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Chlorine in PDB 6o4c: Structure of ALDH7A1 Mutant W175A Complexed with Nad

Enzymatic activity of Structure of ALDH7A1 Mutant W175A Complexed with Nad

All present enzymatic activity of Structure of ALDH7A1 Mutant W175A Complexed with Nad:
1.2.1.3; 1.2.1.31; 1.2.1.8;

Protein crystallography data

The structure of Structure of ALDH7A1 Mutant W175A Complexed with Nad, PDB code: 6o4c was solved by J.J.Tanner, D.A.Korasick, A.R.Laciak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.91 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 156.060, 162.330, 159.630, 90.00, 94.40, 90.00
R / Rfree (%) 14.7 / 17.5

Other elements in 6o4c:

The structure of Structure of ALDH7A1 Mutant W175A Complexed with Nad also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of ALDH7A1 Mutant W175A Complexed with Nad (pdb code 6o4c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of ALDH7A1 Mutant W175A Complexed with Nad, PDB code: 6o4c:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6o4c

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Chlorine binding site 1 out of 8 in the Structure of ALDH7A1 Mutant W175A Complexed with Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of ALDH7A1 Mutant W175A Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:23.4
occ:1.00
 N A:GLN511 3.1 28.9 1.0
NE B:ARG321 3.1 28.1 1.0
O B:HOH775 3.1 18.0 1.0
O A:HOH707 3.2 29.6 1.0
CG1 B:VAL287 3.5 15.1 1.0
CB A:GLN511 3.6 33.8 1.0
NH1 B:ARG321 3.6 22.4 1.0
CB A:PHE510 3.6 20.9 1.0
CB B:VAL287 3.7 12.7 1.0
CB B:ARG321 3.7 13.7 1.0
CZ B:ARG321 3.8 22.8 1.0
CD1 A:PHE510 3.8 23.0 1.0
CG2 B:VAL287 3.9 15.1 1.0
CA A:GLN511 3.9 33.0 1.0
CA A:PHE510 4.0 25.3 1.0
C A:PHE510 4.0 27.8 1.0
CG B:ARG321 4.1 18.3 1.0
CD B:ARG321 4.2 21.1 1.0
CG A:PHE510 4.2 23.1 1.0
O A:GLN511 4.5 38.0 1.0
O B:ARG321 4.7 17.4 1.0
C A:GLN511 4.7 39.5 1.0
CA B:ARG321 4.7 12.8 1.0
C B:ARG321 4.9 17.7 1.0
CG A:GLN511 4.9 36.6 1.0

Chlorine binding site 2 out of 8 in 6o4c

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Chlorine binding site 2 out of 8 in the Structure of ALDH7A1 Mutant W175A Complexed with Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of ALDH7A1 Mutant W175A Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:23.5
occ:1.00
 O A:HOH852 3.1 24.3 1.0
N B:GLN511 3.1 28.5 1.0
NE A:ARG321 3.1 18.8 1.0
NH1 A:ARG321 3.5 16.5 1.0
CG1 A:VAL287 3.7 13.4 1.0
CZ A:ARG321 3.8 20.8 1.0
CB B:PHE510 3.8 22.5 1.0
CB A:ARG321 3.8 14.4 1.0
CD1 B:PHE510 3.8 18.9 1.0
CB A:VAL287 3.9 14.7 1.0
CA B:PHE510 3.9 26.6 1.0
CB B:GLN511 3.9 35.6 1.0
CG B:GLN511 4.0 34.1 1.0
C B:PHE510 4.0 33.6 1.0
CA B:GLN511 4.0 36.6 1.0
CG A:ARG321 4.1 16.2 1.0
CG2 A:VAL287 4.1 15.3 1.0
CD A:ARG321 4.2 16.6 1.0
OXT B:GLN511 4.2 44.9 1.0
CG B:PHE510 4.3 20.1 1.0
C B:GLN511 4.5 42.7 1.0
CD B:GLN511 4.6 40.3 1.0
O A:ARG321 4.7 17.7 1.0
CA A:ARG321 4.8 14.2 1.0
C A:ARG321 4.9 18.5 1.0
CE1 B:PHE510 5.0 19.1 1.0

