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Aluminium in PDB 1l7n: Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)

Enzymatic activity of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)

All present enzymatic activity of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex):
3.1.3.3;

Protein crystallography data

The structure of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex), PDB code: 1l7n was solved by W.Wang, H.S.Cho, R.Kim, J.Jancarik, H.Yokota, H.H.Nguyen, I.V.Grigoriev, D.E.Wemmer, S.H.Kim, Berkeley Structural Genomics Center (Bsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.195, 70.576, 90.831, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 22.5

Other elements in 1l7n:

The structure of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) also contains other interesting chemical elements:

Fluorine (F) 14 atoms
Magnesium (Mg) 2 atoms

Aluminium Binding Sites:

The binding sites of Aluminium atom in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) (pdb code 1l7n). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 4 binding sites of Aluminium where determined in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex), PDB code: 1l7n:
Jump to Aluminium binding site number: 1; 2; 3; 4;

Aluminium binding site 1 out of 4 in 1l7n

Go back to Aluminium Binding Sites List in 1l7n
Aluminium binding site 1 out of 4 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Al220

b:19.1
occ:0.56
 AL A:ALF220 0.0 19.1 0.6
AL A:AF3219 0.3 24.4 0.4
F1 A:AF3219 1.5 24.1 0.4
F3 A:AF3219 1.7 24.8 0.4
F3 A:ALF220 1.8 17.6 0.6
F2 A:ALF220 1.8 15.7 0.6
F4 A:ALF220 1.8 14.7 0.6
F1 A:ALF220 1.8 15.4 0.6
F2 A:AF3219 2.0 22.7 0.4
OD1 A:ASP11 2.1 20.0 1.0
O A:HOH801 2.2 23.8 1.0
CG A:ASP11 3.1 19.4 1.0
MG A:MG221 3.4 20.9 1.0
OD2 A:ASP11 3.5 21.6 1.0
O A:HOH863 3.6 19.4 1.0
NZ A:LYS144 3.6 20.8 1.0
ND2 A:ASN170 3.9 22.1 1.0
O A:HOH914 3.9 17.4 1.0
OG A:SER99 4.0 15.7 1.0
N A:GLY100 4.0 15.9 1.0
N A:ASP13 4.0 13.8 1.0
OD1 A:ASP13 4.1 17.6 1.0
N A:PHE12 4.2 13.7 1.0
CB A:ASP13 4.2 14.4 1.0
OD1 A:ASN170 4.4 23.6 1.0
O A:ASP13 4.5 16.7 1.0
CB A:ASP11 4.5 17.9 1.0
CA A:SER99 4.5 14.8 1.0
CB A:SER99 4.6 15.9 1.0
CG A:ASP13 4.6 15.0 1.0
O A:HOH895 4.6 17.0 1.0
CA A:ASP13 4.6 16.1 1.0
CG A:ASN170 4.6 22.9 1.0
CE A:LYS144 4.7 19.9 1.0
C A:SER99 4.8 15.4 1.0
CA A:GLY100 4.8 16.1 1.0
C A:PHE12 4.8 13.8 1.0
CA A:PHE12 4.9 13.8 1.0
N A:GLY101 4.9 15.7 1.0
OD1 A:ASP171 4.9 19.3 1.0
CA A:ASP11 5.0 15.2 1.0

Aluminium binding site 2 out of 4 in 1l7n

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Aluminium binding site 2 out of 4 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Al219

b:24.4
occ:0.41
 AL A:AF3219 0.0 24.4 0.4
AL A:ALF220 0.3 19.1 0.6
F2 A:ALF220 1.5 15.7 0.6
F2 A:AF3219 1.7 22.7 0.4
F3 A:AF3219 1.7 24.8 0.4
F1 A:AF3219 1.7 24.1 0.4
F4 A:ALF220 1.7 14.7 0.6
F3 A:ALF220 1.9 17.6 0.6
F1 A:ALF220 2.0 15.4 0.6
OD1 A:ASP11 2.1 20.0 1.0
O A:HOH801 2.2 23.8 1.0
CG A:ASP11 3.1 19.4 1.0
OD2 A:ASP11 3.4 21.6 1.0
MG A:MG221 3.4 20.9 1.0
O A:HOH863 3.7 19.4 1.0
N A:ASP13 3.8 13.8 1.0
NZ A:LYS144 3.8 20.8 1.0
OG A:SER99 3.8 15.7 1.0
OD1 A:ASP13 3.9 17.6 1.0
N A:PHE12 4.0 13.7 1.0
O A:HOH914 4.0 17.4 1.0
CB A:ASP13 4.1 14.4 1.0
N A:GLY100 4.1 15.9 1.0
ND2 A:ASN170 4.2 22.1 1.0
O A:ASP13 4.3 16.7 1.0
CB A:SER99 4.4 15.9 1.0
CA A:ASP13 4.4 16.1 1.0
CB A:ASP11 4.4 17.9 1.0
CG A:ASP13 4.4 15.0 1.0
CA A:SER99 4.4 14.8 1.0
C A:PHE12 4.6 13.8 1.0
CA A:PHE12 4.6 13.8 1.0
O A:HOH895 4.7 17.0 1.0
OD1 A:ASN170 4.7 23.6 1.0
CB A:PHE12 4.7 12.8 1.0
C A:SER99 4.8 15.4 1.0
C A:ASP11 4.8 14.9 1.0
CE A:LYS144 4.8 19.9 1.0
CA A:ASP11 4.9 15.2 1.0
C A:ASP13 4.9 15.6 1.0
N A:GLY101 4.9 15.7 1.0
CG A:ASN170 4.9 22.9 1.0
CA A:GLY100 4.9 16.1 1.0

