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Chlorine in PDB 3ukf: Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Reduced)

Enzymatic activity of Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Reduced)

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

Protein crystallography data

The structure of Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Reduced), PDB code: 3ukf 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) 20.00 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 72.083, 129.338, 175.077, 89.97, 103.61, 90.14
R / Rfree (%) 25 / 29.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Udp-Galactopyranose Mutase From Aspergillus Fumigatus in Complex with Udpgalp (Reduced) (pdb code 3ukf). 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 Udpgalp (Reduced), PDB code: 3ukf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3ukf

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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 Udpgalp (Reduced)


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 Udpgalp (Reduced) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:94.3
occ:1.00
 O A:ASP85 3.2 50.9 1.0
N A:ARG215 3.2 51.6 1.0
O A:ARG215 3.6 50.5 1.0
N A:ALA214 3.6 55.7 1.0
OD2 A:ASP85 3.9 65.1 1.0
CB A:ASP85 3.9 44.7 1.0
CA A:ASP85 3.9 44.7 1.0
C A:ASP85 4.0 49.3 1.0
CA A:ARG215 4.0 51.8 1.0
CB A:ARG215 4.1 39.2 1.0
CB A:ALA214 4.1 31.7 1.0
CA A:ALA214 4.2 59.7 1.0
C A:ALA214 4.2 62.6 1.0
CD1 A:LEU80 4.2 35.7 1.0
CB A:PRO213 4.2 58.2 1.0
C A:ARG215 4.3 52.4 1.0
C A:PRO213 4.3 54.9 1.0
CG A:ASP85 4.3 65.7 1.0
CD2 A:LEU80 4.4 37.5 1.0
CA A:PRO213 4.4 69.5 1.0
CG A:ARG215 4.6 48.1 1.0
CG A:LEU80 4.8 57.2 1.0
O A:HOH534 4.9 79.4 1.0

Chlorine binding site 2 out of 8 in 3ukf

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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 Udpgalp (Reduced)


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 Udpgalp (Reduced) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl511

b:99.1
occ:1.00
 CG1 A:VAL477 3.2 37.9 1.0
O H:HOH533 3.3 57.4 1.0
N A:VAL477 3.3 37.0 1.0
NH2 H:ARG495 3.3 52.2 1.0
CA A:ALA476 3.6 59.1 1.0
CL H:CL511 3.7 92.9 1.0
CB A:ALA476 3.9 40.9 1.0
C A:ALA476 4.0 45.2 1.0
CZ H:ARG495 4.2 53.5 1.0
O H:HOH559 4.2 49.0 1.0
CB H:ALA476 4.2 29.4 1.0
CB A:VAL477 4.3 49.2 1.0
CA A:VAL477 4.4 54.6 1.0
NH1 H:ARG495 4.5 50.2 1.0
O H:HOH643 4.7 55.7 1.0
O A:GLY475 4.7 83.0 1.0
N A:ALA476 4.8 39.5 1.0
CD1 H:LEU479 4.9 37.6 1.0
O H:VAL477 4.9 47.5 1.0
OD2 H:ASP470 4.9 56.3 1.0
O A:VAL477 4.9 40.2 1.0

Chlorine binding site 3 out of 8 in 3ukf

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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 Udpgalp (Reduced)


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 Udpgalp (Reduced) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl511

b:100.0
occ:1.00
 N B:VAL477 3.1 46.5 1.0
O E:HOH612 3.1 62.9 1.0
CG1 B:VAL477 3.1 48.8 1.0
CA B:ALA476 3.4 52.5 1.0
CL E:CL511 3.5 98.5 1.0
NH2 E:ARG495 3.5 47.6 1.0
C B:ALA476 3.8 54.7 1.0
CB B:ALA476 3.8 37.2 1.0
O E:HOH553 4.0 51.6 1.0
CB B:VAL477 4.2 41.5 1.0
CA B:VAL477 4.2 47.5 1.0
CZ E:ARG495 4.3 50.3 1.0
CB E:ALA476 4.5 28.4 1.0
O B:GLY475 4.5 79.8 1.0
NH1 E:ARG495 4.6 58.0 1.0
N B:ALA476 4.7 51.6 1.0
O B:VAL477 4.8 45.9 1.0
CD1 E:LEU479 4.8 31.1 1.0
O B:ALA476 5.0 44.7 1.0

Chlorine binding site 4 out of 8 in 3ukf

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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 Udpgalp (Reduced)


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 Udpgalp (Reduced) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl512

b:85.6
occ:1.00
 N B:SER359 3.1 43.8 1.0
CB B:SER359 3.3 78.0 1.0
OE2 B:GLU406 3.4 0.0 1.0
O B:SER359 3.5 68.0 1.0
CA B:SER359 3.6 67.7 1.0
NZ B:LYS363 3.8 84.8 1.0
N B:GLN358 4.0 56.7 1.0
C B:SER359 4.0 69.3 1.0
C B:GLN358 4.2 69.5 1.0
CB B:PRO357 4.2 43.6 1.0
CE B:LYS363 4.3 86.0 1.0
CD B:GLU406 4.4 95.7 1.0
O B:HOH536 4.4 56.0 1.0
CA B:GLN358 4.4 45.0 1.0
OG B:SER359 4.5 38.6 1.0
CB B:GLN358 4.6 41.6 1.0
C B:PRO357 4.7 73.2 1.0
OG1 B:THR348 4.7 44.9 1.0
CA B:PRO357 4.8 76.7 1.0
CB B:THR348 5.0 62.4 1.0

