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Chlorine in PDB 1t36: Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate

Enzymatic activity of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate

All present enzymatic activity of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate:
6.3.5.5;

Protein crystallography data

The structure of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate, PDB code: 1t36 was solved by J.B.Thoden, X.Huang, F.M.Raushel, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 152.500, 164.900, 333.100, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1t36:

The structure of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate also contains other interesting chemical elements:

Potassium (K) 22 atoms
Manganese (Mn) 12 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate (pdb code 1t36). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 27 binding sites of Chlorine where determined in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate, PDB code: 1t36:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 27 in 1t36

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Chlorine binding site 1 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1081

b:28.7
occ:1.00
 O A:HOH1169 3.2 25.4 1.0
O A:HOH1122 3.2 19.7 1.0
O A:HOH1123 3.2 31.0 1.0
N A:MET174 3.5 26.2 1.0
CG A:GLN93 3.6 24.7 1.0
CA A:THR173 3.8 33.1 1.0
C4 A:NET1090 3.8 25.0 1.0
CB A:GLN93 3.8 28.0 1.0
CB A:THR173 3.9 32.8 1.0
C1 A:NET1090 4.0 20.1 1.0
OG A:SER177 4.0 28.3 1.0
CB A:SER177 4.0 24.6 1.0
C A:THR173 4.1 32.0 1.0
O A:MET174 4.1 23.6 1.0
CG A:MET174 4.3 27.9 1.0
CA A:MET174 4.4 22.6 1.0
CG2 A:THR173 4.5 22.1 1.0
C2 A:NET1090 4.5 28.5 1.0
CD A:GLN93 4.6 34.1 1.0
C A:MET174 4.6 26.9 1.0
O A:PHE172 4.7 25.0 1.0
O A:HOH1170 4.7 30.3 1.0
C3 A:NET1090 4.9 23.0 1.0
N1 A:NET1090 5.0 38.0 1.0
CB A:MET174 5.0 23.2 1.0
N A:THR173 5.0 32.5 1.0
O A:HOH1120 5.0 21.6 1.0
SD A:MET174 5.0 32.0 1.0

Chlorine binding site 2 out of 27 in 1t36

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Chlorine binding site 2 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1083

b:66.1
occ:1.00
 O A:HOH1622 2.6 51.3 1.0
N A:TRP71 3.0 25.9 1.0
CD1 A:TRP71 3.5 35.6 1.0
CB A:TRP71 3.6 24.5 1.0
CA A:TRP71 3.8 24.1 1.0
C A:HIS70 3.9 32.0 1.0
CA A:HIS70 3.9 28.3 1.0
CG A:TRP71 3.9 26.6 1.0
O A:HOH1623 4.0 51.5 1.0
CG A:GLU101 4.3 35.6 1.0
SG A:CYS98 4.4 41.4 1.0
O A:ILE69 4.5 29.0 1.0
CB A:GLU101 4.5 22.9 1.0
CG A:HIS70 4.5 50.7 1.0
ND1 A:HIS70 4.6 52.4 1.0
NE1 A:TRP71 4.7 41.1 1.0
CD2 A:HIS70 4.8 43.8 1.0
CB A:HIS70 4.8 35.5 1.0
N A:HIS70 4.8 31.7 1.0
CE1 A:HIS70 4.8 45.5 1.0
CA A:CYS98 4.9 36.8 1.0
O A:HOH1624 4.9 59.2 1.0
O A:HOH1160 4.9 29.3 1.0
O A:HIS70 5.0 31.6 1.0
NE2 A:HIS70 5.0 41.3 1.0

Chlorine binding site 3 out of 27 in 1t36

Go back to Chlorine Binding Sites List in 1t36
Chlorine binding site 3 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1084

b:40.8
occ:1.00
 NH1 A:ARG294 3.4 71.9 1.0
ND2 A:ASN289 3.5 22.6 1.0
ND2 A:ASN292 3.5 21.5 1.0
CD A:ARG294 3.6 33.8 1.0
CZ A:ARG294 4.0 0.0 1.0
O A:HOH1626 4.1 66.0 1.0
NE A:ARG294 4.2 61.4 1.0
CZ2 A:TRP213 4.2 34.3 1.0
CH2 A:TRP213 4.4 21.4 1.0
CG A:ASN292 4.4 24.5 1.0
OD1 A:ASN292 4.6 32.5 1.0
CB A:ARG294 4.6 32.5 1.0
CG A:ASN289 4.6 37.7 1.0
O A:HOH1353 4.6 68.4 1.0
O A:HOH1350 4.6 44.6 1.0
O A:HOH1628 4.7 81.6 1.0
O A:HOH1915 4.8 79.3 1.0
CG A:ARG294 4.8 23.4 1.0
CB A:ASN289 4.8 20.6 1.0
O A:HOH1625 4.9 49.9 1.0

