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Chlorine in PDB 3ukl: Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp

Enzymatic activity of Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp

All present enzymatic activity of Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp:
5.4.99.9;

Protein crystallography data

The structure of Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp, PDB code: 3ukl was solved by K.E.Van Straaten, D.A.R.Sanders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.00 / 2.63
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 71.440, 129.200, 172.820, 90.07, 84.22, 82.24
R / Rfree (%) 18.5 / 23.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp (pdb code 3ukl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp, PDB code: 3ukl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3ukl

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Chlorine binding site 1 out of 8 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:62.8
occ:1.00
 N A:GLN358 3.1 66.1 1.0
CB A:GLN358 3.5 67.6 1.0
CA A:GLN358 3.8 59.3 1.0
C A:PRO357 4.1 69.5 1.0
N A:SER359 4.1 69.2 1.0
CA A:PRO357 4.2 52.0 1.0
OE1 A:GLU406 4.2 51.9 1.0
CD2 A:LEU351 4.3 47.8 1.0
CB A:PRO357 4.4 46.5 1.0
C A:GLN358 4.4 63.4 1.0
CD A:GLU406 4.6 54.5 1.0
CG A:GLU406 4.8 44.7 1.0
NZ A:LYS363 4.8 70.9 1.0
CD1 A:LEU351 4.9 45.8 1.0
CG A:GLN358 4.9 70.6 1.0

Chlorine binding site 2 out of 8 in 3ukl

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Chlorine binding site 2 out of 8 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl512

b:79.3
occ:1.00
 N A:ALA270 3.7 25.8 1.0
C8A A:FAD602 3.9 28.5 1.0
CB A:ALA270 4.1 36.0 1.0
O A:HOH537 4.3 37.6 1.0
O2A A:FAD602 4.3 29.6 1.0
CA A:MET269 4.4 28.8 1.0
CD2 A:PHE273 4.5 78.5 1.0
CA A:ALA270 4.5 25.2 1.0
C A:MET269 4.5 31.2 1.0
CE2 A:PHE273 4.7 72.9 1.0
N7A A:FAD602 4.7 37.9 1.0
C5B A:FAD602 4.7 33.4 1.0
CB A:MET269 4.7 28.4 1.0
C2B A:FAD602 4.8 27.4 1.0
N9A A:FAD602 4.9 33.0 1.0

Chlorine binding site 3 out of 8 in 3ukl

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Chlorine binding site 3 out of 8 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1

b:63.9
occ:1.00
 O B:HOH606 3.5 38.2 1.0
O B:HOH558 3.7 21.5 1.0
N B:ALA270 3.8 25.8 1.0
C8A B:FAD604 3.8 30.4 1.0
CB B:ALA270 4.1 30.9 1.0
CD2 B:PHE273 4.3 76.6 1.0
CE2 B:PHE273 4.5 73.5 1.0
CA B:ALA270 4.5 28.0 1.0
N7A B:FAD604 4.5 43.1 1.0
CA B:MET269 4.6 29.6 1.0
O2A B:FAD604 4.6 33.8 1.0
C B:MET269 4.6 30.2 1.0
C5B B:FAD604 4.8 32.0 1.0
N9A B:FAD604 4.8 24.9 1.0
CB B:MET269 4.9 28.3 1.0
C2B B:FAD604 5.0 31.1 1.0

Chlorine binding site 4 out of 8 in 3ukl

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Chlorine binding site 4 out of 8 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1

b:58.5
occ:1.00
 O C:HOH618 2.9 30.7 1.0
N C:GLN358 3.1 64.7 1.0
CB C:GLN358 3.7 67.2 1.0
CA C:GLN358 3.9 55.9 1.0
CA C:PRO357 4.0 58.8 1.0
C C:PRO357 4.0 66.2 1.0
O C:HOH583 4.1 52.5 1.0
N C:SER359 4.1 73.2 1.0
CB C:PRO357 4.1 54.5 1.0
CD2 C:LEU351 4.2 50.9 1.0
OE1 C:GLU406 4.3 57.9 1.0
CD C:GLU406 4.4 56.6 1.0
C C:GLN358 4.5 57.2 1.0
CG C:GLU406 4.5 48.8 1.0
NZ C:LYS363 4.8 69.9 1.0
OE2 C:GLU406 4.9 65.7 1.0
CD1 C:LEU351 4.9 46.2 1.0
CG C:LEU351 5.0 63.7 1.0