Chlorine binding site 5 out of 8 in 3ukf

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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 Udpgalp (Reduced)


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 Udpgalp (Reduced) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl511

b:98.5
occ:1.00
 CG1 E:VAL477 3.1 35.7 1.0
N E:VAL477 3.4 32.6 1.0
CL B:CL511 3.5 100.0 1.0
CA E:ALA476 3.9 48.5 1.0
NH2 B:ARG495 4.0 45.5 1.0
CB E:ALA476 4.1 28.4 1.0
C E:ALA476 4.2 41.7 1.0
CD1 B:LEU479 4.2 27.7 1.0
CB E:VAL477 4.3 51.8 1.0
CA E:VAL477 4.4 52.1 1.0
CB B:ALA476 4.4 37.2 1.0
O B:VAL477 4.5 45.9 1.0
CG1 B:VAL477 4.6 48.8 1.0
O E:VAL477 4.7 40.3 1.0
N B:VAL477 4.8 46.5 1.0
CZ B:ARG495 4.9 56.0 1.0
CG B:LEU479 4.9 31.7 1.0

Chlorine binding site 6 out of 8 in 3ukf

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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 Udpgalp (Reduced)


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 Udpgalp (Reduced) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl511

b:0.3
occ:1.00
 O C:HOH530 3.0 62.5 1.0
N F:VAL477 3.1 53.0 1.0
CG1 F:VAL477 3.2 42.2 1.0
O C:HOH727 3.4 66.2 1.0
CA F:ALA476 3.4 66.5 1.0
O F:HOH544 3.6 64.4 1.0
CB F:ALA476 3.6 36.4 1.0
NH2 C:ARG495 3.7 67.7 1.0
C F:ALA476 3.8 52.7 1.0
CA F:VAL477 4.2 64.1 1.0
CB F:VAL477 4.3 43.0 1.0
CB C:ALA476 4.3 39.0 1.0
O C:HOH545 4.3 60.6 1.0
O F:VAL477 4.6 56.1 1.0
CZ C:ARG495 4.6 51.4 1.0
N F:ALA476 4.7 45.4 1.0
O F:GLY475 4.8 82.5 1.0
CD1 C:LEU479 4.9 38.5 1.0
C F:VAL477 4.9 46.4 1.0
NH1 C:ARG495 4.9 74.5 1.0
O C:VAL477 5.0 50.4 1.0

Chlorine binding site 7 out of 8 in 3ukf

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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 Udpgalp (Reduced)


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 Udpgalp (Reduced) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl511

b:91.2
occ:1.00
 O G:HOH771 3.3 66.4 1.0
NH2 G:ARG495 3.4 60.0 1.0
CG1 D:VAL477 3.6 52.3 1.0
O G:VAL477 3.7 48.5 1.0
CD1 G:LEU479 3.8 32.3 1.0
O D:HOH555 3.9 74.5 1.0
CB G:ALA476 4.2 32.4 1.0
N D:VAL477 4.3 52.0 1.0
CZ G:ARG495 4.4 68.1 1.0
CG G:LEU479 4.4 42.6 1.0
O G:HOH574 4.6 72.4 1.0
NH1 G:ARG495 4.6 74.9 1.0
CG1 G:VAL477 4.6 48.5 1.0
N G:VAL477 4.6 53.3 1.0
CA D:ALA476 4.7 65.9 1.0
C G:VAL477 4.8 54.2 1.0
CB D:ALA476 4.9 40.4 1.0
CB D:VAL477 4.9 52.3 1.0
O D:HOH649 4.9 85.9 1.0

Chlorine binding site 8 out of 8 in 3ukf

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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 Udpgalp (Reduced)


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 Udpgalp (Reduced) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl511

b:92.9
occ:1.00
 CG1 H:VAL477 3.1 43.6 1.0
N H:VAL477 3.3 34.7 1.0
CL A:CL511 3.7 99.1 1.0
CA H:ALA476 3.7 54.5 1.0
NH2 A:ARG495 3.8 43.1 1.0
CB H:ALA476 4.0 29.4 1.0
C H:ALA476 4.0 41.0 1.0
CB H:VAL477 4.2 53.2 1.0
CD1 A:LEU479 4.3 26.9 1.0
CA H:VAL477 4.3 51.2 1.0
CB A:ALA476 4.5 40.9 1.0
O A:VAL477 4.6 40.2 1.0
CZ A:ARG495 4.7 45.3 1.0
O A:HOH538 4.8 36.8 1.0
O H:VAL477 4.8 47.5 1.0
NH1 A:ARG495 4.8 56.0 1.0
CG1 A:VAL477 4.8 37.9 1.0
O H:GLY475 4.9 79.0 1.0
O A:HOH618 4.9 61.1 1.0
N H:ALA476 5.0 47.4 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 06:10:12 2024

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