Phosphorus in PDB 1aer: Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad

Protein crystallography data

The structure of Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad, PDB code: 1aer was solved by M.Li, F.Dyda, I.Benhar, I.Pastan, D.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 87.640, 87.640, 133.730, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 28.5

Phosphorus Binding Sites:

The binding sites of Phosphorus atom in the Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad (pdb code 1aer). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 3 binding sites of Phosphorus where determined in the Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad, PDB code: 1aer:
Jump to Phosphorus binding site number: 1; 2; 3;

Phosphorus binding site 1 out of 3 in 1aer

Go back to Phosphorus Binding Sites List in 1aer
Phosphorus binding site 1 out of 3 in the Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P700

b:41.5
occ:1.00
PA A:TAD700 0.0 41.5 1.0
O1A A:TAD700 1.5 41.6 1.0
O2A A:TAD700 1.5 40.7 1.0
O5B A:TAD700 1.6 44.4 1.0
C3 A:TAD700 1.8 40.6 1.0
C5B A:TAD700 2.7 32.7 1.0
PN A:TAD700 3.0 39.2 1.0
O1N A:TAD700 3.4 31.3 1.0
O2N A:TAD700 3.6 41.0 1.0
O A:HOH57 3.8 20.7 1.0
C4B A:TAD700 3.9 31.4 1.0
O5D A:TAD700 4.3 37.2 1.0
C3B A:TAD700 4.5 24.0 1.0
O A:HOH104 5.0 33.3 1.0

Phosphorus binding site 2 out of 3 in 1aer

Go back to Phosphorus Binding Sites List in 1aer
Phosphorus binding site 2 out of 3 in the Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P700

b:39.2
occ:1.00
PN A:TAD700 0.0 39.2 1.0
O2N A:TAD700 1.5 41.0 1.0
O1N A:TAD700 1.5 31.3 1.0
O5D A:TAD700 1.6 37.2 1.0
C3 A:TAD700 1.8 40.6 1.0
C5D A:TAD700 2.6 29.9 1.0
PA A:TAD700 3.0 41.5 1.0
O1A A:TAD700 3.1 41.6 1.0
O5B A:TAD700 3.7 44.4 1.0
C4D A:TAD700 3.9 24.0 1.0
O2A A:TAD700 4.2 40.7 1.0
O A:HOH104 4.3 33.3 1.0
O4D A:TAD700 4.3 22.0 1.0

Phosphorus binding site 3 out of 3 in 1aer

Go back to Phosphorus Binding Sites List in 1aer
Phosphorus binding site 3 out of 3 in the Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of Domain III of Pseudomonas Aeruginosa Exotoxin Complexed with Beta-Tad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P701

b:38.3
occ:1.00
P B:AMP701 0.0 38.3 1.0
O1P B:AMP701 1.5 38.8 1.0
O2P B:AMP701 1.6 42.4 1.0
O5' B:AMP701 1.7 40.8 1.0
O3P B:AMP701 1.8 38.3 0.0
C5' B:AMP701 2.8 33.3 1.0
CD B:ARG458 3.7 30.7 1.0
C4' B:AMP701 3.8 28.8 1.0
NH1 B:ARG458 4.2 32.5 1.0
O4' B:AMP701 4.5 25.2 1.0
CZ2 B:TRP558 4.7 12.8 1.0
CG B:ARG458 4.7 30.3 1.0
NE B:ARG458 4.7 31.4 1.0
CZ B:ARG458 4.9 35.7 1.0

Reference:

M.Li, F.Dyda, I.Benhar, I.Pastan, D.R.Davies. Crystal Structure of the Catalytic Domain of Pseudomonas Exotoxin A Complexed with A Nicotinamide Adenine Dinucleotide Analog: Implications For the Activation Process and For Adp Ribosylation Proc.Natl.Acad.Sci.Usa V. 93 6902 1996.
ISSN: ISSN 0027-8424
PubMed: 8692916
DOI: 10.1073/PNAS.93.14.6902
Page generated: Fri Sep 25 12:46:46 2020

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