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Caesium in PDB 2rif: Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp

Protein crystallography data

The structure of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp, PDB code: 2rif was solved by T.M.Lee, N.P.King, M.R.Sawaya, D.Cascio, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.91 / 2.35
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 55.726, 55.726, 336.351, 90.00, 90.00, 90.00
R / Rfree (%) 23.9 / 29.4

Caesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Caesium atom in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp (pdb code 2rif). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 11 binding sites of Caesium where determined in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp, PDB code: 2rif:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Caesium binding site 1 out of 11 in 2rif

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Caesium binding site 1 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs139

b:59.6
occ:0.50
O C:HOH314 2.7 47.6 1.0
O C:HOH307 2.9 41.9 1.0
O A:HOH314 3.0 38.6 1.0
O A:ALA74 3.4 50.2 1.0
O A:HOH313 3.4 44.8 1.0
OD1 A:ASN75 3.7 53.5 1.0
O A:ILE73 3.8 50.0 1.0
CS C:CS139 3.9 41.3 0.5
C A:ILE73 4.1 50.3 1.0
O A:PRO72 4.1 52.3 1.0
C A:ALA74 4.3 49.5 1.0
CG A:ASN75 4.3 50.0 1.0
CA A:ILE73 4.5 50.4 1.0
ND2 A:ASN75 4.5 47.3 1.0
N A:ALA74 4.6 48.8 1.0
CD C:ARG58 4.8 61.9 1.0
CA A:ALA74 5.0 50.3 1.0
C A:PRO72 5.0 52.9 1.0

Caesium binding site 2 out of 11 in 2rif

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Caesium binding site 2 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs140

b:0.6
occ:0.50
O A:LEU8 3.4 75.4 1.0
O A:GLU6 4.0 74.7 1.0
O A:SER5 4.5 74.6 1.0
C A:LEU8 4.6 74.9 1.0
C A:GLU6 4.7 75.0 1.0
CA A:GLU6 4.9 75.5 1.0

Caesium binding site 3 out of 11 in 2rif

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Caesium binding site 3 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs139

b:78.8
occ:0.85
O B:HOH317 2.6 31.9 1.0
O B:HOH316 2.8 44.4 1.0
NE2 B:HIS87 2.8 63.4 1.0
CE1 B:HIS87 3.5 63.5 1.0
CD2 B:HIS87 3.7 62.0 1.0
ND1 B:HIS87 4.5 63.4 1.0
CG B:HIS87 4.6 60.5 1.0

Caesium binding site 4 out of 11 in 2rif

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Caesium binding site 4 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs140

b:64.1
occ:0.50
O B:HOH319 2.6 35.5 1.0
O B:HOH318 3.2 33.9 1.0
OD1 B:ASN75 3.3 54.6 1.0
O B:ALA74 3.6 46.0 1.0
O B:PRO72 3.8 53.3 1.0
O B:ILE73 4.0 55.1 1.0
C B:ILE73 4.1 52.7 1.0
CG B:ASN75 4.2 53.8 1.0
C B:ALA74 4.4 50.0 1.0
CA B:ILE73 4.4 52.9 1.0
ND2 B:ASN75 4.7 51.9 1.0
N B:ALA74 4.7 50.3 1.0
C B:PRO72 4.8 53.7 1.0

Caesium binding site 5 out of 11 in 2rif

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Caesium binding site 5 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs141

b:84.9
occ:0.70
O B:ARG95 3.5 49.8 1.0
O B:ARG94 4.0 51.0 1.0
C B:ARG95 4.4 51.1 1.0
CA B:ARG95 4.6 51.9 1.0

Caesium binding site 6 out of 11 in 2rif

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Caesium binding site 6 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs142

b:62.0
occ:0.50
O B:HIS96 3.4 49.9 1.0
O4' B:AMP301 3.6 38.8 1.0
O B:ASN97 3.8 52.3 1.0
CG2 B:ILE98 3.9 50.8 1.0
C4' B:AMP301 4.3 40.0 1.0
C B:ASN97 4.4 52.5 1.0
C1' B:AMP301 4.6 38.7 1.0
C B:HIS96 4.6 51.6 1.0
CB B:ASN97 4.9 53.1 1.0