Aluminium binding site 3 out of 4 in 1l7n

Go back to Aluminium Binding Sites List in 1l7n
Aluminium binding site 3 out of 4 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 3 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Al720

b:17.3
occ:0.56
 AL B:ALF720 0.0 17.3 0.6
AL B:AF3719 0.3 25.3 0.4
F2 B:AF3719 1.5 26.5 0.4
F1 B:AF3719 1.7 26.6 0.4
F4 B:ALF720 1.8 16.0 0.6
F3 B:ALF720 1.8 14.3 0.6
F2 B:ALF720 1.8 14.6 0.6
F1 B:ALF720 1.8 14.3 0.6
F3 B:AF3719 2.0 23.9 0.4
OD1 B:ASP511 2.0 18.1 1.0
O B:HOH802 2.3 23.5 1.0
CG B:ASP511 3.1 17.8 1.0
O B:HOH1008 3.3 23.2 1.0
MG B:MG721 3.3 17.5 1.0
OD2 B:ASP511 3.5 19.8 1.0
NZ B:LYS644 3.5 14.7 1.0
ND2 B:ASN670 3.9 14.8 1.0
O B:HOH864 4.0 16.7 1.0
N B:GLY600 4.0 11.8 1.0
OG B:SER599 4.0 16.5 1.0
N B:ASP513 4.1 12.6 1.0
OD1 B:ASP513 4.1 17.4 1.0
N B:PHE512 4.1 13.2 1.0
CB B:ASP513 4.3 13.6 1.0
CB B:ASP511 4.4 15.0 1.0
CA B:SER599 4.4 13.2 1.0
OD1 B:ASN670 4.5 16.6 1.0
O B:ASP513 4.5 14.6 1.0
CE B:LYS644 4.5 13.5 1.0
CB B:SER599 4.6 12.8 1.0
CG B:ASN670 4.6 17.1 1.0
O B:HOH877 4.6 16.4 1.0
CA B:ASP513 4.7 13.7 1.0
CG B:ASP513 4.7 15.0 1.0
C B:SER599 4.8 12.7 1.0
C B:PHE512 4.8 12.8 1.0
CA B:ASP511 4.9 13.5 1.0
CA B:PHE512 4.9 13.2 1.0
CA B:GLY600 4.9 12.2 1.0
C B:ASP511 4.9 13.6 1.0
N B:GLY601 5.0 13.0 1.0

Aluminium binding site 4 out of 4 in 1l7n

Go back to Aluminium Binding Sites List in 1l7n
Aluminium binding site 4 out of 4 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 4 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Al719

b:25.3
occ:0.38
 AL B:AF3719 0.0 25.3 0.4
AL B:ALF720 0.3 17.3 0.6
F4 B:ALF720 1.5 16.0 0.6
F3 B:AF3719 1.7 23.9 0.4
F2 B:AF3719 1.7 26.5 0.4
F1 B:AF3719 1.7 26.6 0.4
F1 B:ALF720 1.7 14.3 0.6
F2 B:ALF720 1.9 14.6 0.6
F3 B:ALF720 2.0 14.3 0.6
OD1 B:ASP511 2.0 18.1 1.0
O B:HOH802 2.2 23.5 1.0
CG B:ASP511 3.1 17.8 1.0
MG B:MG721 3.4 17.5 1.0
OD2 B:ASP511 3.5 19.8 1.0
O B:HOH1008 3.5 23.2 1.0
NZ B:LYS644 3.7 14.7 1.0
N B:ASP513 3.8 12.6 1.0
OG B:SER599 3.9 16.5 1.0
OD1 B:ASP513 3.9 17.4 1.0
N B:PHE512 4.0 13.2 1.0
O B:HOH864 4.0 16.7 1.0
N B:GLY600 4.0 11.8 1.0
CB B:ASP513 4.1 13.6 1.0
ND2 B:ASN670 4.1 14.8 1.0
CA B:SER599 4.4 13.2 1.0
CB B:ASP511 4.4 15.0 1.0
O B:ASP513 4.4 14.6 1.0
CB B:SER599 4.5 12.8 1.0
CA B:ASP513 4.5 13.7 1.0
CG B:ASP513 4.5 15.0 1.0
C B:PHE512 4.6 12.8 1.0
CA B:PHE512 4.7 13.2 1.0
O B:HOH877 4.7 16.4 1.0
CE B:LYS644 4.7 13.5 1.0
C B:SER599 4.7 12.7 1.0
OD1 B:ASN670 4.7 16.6 1.0
CB B:PHE512 4.8 12.9 1.0
C B:ASP511 4.8 13.6 1.0
CA B:ASP511 4.8 13.5 1.0
N B:GLY601 4.9 13.0 1.0
CG B:ASN670 4.9 17.1 1.0
CA B:GLY600 4.9 12.2 1.0
C B:ASP513 4.9 13.8 1.0

Reference:

W.Wang, H.S.Cho, R.Kim, J.Jancarik, H.Yokota, H.H.Nguyen, I.V.Grigoriev, D.E.Wemmer, S.H.Kim. Structural Characterization of the Reaction Pathway in Phosphoserine Phosphatase: Crystallographic "Snapshots" of Intermediate States. J.Mol.Biol. V. 319 421 2002.
ISSN: ISSN 0022-2836
PubMed: 12051918
DOI: 10.1016/S0022-2836(02)00324-8
Page generated: Sat Dec 12 01:30:19 2020

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