Phosphorus in PDB 1a08: C-Src (SH2 Domain) Complexed with Ace-Difluoro Phosphotyr-Glu-(N,N- Dipentyl Amine)

Enzymatic activity of 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;

Protein crystallography data

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

Phosphorus Binding Sites:

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 1a08

Go back to Phosphorus Binding Sites List in 1a08
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 1a08

Go back to Phosphorus Binding Sites List in 1a08
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

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 11:55:46 2020

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