Phosphorus in PDB 1a9x: Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis

Protein crystallography data

The structure of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis, PDB code: 1a9x was solved by J.Thoden, H.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 152.100, 164.400, 332.300, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / n/a

Phosphorus Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 31;

Binding sites:

The binding sites of Phosphorus atom in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis (pdb code 1a9x). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 31 binding sites of Phosphorus where determined in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis, PDB code: 1a9x:
Jump to Phosphorus binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Phosphorus binding site 1 out of 31 in 1a9x

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Phosphorus binding site 1 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P1980

b:64.3
occ:1.00
P A:PO41980 0.0 64.3 1.0
O2 A:PO41980 1.5 65.8 1.0
O3 A:PO41980 1.6 59.4 1.0
O1 A:PO41980 1.6 55.7 1.0
O4 A:PO41980 1.6 66.8 1.0
O A:HOH2282 4.2 21.4 1.0
O A:HOH2747 4.5 54.0 1.0
OE1 A:GLN491 4.6 31.6 1.0
CD A:GLN491 4.9 18.9 1.0
NE2 A:GLN491 4.9 27.3 1.0
CL A:CL1936 5.0 29.5 1.0

Phosphorus binding site 2 out of 31 in 1a9x

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Phosphorus binding site 2 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P1981

b:64.7
occ:1.00
P A:PO41981 0.0 64.7 1.0
O3 A:PO41981 1.6 51.4 1.0
O4 A:PO41981 1.6 60.8 1.0
O1 A:PO41981 1.6 59.7 1.0
O2 A:PO41981 1.6 57.0 1.0
O A:LEU801 3.8 27.8 1.0
C A:LEU801 4.6 27.3 1.0
O A:HOH2830 4.6 53.0 1.0
O A:HOH2378 4.7 21.3 1.0
C A:THR800 4.8 56.5 1.0
O A:THR800 4.9 34.9 1.0
O A:ALA798 5.0 41.8 1.0

Phosphorus binding site 3 out of 31 in 1a9x

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Phosphorus binding site 3 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P1982

b:68.0
occ:1.00
P A:PO41982 0.0 68.0 1.0
O4 A:PO41982 1.6 58.1 1.0
O1 A:PO41982 1.6 62.6 1.0
O2 A:PO41982 1.6 56.6 1.0
O3 A:PO41982 1.6 58.2 1.0
O A:ASP592 4.3 58.6 1.0
CZ A:TYR594 4.6 53.7 1.0
CD A:GLU560 4.6 0.0 1.0
OE2 A:GLU560 4.7 0.0 1.0
CE2 A:TYR594 4.8 43.9 1.0
OH A:TYR594 4.8 41.9 1.0
OE1 A:GLU560 4.8 70.0 1.0
CE1 A:TYR594 4.9 33.6 1.0
CG A:GLU560 5.0 85.8 1.0

Phosphorus binding site 4 out of 31 in 1a9x

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Phosphorus binding site 4 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 4 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P1906

b:29.5
occ:1.00
P A:PO41906 0.0 29.5 1.0
O3 A:PO41906 1.5 19.5 1.0
O4 A:PO41906 1.5 17.4 1.0
O1 A:PO41906 1.5 20.2 1.0
O2 A:PO41906 1.5 18.7 1.0
O1B A:ADP1900 3.1 17.8 1.0
MN A:MN1902 3.3 20.8 1.0
MN A:MN1901 3.4 24.4 1.0
ND2 A:ASN301 3.6 15.5 1.0
NH1 A:ARG306 3.6 22.2 1.0
OE2 A:GLU299 3.8 16.0 1.0
NH2 A:ARG303 3.9 15.6 1.0
N A:GLY175 3.9 21.0 1.0
OD1 A:ASN301 3.9 16.8 1.0
O A:HOH2124 4.0 22.2 1.0
CG A:ASN301 4.0 42.0 1.0
NH2 A:ARG306 4.1 15.8 1.0
CB A:MET174 4.1 16.3 1.0
O3B A:ADP1900 4.2 18.4 1.0
K A:K1942 4.2 35.6 1.0
PB A:ADP1900 4.3 20.8 1.0
CZ A:ARG306 4.3 32.3 1.0
NE2 A:HIS243 4.3 19.0 1.0
CE1 A:HIS243 4.3 16.2 1.0
OE1 A:GLN285 4.4 30.5 1.0
O A:HOH2016 4.4 24.4 1.0
CA A:GLY175 4.7 15.1 1.0
CA A:MET174 4.7 20.5 1.0
C A:MET174 4.8 26.4 1.0
SD A:MET174 4.9 34.0 1.0
CD A:GLU299 4.9 31.9 1.0
CZ A:ARG303 5.0 14.6 1.0
O2B A:ADP1900 5.0 16.9 1.0

