Atomistry » Chlorine » PDB 3k1t-3k9t » 3k2w
Atomistry »
  Chlorine »
    PDB 3k1t-3k9t »
      3k2w »

Chlorine in PDB 3k2w: Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C

Enzymatic activity of Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C

All present enzymatic activity of Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C:
1.2.1.8;

Protein crystallography data

The structure of Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C, PDB code: 3k2w was solved by Y.Patskovsky, R.Toro, M.Rutter, J.M.Sauder, S.K.Burley, S.C.Almo, New Yorksgx Research Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 86.785, 163.718, 142.069, 90.00, 90.59, 90.00
R / Rfree (%) 21 / 27.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C (pdb code 3k2w). 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 Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C, PDB code: 3k2w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3k2w

Go back to Chlorine Binding Sites List in 3k2w
Chlorine binding site 1 out of 8 in the Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C


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 Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl497

b:51.6
occ:1.00
 N A:LYS259 3.1 41.8 1.0
N A:LEU418 3.2 38.2 1.0
N A:ALA260 3.3 39.4 1.0
C A:LYS259 3.5 40.9 1.0
N A:SER419 3.6 47.1 1.0
CA A:ALA260 3.6 43.0 1.0
O A:SER419 3.6 43.0 1.0
CA A:GLY258 3.9 34.5 1.0
CA A:LYS259 3.9 46.8 1.0
N A:GLY417 3.9 48.3 1.0
CA A:LEU418 3.9 39.8 1.0
C A:GLY258 3.9 40.8 1.0
CB A:LEU418 3.9 43.6 1.0
O A:LYS259 4.0 51.2 1.0
CA A:GLY417 4.0 39.9 1.0
C A:GLY417 4.0 38.1 1.0
CB A:TYR416 4.0 39.6 1.0
CB A:ALA260 4.1 37.9 1.0
C A:LEU418 4.3 48.5 1.0
C A:TYR416 4.3 45.2 1.0
OG A:SER462 4.5 34.2 1.0
C A:SER419 4.5 39.0 1.0
CA A:SER419 4.6 37.5 1.0
O A:HOH517 4.6 33.7 1.0
CB A:LYS259 4.7 51.0 1.0
CD A:PRO261 4.7 43.4 1.0
CG1 A:VAL439 4.8 32.0 1.0
O A:TYR416 4.8 43.2 1.0
CA A:TYR416 4.8 35.6 1.0
C A:ALA260 5.0 39.0 1.0

Chlorine binding site 2 out of 8 in 3k2w

Go back to Chlorine Binding Sites List in 3k2w
Chlorine binding site 2 out of 8 in the Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C


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 Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl500

b:47.2
occ:1.00
 O B:HOH1308 3.0 45.4 1.0
N B:LYS259 3.1 38.4 1.0
N B:LEU418 3.2 43.0 1.0
N B:ALA260 3.3 40.9 1.0
C B:LYS259 3.5 30.7 1.0
N B:SER419 3.5 30.2 1.0
CA B:ALA260 3.5 45.5 1.0
O B:SER419 3.7 35.6 1.0
CA B:GLY258 3.7 32.3 1.0
CB B:LEU418 3.7 42.1 1.0
CA B:LEU418 3.8 47.0 1.0
N B:GLY417 3.9 42.3 1.0
C B:GLY258 3.9 36.3 1.0
O B:LYS259 3.9 38.1 1.0
CA B:LYS259 4.0 37.5 1.0
CB B:ALA260 4.0 46.5 1.0
CB B:TYR416 4.0 37.7 1.0
C B:GLY417 4.1 40.5 1.0
CA B:GLY417 4.2 41.5 1.0
C B:LEU418 4.2 47.4 1.0
C B:TYR416 4.3 45.4 1.0
C B:SER419 4.6 34.7 1.0
CA B:SER419 4.6 32.7 1.0
OG B:SER462 4.6 31.8 1.0
CD B:PRO261 4.6 30.0 1.0
O B:HOH1648 4.7 43.8 1.0
O B:TYR416 4.8 37.2 1.0
CA B:TYR416 4.8 36.6 1.0
CB B:LYS259 4.8 45.4 1.0
O B:HOH540 4.8 32.8 1.0
CG1 B:VAL439 4.9 26.7 1.0
C B:ALA260 4.9 41.0 1.0