Chlorine binding site 4 out of 27 in 1t36

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Chlorine binding site 4 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1085

b:39.4
occ:1.00
 N A:GLY902 3.1 27.6 1.0
O A:HOH1254 3.2 39.2 1.0
N A:ASN371 3.4 30.0 1.0
N A:PRO901 3.5 37.5 1.0
C A:PHE900 3.6 32.9 1.0
CA A:PHE900 3.6 22.5 1.0
CA A:ALA370 3.7 23.7 1.0
CD A:PRO901 3.7 32.9 1.0
CA A:GLY902 3.9 28.0 1.0
CB A:ASN371 4.1 19.4 1.0
CB A:ALA370 4.1 28.1 1.0
C A:ALA370 4.1 29.8 1.0
C A:PRO901 4.1 49.7 1.0
CB A:PHE900 4.2 21.1 1.0
O A:PHE900 4.3 28.4 1.0
CA A:PRO901 4.3 33.6 1.0
CA A:ASN371 4.3 29.5 1.0
O A:GLY369 4.5 48.4 1.0
CG A:PRO901 4.5 31.7 1.0
C A:GLY902 4.7 42.8 1.0
CB A:PRO901 4.7 46.5 1.0
N A:VAL903 4.7 32.4 1.0
O A:ASN371 4.8 22.0 1.0
N A:ALA370 4.8 29.6 1.0
O A:HOH1255 4.9 56.5 1.0
N A:PHE900 4.9 19.7 1.0

Chlorine binding site 5 out of 27 in 1t36

Go back to Chlorine Binding Sites List in 1t36
Chlorine binding site 5 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1086

b:56.6
occ:1.00
 NZ A:LYS475 3.2 25.1 1.0
CE A:LYS475 3.5 36.1 1.0
ND2 A:ASN485 3.5 54.3 1.0
CB A:PHE488 3.7 30.4 1.0
CG A:PHE488 3.8 27.9 1.0
CD2 A:PHE488 4.1 26.1 1.0
CD1 A:PHE488 4.3 42.8 1.0
CG A:ASN485 4.4 55.4 1.0
OD1 A:ASN485 4.5 47.9 1.0
O A:GLY483 4.7 33.2 1.0
CA A:PHE488 4.8 32.9 1.0
O A:HOH1450 4.8 32.4 1.0
CE2 A:PHE488 4.9 29.9 1.0

Chlorine binding site 6 out of 27 in 1t36

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Chlorine binding site 6 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1081

b:29.1
occ:1.00
 O C:HOH1127 3.0 23.4 1.0
O C:HOH1171 3.2 25.6 1.0
N C:MET174 3.2 29.2 1.0
O C:HOH1128 3.2 27.2 1.0
CA C:THR173 3.5 23.9 1.0
CB C:THR173 3.7 28.7 1.0
CG C:GLN93 3.7 20.5 1.0
O C:MET174 3.9 26.7 1.0
C C:THR173 3.9 29.5 1.0
CB C:GLN93 3.9 24.1 1.0
C4 C:NET1092 3.9 22.3 1.0
OG C:SER177 3.9 32.9 1.0
CB C:SER177 4.1 29.0 1.0
C1 C:NET1092 4.1 17.5 1.0
CG C:MET174 4.2 21.5 1.0
CG2 C:THR173 4.3 19.9 1.0
CA C:MET174 4.4 32.7 1.0
C2 C:NET1092 4.4 23.9 1.0
C C:MET174 4.5 34.6 1.0
CD C:GLN93 4.6 31.9 1.0
O C:HOH1172 4.7 30.0 1.0
O C:PHE172 4.7 23.6 1.0
N C:THR173 4.8 24.9 1.0
OG1 C:THR173 4.8 19.4 1.0
OE1 C:GLN93 4.8 27.4 1.0
SD C:MET174 4.8 27.5 1.0
CB C:MET174 4.9 24.1 1.0
C3 C:NET1092 4.9 21.8 1.0
O C:HOH1125 4.9 28.7 1.0

Chlorine binding site 7 out of 27 in 1t36

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Chlorine binding site 7 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1083

b:77.8
occ:1.00
 N C:TRP71 3.1 28.8 1.0
CB C:TRP71 3.7 43.9 1.0
CD1 C:TRP71 3.8 57.8 1.0
CA C:TRP71 3.9 33.2 1.0
CA C:HIS70 3.9 26.9 1.0
C C:HIS70 4.0 26.4 1.0
CG C:TRP71 4.2 48.3 1.0
O C:ILE69 4.2 41.1 1.0
CG C:GLU101 4.4 48.3 1.0
SG C:CYS98 4.4 35.5 1.0
CB C:GLU101 4.5 36.4 1.0
CA C:CYS98 4.6 24.8 1.0
O C:HOH1629 4.6 77.4 1.0
O C:HOH1163 4.6 43.9 1.0
CG C:HIS70 4.7 49.8 1.0
CB C:CYS98 4.8 28.7 1.0
N C:HIS70 4.8 37.6 1.0
C C:ILE69 4.9 40.5 1.0
ND1 C:HIS70 4.9 52.1 1.0
CB C:HIS70 4.9 40.7 1.0
CD2 C:HIS70 5.0 44.5 1.0

