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Chlorine in PDB 4gnv: Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine

Enzymatic activity of Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine

All present enzymatic activity of Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine:
3.2.1.52;

Protein crystallography data

The structure of Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine, PDB code: 4gnv was solved by Ssgcid, Seattle Structural Genomics Center For Infectious Disease(Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 67.12 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.970, 89.310, 67.150, 90.00, 91.73, 90.00
R / Rfree (%) 14.8 / 17.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine (pdb code 4gnv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine, PDB code: 4gnv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4gnv

Go back to Chlorine Binding Sites List in 4gnv
Chlorine binding site 1 out of 4 in the Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine


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 Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:10.0
occ:1.00
 O A:HOH710 3.2 25.0 1.0
OG1 A:THR47 3.3 10.6 1.0
O A:HOH534 3.5 15.2 1.0
CB A:THR47 3.8 10.2 1.0
O A:ARG43 3.8 10.1 1.0
CA A:ALA44 4.0 10.4 1.0
C A:ARG43 4.0 10.2 1.0
N A:ALA44 4.0 10.3 1.0
CD1 A:TRP321 4.1 13.5 1.0
CG2 A:THR47 4.2 11.9 1.0
CB A:ARG43 4.2 10.5 1.0
O A:HOH629 4.4 28.4 1.0
CB A:ALA44 4.7 11.0 1.0
O A:HOH607 4.8 18.7 1.0
CA A:ARG43 4.8 10.3 1.0
CG A:TRP321 4.8 13.4 1.0
CB A:TRP321 4.8 13.9 1.0
O A:ALA116 4.9 10.6 1.0

Chlorine binding site 2 out of 4 in 4gnv

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Chlorine binding site 2 out of 4 in the Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine


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 Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:10.1
occ:1.00
 O A:HOH640 3.0 25.2 1.0
O A:HOH574 3.1 11.4 1.0
NE2 A:GLN332 3.7 26.9 1.0
CG A:GLN332 3.8 19.4 1.0
CD A:GLN332 3.8 23.3 1.0
CD2 A:LEU336 3.8 13.9 1.0
CG B:LEU209 3.9 11.6 1.0
N B:LEU209 4.0 10.2 1.0
CA B:GLY208 4.1 10.2 1.0
CD2 B:LEU209 4.3 12.2 1.0
CE A:LYS101 4.4 12.8 1.0
O A:GLN332 4.4 12.2 1.0
CA A:ALA333 4.4 11.1 1.0
C B:GLY208 4.4 10.0 1.0
CB A:LEU336 4.5 12.2 1.0
OE1 A:GLN332 4.5 24.8 1.0
C A:GLN332 4.5 12.6 1.0
CB A:ALA105 4.5 7.4 1.0
N A:ALA333 4.5 11.7 1.0
CD1 B:LEU209 4.7 12.6 1.0
CB A:GLN332 4.7 17.2 1.0
CG A:LEU336 4.8 12.6 1.0
CB B:LEU209 4.8 10.8 1.0
CG A:LYS101 4.8 10.4 1.0
CA B:LEU209 4.9 10.1 1.0
O A:HOH622 4.9 21.1 1.0

Chlorine binding site 3 out of 4 in 4gnv

Go back to Chlorine Binding Sites List in 4gnv
Chlorine binding site 3 out of 4 in the Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine


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 Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:22.1
occ:1.00
 O B:HOH667 3.0 25.7 1.0
O A:HOH669 3.3 25.4 1.0
NH1 A:ARG307 3.5 12.9 1.0
CG B:GLN327 3.8 11.5 1.0
NE2 B:GLN327 3.8 12.6 1.0
CD A:ARG311 4.1 12.3 1.0
CD A:ARG307 4.2 13.6 1.0
CG A:ARG307 4.3 13.1 1.0
CD1 B:LEU319 4.3 14.4 1.0
CD B:GLN327 4.4 11.7 1.0
O A:HOH604 4.4 20.9 1.0
CZ A:ARG307 4.6 13.3 1.0
O B:HOH696 4.6 28.7 1.0
CB B:GLN327 4.7 10.8 1.0
NH2 A:ARG311 4.7 13.7 1.0
CD2 B:LEU319 4.8 16.1 1.0
CG A:ARG311 4.8 11.4 1.0
NE A:ARG307 4.9 13.2 1.0
NE A:ARG311 5.0 12.8 1.0

Chlorine binding site 4 out of 4 in 4gnv

Go back to Chlorine Binding Sites List in 4gnv
Chlorine binding site 4 out of 4 in the Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine


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 Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:10.6
occ:1.00
 NE2 B:GLN332 3.0 26.1 1.0
O B:HOH530 3.2 11.1 1.0
O B:HOH754 3.2 28.8 1.0
CG B:GLN332 3.4 19.9 1.0
CD B:GLN332 3.6 23.6 1.0
CG A:LEU209 3.9 13.1 1.0
CD2 B:LEU336 3.9 14.4 1.0
N A:LEU209 4.1 10.2 1.0
CA A:GLY208 4.2 10.1 1.0
CD2 A:LEU209 4.2 13.9 1.0
CE B:LYS101 4.3 11.4 1.0
O B:GLN332 4.4 11.8 1.0
C B:GLN332 4.4 12.2 1.0
N B:ALA333 4.4 11.2 1.0
CA B:ALA333 4.4 10.9 1.0
CB B:GLN332 4.5 16.9 1.0
CB B:LEU336 4.5 12.6 1.0
C A:GLY208 4.6 9.6 1.0
CD1 A:LEU209 4.6 15.4 1.0
CB B:ALA105 4.6 8.1 1.0
OE1 B:GLN332 4.7 25.8 1.0
CG B:LYS101 4.7 10.6 1.0
CB A:LEU209 4.8 11.9 1.0
O B:HOH551 4.8 17.9 1.0
CG B:LEU336 4.8 13.4 1.0
CA A:LEU209 4.9 10.3 1.0

Reference:

D.R.Davies, J.Abendroth, B.Staker, L.Stewart. Crystal Structure of Beta-Hexosaminidase 1 From Burkholderia Cenocepacia J2315 with Bound N-Acetyl-D-Glucosamine To Be Published.
Page generated: Sun Jul 21 14:50:03 2024

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