Chlorine binding site 3 out of 8 in 3k2w

Go back to Chlorine Binding Sites List in 3k2w
Chlorine binding site 3 out of 8 in the Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C


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 Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl496

b:38.7
occ:1.00
 N C:LEU418 3.0 24.6 1.0
N C:LYS259 3.2 27.2 1.0
O C:HOH1372 3.2 35.6 1.0
N C:ALA260 3.5 23.9 1.0
N C:SER419 3.6 27.4 1.0
CA C:ALA260 3.6 22.9 1.0
CA C:GLY258 3.7 28.1 1.0
C C:LYS259 3.7 22.1 1.0
CB C:LEU418 3.7 28.4 1.0
CA C:LEU418 3.8 27.6 1.0
O C:SER419 3.8 25.2 1.0
CB C:TYR416 3.9 16.1 1.0
N C:GLY417 3.9 33.5 1.0
C C:GLY258 3.9 26.4 1.0
C C:GLY417 4.0 22.2 1.0
CA C:GLY417 4.0 25.9 1.0
CB C:ALA260 4.1 22.1 1.0
CA C:LYS259 4.1 22.2 1.0
O C:LYS259 4.2 37.7 1.0
C C:LEU418 4.2 31.9 1.0
C C:TYR416 4.2 27.5 1.0
OG C:SER462 4.4 22.2 1.0
O C:TYR416 4.6 34.3 1.0
C C:SER419 4.6 31.8 1.0
CA C:SER419 4.6 29.7 1.0
CD C:PRO261 4.7 18.1 1.0
CA C:TYR416 4.8 23.6 1.0
O C:HOH532 4.8 21.5 1.0
CG1 C:VAL439 4.9 27.2 1.0
CB C:LYS259 4.9 27.7 1.0
C C:ALA260 5.0 31.3 1.0

Chlorine binding site 4 out of 8 in 3k2w

Go back to Chlorine Binding Sites List in 3k2w
Chlorine binding site 4 out of 8 in the Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C


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 Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl499

b:37.7
occ:1.00
 N D:LEU418 3.1 22.4 1.0
N D:LYS259 3.2 27.1 1.0
O D:HOH531 3.2 39.0 1.0
N D:ALA260 3.4 25.5 1.0
CA D:ALA260 3.6 27.1 1.0
C D:LYS259 3.6 26.6 1.0
N D:SER419 3.6 26.4 1.0
CA D:GLY258 3.7 24.1 1.0
O D:SER419 3.7 28.4 1.0
CB D:LEU418 3.7 21.2 1.0
CA D:LEU418 3.8 28.3 1.0
CB D:TYR416 3.9 29.7 1.0
C D:GLY258 3.9 31.0 1.0
N D:GLY417 3.9 23.8 1.0
O D:LYS259 4.0 28.3 1.0
CA D:LYS259 4.0 27.9 1.0
CB D:ALA260 4.1 28.2 1.0
C D:GLY417 4.1 30.2 1.0
CA D:GLY417 4.1 20.8 1.0
C D:LEU418 4.2 41.3 1.0
C D:TYR416 4.3 31.1 1.0
OG D:SER462 4.5 20.6 1.0
C D:SER419 4.6 25.9 1.0
CA D:SER419 4.6 22.5 1.0
CA D:TYR416 4.7 31.1 1.0
CD D:PRO261 4.7 31.3 1.0
O D:HOH748 4.8 33.4 1.0
O D:HOH503 4.8 26.2 1.0
O D:TYR416 4.8 27.0 1.0
CB D:LYS259 4.9 27.4 1.0
C D:ALA260 4.9 30.2 1.0
CG1 D:VAL439 4.9 20.0 1.0
CG D:TYR416 5.0 33.6 1.0