Phosphorus binding site 5 out of 31 in 1a9x

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Phosphorus binding site 5 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 5 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P1900

b:20.8
occ:1.00
PB A:ADP1900 0.0 20.8 1.0
O2B A:ADP1900 1.5 16.9 1.0
O1B A:ADP1900 1.5 17.8 1.0
O3B A:ADP1900 1.5 18.4 1.0
O3A A:ADP1900 1.6 23.0 1.0
PA A:ADP1900 2.9 23.0 1.0
O1A A:ADP1900 3.1 16.5 1.0
MN A:MN1902 3.2 20.8 1.0
MN A:MN1901 3.4 24.4 1.0
O A:HOH2672 3.6 35.1 1.0
OE2 A:GLU299 3.7 16.0 1.0
NE2 A:HIS243 3.8 19.0 1.0
N A:GLY176 3.8 18.0 1.0
NH2 A:ARG129 3.8 23.4 1.0
O5' A:ADP1900 3.8 17.9 1.0
O1 A:PO41906 3.8 20.2 1.0
O2A A:ADP1900 3.9 23.6 1.0
N A:GLY175 3.9 21.0 1.0
C5' A:ADP1900 3.9 20.9 1.0
O3 A:PO41906 4.0 19.5 1.0
CA A:MET174 4.1 20.5 1.0
CD A:GLU299 4.2 31.9 1.0
C A:MET174 4.2 26.4 1.0
O2 A:PO41906 4.3 18.7 1.0
OE1 A:GLU299 4.3 21.7 1.0
P A:PO41906 4.3 29.5 1.0
CD2 A:HIS243 4.3 13.8 1.0
CA A:GLY176 4.5 14.7 1.0
O A:HOH2674 4.6 25.8 1.0
C A:GLY175 4.7 12.5 1.0
CA A:GLY175 4.7 15.1 1.0
O A:THR173 4.7 25.8 1.0
CB A:MET174 4.8 16.3 1.0
CZ A:ARG129 4.8 70.2 1.0
NH1 A:ARG129 4.8 34.5 1.0
CE1 A:HIS243 4.9 16.2 1.0

Phosphorus binding site 6 out of 31 in 1a9x

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Phosphorus binding site 6 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 6 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P1900

b:23.0
occ:1.00
PA A:ADP1900 0.0 23.0 1.0
O2A A:ADP1900 1.4 23.6 1.0
O1A A:ADP1900 1.5 16.5 1.0
O3A A:ADP1900 1.5 23.0 1.0
O5' A:ADP1900 1.6 17.9 1.0
C5' A:ADP1900 2.6 20.9 1.0
PB A:ADP1900 2.9 20.8 1.0
MN A:MN1902 3.3 20.8 1.0
O1B A:ADP1900 3.4 17.8 1.0
O3B A:ADP1900 3.5 18.4 1.0
C4' A:ADP1900 3.8 29.4 1.0
OE2 A:GLU299 3.8 16.0 1.0
CD A:GLU299 3.9 31.9 1.0
CD A:ARG169 3.9 21.4 1.0
O2B A:ADP1900 3.9 16.9 1.0
O A:HOH2672 4.0 35.1 1.0
CG A:GLU299 4.0 19.2 1.0
C3' A:ADP1900 4.1 18.5 1.0
NH1 A:ARG169 4.1 26.6 1.0
NE2 A:GLN285 4.3 21.8 1.0
OE1 A:GLU299 4.3 21.7 1.0
NH1 A:ARG129 4.4 34.5 1.0
NH2 A:ARG129 4.4 23.4 1.0
O4' A:ADP1900 4.5 23.5 1.0
CG2 A:ILE298 4.5 16.8 1.0
OE1 A:GLN285 4.6 30.5 1.0
CB A:GLU299 4.6 14.0 1.0
O3' A:ADP1900 4.6 22.8 1.0
C8 A:ADP1900 4.7 25.8 1.0
CZ A:ARG129 4.8 70.2 1.0
CD A:GLN285 4.9 53.0 1.0
CG A:ARG169 4.9 22.7 1.0
NE A:ARG169 4.9 24.2 1.0

Phosphorus binding site 7 out of 31 in 1a9x

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Phosphorus binding site 7 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 7 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P1910

b:28.5
occ:1.00
PB A:ADP1910 0.0 28.5 1.0
O2B A:ADP1910 1.5 33.8 1.0
O1B A:ADP1910 1.5 49.1 1.0
O3B A:ADP1910 1.5 26.2 1.0
O3A A:ADP1910 1.6 37.0 1.0
PA A:ADP1910 2.9 29.1 1.0
O2A A:ADP1910 3.2 30.6 1.0
MN A:MN1911 3.3 34.4 1.0
NE2 A:HIS788 3.7 23.7 1.0
C5' A:ADP1910 3.7 20.9 1.0
O5' A:ADP1910 3.7 20.9 1.0
K A:K1912 3.8 43.1 1.0
OE2 A:GLU841 3.8 37.9 1.0
O1A A:ADP1910 3.9 50.3 1.0
O A:HOH2561 3.9 36.5 1.0
O A:HOH2810 4.1 60.0 1.0
CE A:MET725 4.2 31.6 1.0
OE1 A:GLU841 4.3 47.8 1.0
O A:HOH2791 4.4 45.6 1.0
CD A:GLU841 4.4 23.5 1.0
CD2 A:HIS788 4.5 37.9 1.0
CE1 A:HIS788 4.6 19.9 1.0
O A:HOH2319 4.7 43.8 1.0