Caesium binding site 7 out of 11 in 2rif

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Caesium binding site 7 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs139

b:41.3
occ:0.50
O C:HOH314 2.8 47.6 1.0
O C:ALA74 3.1 49.5 1.0
OD1 C:ASN75 3.5 53.7 1.0
O C:ILE73 3.6 51.2 1.0
O A:HOH314 3.7 38.6 1.0
C C:ILE73 3.8 50.2 1.0
O C:PRO72 3.9 50.9 1.0
CS A:CS139 3.9 59.6 0.5
C C:ALA74 4.0 50.1 1.0
CG C:ASN75 4.1 50.6 1.0
CA C:ILE73 4.3 49.9 1.0
ND2 C:ASN75 4.3 48.6 1.0
N C:ALA74 4.4 50.6 1.0
NH2 A:ARG58 4.5 71.2 1.0
O C:HOH307 4.7 41.9 1.0
CD A:ARG58 4.7 62.9 1.0
CA C:ALA74 4.8 50.4 1.0
C C:PRO72 4.8 50.9 1.0
N C:ASN75 4.9 51.0 1.0
OE1 A:GLN62 4.9 59.1 1.0

Caesium binding site 8 out of 11 in 2rif

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Caesium binding site 8 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs140

b:52.1
occ:0.50
O C:HOH313 3.1 26.5 1.0
O C:HOH317 3.2 49.3 1.0
O4' C:AMP301 3.6 34.3 1.0
O C:HIS96 3.6 54.5 1.0
O C:ASN97 3.7 57.6 1.0
CG2 C:ILE98 3.9 53.5 1.0
C4' C:AMP301 4.1 34.8 1.0
C C:ASN97 4.4 54.8 1.0
NE B:ARG32 4.4 59.4 1.0
NH2 B:ARG32 4.5 58.7 1.0
C1' C:AMP301 4.5 33.0 1.0
C C:HIS96 4.8 54.7 1.0
CB C:ASN97 4.9 57.4 1.0
O C:HOH315 4.9 41.3 1.0
CZ B:ARG32 4.9 59.8 1.0

Caesium binding site 9 out of 11 in 2rif

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Caesium binding site 9 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs141

b:0.8
occ:0.50
O C:LEU8 3.4 66.6 1.0
O C:SER5 3.6 64.5 1.0
O C:GLU6 4.3 65.2 1.0
C C:LEU8 4.6 66.6 1.0
C C:GLU6 4.6 65.2 1.0
CA C:GLU6 4.7 65.5 1.0
C C:SER5 4.7 65.0 1.0
CB C:LEU8 4.9 64.3 1.0
N C:LEU8 5.0 64.1 1.0

Caesium binding site 10 out of 11 in 2rif

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Caesium binding site 10 out of 11 in the Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 10 of Cbs Domain Protein PAE2072 From Pyrobaculum Aerophilum Complexed with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs139

b:95.2
occ:0.50
O D:HOH315 2.9 50.8 1.0
O D:ALA74 3.2 51.4 1.0
O D:PRO72 3.5 53.2 1.0
O D:MET71 4.1 55.3 1.0
C D:PRO72 4.4 53.1 1.0
C D:ALA74 4.4 53.2 1.0
CA D:PRO72 4.8 54.2 1.0
N D:ALA74 4.9 52.4 1.0

Reference:

N.P.King, T.M.Lee, M.R.Sawaya, D.Cascio, T.O.Yeates. Structures and Functional Implications of An Amp-Binding Cystathionine Beta-Synthase Domain Protein From A Hyperthermophilic Archaeon. J.Mol.Biol. V. 380 181 2008.
ISSN: ISSN 0022-2836
PubMed: 18513746
DOI: 10.1016/J.JMB.2008.04.073
Page generated: Sun Dec 13 10:55:53 2020

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