Chlorine binding site 5 out of 8 in 3k2w

Go back to Chlorine Binding Sites List in 3k2w
Chlorine binding site 5 out of 8 in the Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C


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 Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl498

b:34.1
occ:1.00
 O E:HOH697 3.0 30.7 1.0
N E:LYS259 3.1 32.3 1.0
N E:LEU418 3.2 23.0 1.0
N E:ALA260 3.5 27.2 1.0
C E:LYS259 3.5 26.8 1.0
N E:SER419 3.5 25.6 1.0
O E:SER419 3.6 25.2 1.0
CA E:ALA260 3.6 30.6 1.0
CA E:GLY258 3.7 33.7 1.0
CB E:LEU418 3.7 29.1 1.0
O E:LYS259 3.8 34.5 1.0
CA E:LEU418 3.8 18.6 1.0
C E:GLY258 3.8 34.1 1.0
CA E:LYS259 3.9 18.6 1.0
CB E:TYR416 4.0 24.5 1.0
N E:GLY417 4.1 27.1 1.0
CB E:ALA260 4.1 25.4 1.0
C E:LEU418 4.2 25.5 1.0
C E:GLY417 4.2 19.4 1.0
CA E:GLY417 4.4 20.9 1.0
C E:TYR416 4.4 24.2 1.0
C E:SER419 4.5 19.7 1.0
CA E:SER419 4.5 29.5 1.0
OG E:SER462 4.6 25.2 1.0
CD E:PRO261 4.6 24.8 1.0
O E:HOH540 4.8 30.6 1.0
CB E:LYS259 4.9 25.4 1.0
O E:TYR416 4.9 29.4 1.0
CA E:TYR416 4.9 23.6 1.0
CG1 E:VAL439 4.9 20.5 1.0
CG E:LEU418 5.0 25.0 1.0
C E:ALA260 5.0 24.8 1.0

Chlorine binding site 6 out of 8 in 3k2w

Go back to Chlorine Binding Sites List in 3k2w
Chlorine binding site 6 out of 8 in the Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C


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 Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl499

b:31.8
occ:1.00
 N F:LEU418 3.1 20.7 1.0
O F:HOH1020 3.2 30.1 1.0
N F:LYS259 3.2 29.3 1.0
N F:ALA260 3.4 21.3 1.0
N F:SER419 3.5 29.6 1.0
O F:SER419 3.6 31.3 1.0
CA F:ALA260 3.6 23.4 1.0
C F:LYS259 3.6 24.8 1.0
CA F:GLY258 3.8 29.3 1.0
CB F:LEU418 3.8 22.4 1.0
CA F:LEU418 3.8 25.6 1.0
C F:GLY258 4.0 33.2 1.0
N F:GLY417 4.0 22.2 1.0
C F:GLY417 4.1 23.7 1.0
O F:LYS259 4.1 26.5 1.0
CA F:LYS259 4.1 30.9 1.0
CB F:ALA260 4.1 22.6 1.0
CB F:TYR416 4.1 27.1 1.0
CA F:GLY417 4.1 21.3 1.0
C F:LEU418 4.2 28.7 1.0
C F:TYR416 4.3 28.0 1.0
OG F:SER462 4.4 25.4 1.0
C F:SER419 4.5 26.8 1.0
CA F:SER419 4.6 29.6 1.0
CD F:PRO261 4.7 26.3 1.0
O F:TYR416 4.7 26.9 1.0
O F:HOH506 4.8 26.8 1.0
CG1 F:VAL439 4.9 30.3 1.0
CA F:TYR416 4.9 27.6 1.0
O F:HOH1015 4.9 33.3 1.0
C F:ALA260 5.0 29.9 1.0
CB F:LYS259 5.0 30.7 1.0