Chlorine binding site 3 out of 8 in 6o4c

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Chlorine binding site 3 out of 8 in the Structure of ALDH7A1 Mutant W175A Complexed with Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of ALDH7A1 Mutant W175A Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl605

b:24.5
occ:1.00
 NE D:ARG321 3.2 17.2 1.0
O D:HOH793 3.2 22.0 1.0
N C:GLN511 3.2 39.9 1.0
NH1 D:ARG321 3.5 23.4 1.0
CG1 D:VAL287 3.7 16.9 1.0
CB C:PHE510 3.7 29.3 1.0
CZ D:ARG321 3.8 22.0 1.0
CD1 C:PHE510 3.8 22.2 1.0
CB C:GLN511 3.8 41.7 1.0
CG C:GLN511 3.8 41.2 1.0
CB D:ARG321 3.9 17.6 1.0
CA C:PHE510 3.9 30.0 1.0
CB D:VAL287 4.0 13.7 1.0
C C:PHE510 4.0 37.3 1.0
CA C:GLN511 4.1 44.6 1.0
CG D:ARG321 4.2 17.2 1.0
CG2 D:VAL287 4.2 15.2 1.0
CD D:ARG321 4.3 17.8 1.0
CG C:PHE510 4.3 25.0 1.0
CD C:GLN511 4.6 38.1 1.0
O C:HOH719 4.7 31.8 1.0
O D:ARG321 4.7 18.6 1.0
CA D:ARG321 4.8 14.8 1.0
O C:GLN511 4.9 50.6 1.0
CE1 C:PHE510 4.9 22.7 1.0
C D:ARG321 5.0 14.9 1.0

Chlorine binding site 4 out of 8 in 6o4c

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Chlorine binding site 4 out of 8 in the Structure of ALDH7A1 Mutant W175A Complexed with Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of ALDH7A1 Mutant W175A Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl606

b:24.7
occ:1.00
 N D:GLN511 3.0 33.8 1.0
O C:HOH783 3.1 22.2 1.0
NE C:ARG321 3.2 17.8 1.0
CB D:GLN511 3.5 35.8 1.0
NH1 C:ARG321 3.6 20.2 1.0
CG1 C:VAL287 3.6 13.8 1.0
CB D:PHE510 3.8 20.2 1.0
CA D:GLN511 3.8 39.8 1.0
CZ C:ARG321 3.8 23.1 1.0
CB C:ARG321 3.9 14.6 1.0
CB C:VAL287 3.9 12.1 1.0
CA D:PHE510 3.9 21.9 1.0
CD1 D:PHE510 3.9 20.5 1.0
C D:PHE510 4.0 33.7 1.0
CG C:ARG321 4.1 14.2 1.0
CG2 C:VAL287 4.2 13.8 1.0
CD C:ARG321 4.2 14.5 1.0
O D:GLN511 4.3 49.1 1.0
CG D:PHE510 4.4 21.3 1.0
C D:GLN511 4.6 47.4 1.0
O C:ARG321 4.7 16.5 1.0
CA C:ARG321 4.8 12.8 1.0
CG D:GLN511 4.8 40.4 1.0
C C:ARG321 4.9 17.9 1.0

Chlorine binding site 5 out of 8 in 6o4c

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Chlorine binding site 5 out of 8 in the Structure of ALDH7A1 Mutant W175A Complexed with Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of ALDH7A1 Mutant W175A Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl605

b:20.4
occ:1.00
 O F:HOH785 3.1 16.3 1.0
N E:GLN511 3.1 24.1 1.0
NE F:ARG321 3.2 16.9 1.0
O E:HOH710 3.3 24.6 1.0
CB E:GLN511 3.5 28.6 1.0
CG1 F:VAL287 3.6 13.3 1.0
NH1 F:ARG321 3.6 18.9 1.0
CB F:ARG321 3.7 13.3 1.0
CB E:PHE510 3.8 20.4 1.0
CB F:VAL287 3.8 11.7 1.0
CZ F:ARG321 3.9 22.4 1.0
CD1 E:PHE510 3.9 17.9 1.0
CA E:GLN511 3.9 26.8 1.0
CG F:ARG321 4.0 16.8 1.0
CG2 F:VAL287 4.1 12.5 1.0
CA E:PHE510 4.1 22.1 1.0
C E:PHE510 4.1 27.8 1.0
CD F:ARG321 4.2 16.6 1.0
CG E:PHE510 4.3 20.7 1.0
O E:GLN511 4.6 34.9 1.0
O F:ARG321 4.7 16.1 1.0
CA F:ARG321 4.7 13.0 1.0
C E:GLN511 4.7 35.7 1.0
CG E:GLN511 4.8 33.1 1.0
C F:ARG321 4.9 17.0 1.0

Chlorine binding site 6 out of 8 in 6o4c

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Chlorine binding site 6 out of 8 in the Structure of ALDH7A1 Mutant W175A Complexed with Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of ALDH7A1 Mutant W175A Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl606

b:21.2
occ:1.00
 O E:HOH772 3.1 19.6 1.0
NE E:ARG321 3.2 20.2 1.0
N F:GLN511 3.2 37.0 1.0
NH1 E:ARG321 3.5 18.3 1.0
CB F:PHE510 3.6 20.3 1.0
CG1 E:VAL287 3.7 11.7 1.0
CB E:VAL287 3.7 13.2 1.0
CB E:ARG321 3.8 13.4 1.0
CZ E:ARG321 3.8 19.7 1.0
CD1 F:PHE510 3.8 18.1 1.0
CA F:PHE510 3.9 25.2 1.0
CG2 E:VAL287 3.9 15.3 1.0
CG F:GLN511 4.0 46.5 1.0
CB F:GLN511 4.0 41.5 1.0
CA F:GLN511 4.1 41.4 1.0
C F:PHE510 4.1 33.5 1.0
O F:GLN511 4.1 55.2 1.0
CG E:ARG321 4.2 15.9 1.0
CG F:PHE510 4.2 21.9 1.0
CD E:ARG321 4.2 16.1 1.0
C F:GLN511 4.5 51.3 1.0
CD F:GLN511 4.6 49.6 1.0
O E:ARG321 4.7 13.7 1.0
CA E:ARG321 4.8 11.9 1.0
C E:ARG321 4.9 14.9 1.0
CE1 F:PHE510 5.0 20.5 1.0

Chlorine binding site 7 out of 8 in 6o4c

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Chlorine binding site 7 out of 8 in the Structure of ALDH7A1 Mutant W175A Complexed with Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of ALDH7A1 Mutant W175A Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl606

b:31.7
occ:1.00
 O H:HOH818 2.8 30.0 1.0
NE H:ARG321 3.2 29.3 1.0
N G:GLN511 3.2 51.4 1.0
CG G:GLN511 3.6 51.3 1.0
CB H:ARG321 3.6 19.6 1.0
CG1 H:VAL287 3.7 17.7 1.0
NH1 H:ARG321 3.8 27.0 1.0
CA G:PHE510 3.8 44.4 1.0
CD1 G:PHE510 3.9 34.5 1.0
CZ H:ARG321 3.9 29.8 1.0
CB G:PHE510 3.9 41.1 1.0
CG H:ARG321 3.9 25.4 1.0
C G:PHE510 4.0 49.9 1.0
CB H:VAL287 4.0 15.2 1.0
CD H:ARG321 4.1 28.6 1.0
CB G:GLN511 4.2 51.0 1.0
CA G:GLN511 4.2 54.1 1.0
CG2 H:VAL287 4.3 19.1 1.0
CG G:PHE510 4.4 39.0 1.0
CD G:GLN511 4.4 53.9 1.0
OXT G:GLN511 4.4 62.2 1.0
CA H:ARG321 4.6 19.6 1.0
O H:ARG321 4.6 21.5 1.0
C G:GLN511 4.7 61.5 1.0
NE2 G:GLN511 4.8 54.8 1.0
C H:ARG321 4.8 19.5 1.0
CE1 G:PHE510 5.0 31.8 1.0

Chlorine binding site 8 out of 8 in 6o4c

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Chlorine binding site 8 out of 8 in the Structure of ALDH7A1 Mutant W175A Complexed with Nad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of ALDH7A1 Mutant W175A Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl607

b:23.7
occ:1.00
 O G:HOH775 3.1 25.9 1.0
NE G:ARG321 3.1 21.8 1.0
N H:GLN511 3.1 29.9 1.0
O H:HOH747 3.2 30.3 1.0
NH1 G:ARG321 3.5 20.0 1.0
CB H:GLN511 3.6 36.5 1.0
CG1 G:VAL287 3.7 14.3 1.0
CZ G:ARG321 3.8 19.5 1.0
CB G:ARG321 3.8 15.1 1.0
CB H:PHE510 3.8 21.4 1.0
CA H:PHE510 3.9 19.4 1.0
CA H:GLN511 4.0 36.6 1.0
CD1 H:PHE510 4.0 20.2 1.0
CB G:VAL287 4.0 14.2 1.0
C H:PHE510 4.0 29.9 1.0
CG G:ARG321 4.1 17.1 1.0
CD G:ARG321 4.1 17.9 1.0
CG2 G:VAL287 4.2 15.7 1.0
CG H:PHE510 4.4 21.5 1.0
CG H:GLN511 4.4 42.9 1.0
O G:ARG321 4.7 18.1 1.0
O H:GLN511 4.7 44.9 1.0
CA G:ARG321 4.7 13.6 1.0
CD H:GLN511 4.8 43.1 1.0
C H:GLN511 4.9 44.2 1.0
O H:HOH704 4.9 28.4 1.0
C G:ARG321 4.9 15.6 1.0

Reference:

A.R.Laciak, D.A.Korasick, J.W.Wyatt, K.S.Gates, J.J.Tanner. Structural and Biochemical Consequences of Pyridoxine-Dependent Epilepsy Mutations That Target the Aldehyde Binding Site of Aldehyde Dehydrogenase ALDH7A1. Febs J. 2019.
ISSN: ISSN 1742-464X
PubMed: 31302938
DOI: 10.1111/FEBS.14997
Page generated: Mon Jul 29 12:28:13 2024

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