Chlorine binding site 5 out of 8 in 3ukl

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Chlorine binding site 5 out of 8 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1

b:75.8
occ:1.00
 O E:HOH586 3.4 36.9 1.0
O E:HOH558 3.4 44.8 1.0
N E:ALA270 4.0 30.8 1.0
C8A E:FAD606 4.1 32.1 1.0
CB E:ALA270 4.2 34.2 1.0
CD2 E:PHE273 4.3 79.8 1.0
CE2 E:PHE273 4.4 73.7 1.0
O2A E:FAD606 4.6 59.9 1.0
CA E:ALA270 4.7 27.6 1.0
N7A E:FAD606 4.8 36.2 1.0
CA E:MET269 4.9 29.3 1.0
C E:MET269 5.0 31.7 1.0
C2B E:FAD606 5.0 24.9 1.0

Chlorine binding site 6 out of 8 in 3ukl

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Chlorine binding site 6 out of 8 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1

b:85.3
occ:1.00
 N F:GLN358 3.1 86.7 1.0
CA F:PRO357 3.8 66.3 1.0
CB F:PRO357 3.8 63.3 1.0
C F:PRO357 3.8 81.8 1.0
CB F:GLN358 3.8 80.4 1.0
N F:SER359 3.9 90.3 1.0
CA F:GLN358 3.9 77.3 1.0
CD2 F:LEU351 4.2 55.9 1.0
NZ F:LYS363 4.2 74.2 1.0
OE1 F:GLU406 4.3 65.4 1.0
C F:GLN358 4.3 78.1 1.0
CD F:GLU406 4.4 77.8 1.0
O F:SER359 4.7 88.5 1.0
CG F:GLU406 4.7 55.7 1.0
CA F:SER359 4.9 75.8 1.0
OE2 F:GLU406 4.9 82.8 1.0
CB F:SER359 4.9 69.0 1.0
O F:PRO357 4.9 64.9 1.0

Chlorine binding site 7 out of 8 in 3ukl

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Chlorine binding site 7 out of 8 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl512

b:81.3
occ:1.00
 N F:ALA270 3.3 32.2 1.0
CB F:ALA270 3.6 31.7 1.0
CA F:ALA270 4.0 27.4 1.0
O2A F:FAD603 4.1 55.2 1.0
C F:MET269 4.1 38.8 1.0
CA F:MET269 4.2 34.1 1.0
C8A F:FAD603 4.2 37.7 1.0
C5B F:FAD603 4.5 23.4 1.0
CD2 F:PHE273 4.6 72.8 1.0
CB F:MET269 4.7 29.6 1.0
CE2 F:PHE273 4.8 71.8 1.0
O F:HOH903 4.9 30.0 1.0
O F:THR268 4.9 31.9 1.0
CB F:PHE448 4.9 21.1 1.0
N7A F:FAD603 4.9 43.8 1.0

Chlorine binding site 8 out of 8 in 3ukl

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Chlorine binding site 8 out of 8 in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp


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 Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1

b:66.1
occ:1.00
 N H:GLN358 3.2 75.7 1.0
CB H:GLN358 3.7 68.0 1.0
O H:HOH535 3.9 30.7 1.0
CA H:GLN358 4.0 67.4 1.0
OE1 H:GLU406 4.1 64.8 1.0
CA H:PRO357 4.1 54.7 1.0
C H:PRO357 4.1 75.8 1.0
CD2 H:LEU351 4.2 51.4 1.0
N H:SER359 4.2 70.1 1.0
CB H:PRO357 4.2 51.9 1.0
CD H:GLU406 4.3 67.4 1.0
C H:GLN358 4.5 67.6 1.0
CG H:GLU406 4.6 51.4 1.0
NZ H:LYS363 4.6 72.2 1.0
OE2 H:GLU406 4.9 71.4 1.0
CD1 H:LEU351 4.9 50.1 1.0

Reference:

K.E.Van Straaten, F.H.Routier, D.A.Sanders. Structural Insight Into the Unique Substrate Binding Mechanism and Flavin Redox State of Udp-Galactopyranose Mutase From Aspergillus Fumigatus. J.Biol.Chem. V. 287 10780 2012.
ISSN: ISSN 0021-9258
PubMed: 22334662
DOI: 10.1074/JBC.M111.322974
Page generated: Sun Jul 21 06:11:43 2024

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