Chlorine binding site 7 out of 8 in 3k2w

Go back to Chlorine Binding Sites List in 3k2w
Chlorine binding site 7 out of 8 in the Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C


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 Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl499

b:49.8
occ:1.00
 O G:HOH952 3.0 34.8 1.0
N G:LEU418 3.0 30.6 1.0
N G:LYS259 3.2 43.3 1.0
N G:SER419 3.6 31.6 1.0
C G:LYS259 3.6 43.2 1.0
O G:SER419 3.7 36.8 1.0
N G:ALA260 3.7 33.0 1.0
O G:LYS259 3.8 47.4 1.0
CA G:GLY258 3.8 33.6 1.0
CA G:GLY417 3.8 40.3 1.0
CA G:LEU418 3.8 34.1 1.0
N G:GLY417 3.8 40.4 1.0
C G:GLY417 3.9 35.9 1.0
CB G:LEU418 3.9 35.6 1.0
CA G:ALA260 3.9 32.3 1.0
CB G:TYR416 3.9 37.4 1.0
C G:GLY258 4.0 42.1 1.0
CA G:LYS259 4.0 36.3 1.0
C G:TYR416 4.1 35.8 1.0
C G:LEU418 4.2 36.8 1.0
CB G:ALA260 4.3 26.9 1.0
OG G:SER462 4.3 35.7 1.0
O G:TYR416 4.4 38.5 1.0
C G:SER419 4.5 32.1 1.0
CA G:SER419 4.6 38.0 1.0
CA G:TYR416 4.7 38.5 1.0
O G:HOH1541 4.7 40.4 1.0
CD G:PRO261 4.8 35.4 1.0
CB G:LYS259 4.8 42.6 1.0
CG1 G:VAL439 4.9 40.3 1.0

Chlorine binding site 8 out of 8 in 3k2w

Go back to Chlorine Binding Sites List in 3k2w
Chlorine binding site 8 out of 8 in the Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C


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 Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica T6C within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl497

b:42.9
occ:1.00
 N H:LEU418 2.9 37.6 1.0
N H:LYS259 3.2 47.6 1.0
N H:GLY417 3.5 51.6 1.0
N H:ALA260 3.6 46.3 1.0
C H:LYS259 3.6 50.5 1.0
CA H:GLY258 3.6 43.1 1.0
N H:SER419 3.6 34.9 1.0
CB H:LEU418 3.6 45.3 1.0
CA H:LEU418 3.7 45.7 1.0
CB H:TYR416 3.7 30.5 1.0
C H:GLY258 3.8 57.4 1.0
CA H:ALA260 3.8 52.3 1.0
C H:GLY417 3.8 36.0 1.0
CA H:GLY417 3.8 43.9 1.0
O H:SER419 3.9 40.5 1.0
O H:LYS259 3.9 48.6 1.0
CA H:LYS259 4.0 50.1 0.5
CA H:LYS259 4.0 49.1 0.5
C H:TYR416 4.2 47.0 1.0
OG H:SER462 4.2 35.8 1.0
CB H:ALA260 4.2 42.6 1.0
C H:LEU418 4.2 35.4 1.0
CA H:TYR416 4.6 37.3 1.0
O H:HOH521 4.7 38.8 1.0
C H:SER419 4.7 41.8 1.0
CA H:SER419 4.7 28.3 1.0
O H:HOH1745 4.8 42.5 1.0
O H:GLY258 4.8 57.6 1.0
CG H:TYR416 4.8 50.4 1.0
O H:TYR416 4.9 37.9 1.0
CB H:LYS259 4.9 49.1 0.5
CB H:LYS259 5.0 46.9 0.5
CG H:LEU418 5.0 54.9 1.0
O H:GLY417 5.0 37.9 1.0
CD H:PRO261 5.0 36.1 1.0

Reference:

Y.Patskovsky, R.Toro, M.Rutter, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Betaine-Aldehyde Dehydrogenase From Pseudoalteromonas Atlantica To Be Published.
Page generated: Sat Jul 20 22:23:25 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy