 26.7 1.0 C B:SER180 4.7 36.7 1.0 CD2 D:PTR101 4.7 28.7 1.0 CB B:SER180 4.7 28.7 1.0 CG B:GLU181 4.8 51.6 1.0 CA B:GLU181 4.9 45.1 1.0 CZ B:ARG158 5.0 43.4 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