Chlorine binding site 8 out of 27 in 1t36

Go back to Chlorine Binding Sites List in 1t36
Chlorine binding site 8 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1084

b:43.7
occ:1.00
 NE C:ARG294 3.4 40.3 1.0
ND2 C:ASN289 3.4 25.2 1.0
ND2 C:ASN292 3.5 24.8 1.0
CZ C:ARG294 3.5 0.0 1.0
CD C:ARG294 3.8 62.7 1.0
NH2 C:ARG294 3.9 0.0 1.0
NH1 C:ARG294 4.0 69.5 1.0
CZ2 C:TRP213 4.0 28.6 1.0
CH2 C:TRP213 4.2 22.2 1.0
CB C:ARG294 4.4 30.7 1.0
O C:HOH1343 4.4 62.2 1.0
CG C:ASN292 4.5 44.0 1.0
OD1 C:ASN292 4.5 30.2 1.0
CG C:ASN289 4.5 30.6 1.0
CG C:ARG294 4.6 24.2 1.0
CB C:ASN289 4.7 20.6 1.0
O C:HOH1601 4.7 46.4 1.0

Chlorine binding site 9 out of 27 in 1t36

Go back to Chlorine Binding Sites List in 1t36
Chlorine binding site 9 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1085

b:39.3
occ:1.00
 O C:HOH1254 3.2 44.2 1.0
N C:ASN371 3.2 25.0 1.0
N C:GLY902 3.4 36.8 1.0
CA C:PHE900 3.5 24.6 1.0
C C:PHE900 3.6 29.0 1.0
N C:PRO901 3.6 30.0 1.0
CA C:ALA370 3.6 29.4 1.0
CD C:PRO901 3.7 31.0 1.0
CB C:PHE900 3.8 25.6 1.0
C C:ALA370 4.0 30.5 1.0
CB C:ALA370 4.0 21.2 1.0
CB C:ASN371 4.0 26.0 1.0
CA C:GLY902 4.1 28.9 1.0
O C:PHE900 4.2 33.9 1.0
CA C:ASN371 4.2 26.4 1.0
C C:PRO901 4.4 31.4 1.0
CA C:PRO901 4.5 39.4 1.0
O C:HOH1255 4.5 47.5 1.0
O C:GLY369 4.7 43.1 1.0
CG C:PRO901 4.7 39.4 1.0
C C:GLY902 4.8 29.0 1.0
N C:PHE900 4.8 17.7 1.0
N C:ALA370 4.8 32.9 1.0
O C:ASN371 4.8 20.9 1.0
CD1 C:PHE900 4.8 21.3 1.0
N C:VAL903 4.9 34.5 1.0
CG C:PHE900 4.9 30.5 1.0
O C:LYS899 4.9 21.7 1.0
CB C:PRO901 5.0 35.9 1.0

Chlorine binding site 10 out of 27 in 1t36

Go back to Chlorine Binding Sites List in 1t36
Chlorine binding site 10 out of 27 in the Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of E. Coli Carbamoyl Phosphate Synthetase Small Subunit Mutant C248D Complexed with Uridine 5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1086

b:67.2
occ:1.00
 O C:HOH1607 3.0 44.9 1.0
NZ C:LYS475 3.0 60.0 1.0
ND2 C:ASN485 3.6 31.4 1.0
CE C:LYS475 3.6 36.8 1.0
CB C:PHE488 4.0 25.4 1.0
CG C:PHE488 4.1 41.0 1.0
CD2 C:PHE488 4.4 43.2 1.0
CG C:ASN485 4.6 38.6 1.0
CD1 C:PHE488 4.6 53.0 1.0
OD1 C:ASN485 4.7 50.2 1.0
O C:GLY483 4.8 37.4 1.0
O C:HOH1746 4.8 66.8 1.0
O C:HOH1444 5.0 66.0 1.0

Reference:

J.B.Thoden, X.Huang, J.Kim, F.M.Raushel, H.M.Holden. Long-Range Allosteric Transitions in Carbamoyl Phosphate Synthetase. Protein Sci. V. 13 2398 2004.
ISSN: ISSN 0961-8368
PubMed: 15322282
DOI: 10.1110/PS.04822704
Page generated: Sat Jul 20 02:20:44 2024

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