Phosphorus binding site 8 out of 31 in 1a9x

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Phosphorus binding site 8 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 8 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P1910

b:29.1
occ:1.00
PA A:ADP1910 0.0 29.1 1.0
O2A A:ADP1910 1.5 30.6 1.0
O1A A:ADP1910 1.5 50.3 1.0
O3A A:ADP1910 1.6 37.0 1.0
O5' A:ADP1910 1.6 20.9 1.0
C5' A:ADP1910 2.6 20.9 1.0
PB A:ADP1910 2.9 28.5 1.0
MN A:MN1911 3.4 34.4 1.0
O3B A:ADP1910 3.4 26.2 1.0
NH1 A:ARG715 3.6 94.3 1.0
O2B A:ADP1910 3.6 33.8 1.0
C4' A:ADP1910 3.8 26.2 1.0
O A:HOH2810 3.8 60.0 1.0
OE2 A:GLU841 3.8 37.9 1.0
CE A:MET725 3.9 31.6 1.0
O1B A:ADP1910 4.0 49.1 1.0
O A:HOH2845 4.0 42.6 1.0
CD A:GLU841 4.1 23.5 1.0
C3' A:ADP1910 4.1 25.3 1.0
OE1 A:GLU841 4.3 47.8 1.0
O4' A:ADP1910 4.3 23.7 1.0
CG2 A:ILE840 4.4 30.6 1.0
C8 A:ADP1910 4.4 27.9 1.0
OE1 A:GLN829 4.6 25.0 1.0
O3' A:ADP1910 4.7 21.4 1.0
CZ A:ARG715 4.7 61.9 1.0
CG A:GLU841 4.8 32.6 1.0
CB A:GLU841 4.9 34.1 1.0

Phosphorus binding site 9 out of 31 in 1a9x

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Phosphorus binding site 9 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 9 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:P3906

b:20.5
occ:1.00
P C:PO43906 0.0 20.5 1.0
O3 C:PO43906 1.5 13.8 1.0
O4 C:PO43906 1.5 15.1 1.0
O2 C:PO43906 1.5 9.4 1.0
O1 C:PO43906 1.5 27.5 1.0
O1B C:ADP3900 3.3 20.1 1.0
MN C:MN3902 3.4 18.4 1.0
MN C:MN3901 3.4 19.6 1.0
NH1 C:ARG2306 3.5 18.7 1.0
NH2 C:ARG2303 3.7 15.8 1.0
OE2 C:GLU2299 3.8 15.1 1.0
ND2 C:ASN2301 3.9 13.8 1.0
NH2 C:ARG2306 3.9 14.6 1.0
O C:HOH4122 4.0 20.4 1.0
K C:K3942 4.0 46.0 1.0
N C:GLY2175 4.1 31.4 1.0
CB C:MET2174 4.1 23.3 1.0
O C:HOH4015 4.1 22.9 1.0
CZ C:ARG2306 4.2 20.8 1.0
O3B C:ADP3900 4.2 15.1 1.0
CG C:ASN2301 4.2 23.2 1.0
OD1 C:ASN2301 4.2 12.5 1.0
CE1 C:HIS2243 4.3 16.4 1.0
PB C:ADP3900 4.3 18.1 1.0
NE2 C:HIS2243 4.4 14.0 1.0
O C:HOH4661 4.4 23.9 1.0
OE1 C:GLN2285 4.4 17.2 1.0
SD C:MET2174 4.7 30.1 1.0
CZ C:ARG2303 4.8 12.5 1.0
CA C:MET2174 4.8 27.6 1.0
CG C:MET2174 4.8 18.1 1.0
CA C:GLY2175 4.9 9.5 1.0
CD C:GLU2299 4.9 41.5 1.0
C C:MET2174 4.9 20.8 1.0
O C:HOH4447 5.0 21.1 1.0

Phosphorus binding site 10 out of 31 in 1a9x

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Phosphorus binding site 10 out of 31 in the Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 10 of Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:P3980

b:62.9
occ:1.00
P C:PO43980 0.0 62.9 1.0
O1 C:PO43980 1.5 54.3 1.0
O3 C:PO43980 1.6 60.8 1.0
O4 C:PO43980 1.6 69.5 1.0
O2 C:PO43980 1.6 57.4 1.0
O C:GLN2519 4.0 55.5 1.0
O C:ASP2518 4.1 25.4 1.0
O C:HOH4543 4.8 29.2 1.0
C C:GLN2519 4.8 36.9 1.0
CA C:GLN2519 4.9 31.0 1.0

Reference:

J.B.Thoden, S.G.Miran, J.C.Phillips, A.J.Howard, F.M.Raushel, H.M.Holden. Carbamoyl Phosphate Synthetase: Caught in the Act of Glutamine Hydrolysis. Biochemistry V. 37 8825 1998.
ISSN: ISSN 0006-2960
PubMed: 9636022
DOI: 10.1021/BI9807761
Page generated: Fri Sep 25 12:38:59 2020

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