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Chlorine in PDB 6o4k: Structure of ALDH7A1 Mutant E399Q Complexed with Nad

Enzymatic activity of Structure of ALDH7A1 Mutant E399Q Complexed with Nad

All present enzymatic activity of Structure of ALDH7A1 Mutant E399Q 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 E399Q Complexed with Nad, PDB code: 6o4k 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) 49.06 / 2.06
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 155.358, 159.106, 157.716, 90.00, 95.22, 90.00
R / Rfree (%) 19.1 / 24.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of ALDH7A1 Mutant E399Q Complexed with Nad (pdb code 6o4k). 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 E399Q Complexed with Nad, PDB code: 6o4k:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6o4k

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Chlorine binding site 1 out of 8 in the Structure of ALDH7A1 Mutant E399Q 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 E399Q Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:45.6
occ:1.00
 N B:GLN511 2.9 58.0 1.0
NE A:ARG321 3.1 34.1 1.0
NH1 A:ARG321 3.6 32.9 1.0
CB B:GLN511 3.7 58.2 1.0
CB A:ARG321 3.7 33.2 1.0
CA B:GLN511 3.7 59.0 1.0
CB B:PHE510 3.8 45.6 1.0
CZ A:ARG321 3.8 34.4 1.0
O B:GLN511 3.8 56.1 1.0
CG1 A:VAL287 3.8 24.0 1.0
CA B:PHE510 3.8 49.4 1.0
C B:PHE510 3.9 55.4 1.0
CG A:ARG321 4.0 33.1 1.0
CB A:VAL287 4.1 30.9 1.0
CD A:ARG321 4.1 32.0 1.0
C B:GLN511 4.1 60.9 1.0
CD1 B:PHE510 4.2 41.3 1.0
CG2 A:VAL287 4.3 32.0 1.0
CG B:PHE510 4.5 43.3 1.0
O A:ARG321 4.6 40.0 1.0
CA A:ARG321 4.7 32.8 1.0
OE1 B:GLN511 4.7 62.0 1.0
CG B:GLN511 4.8 62.8 1.0
C A:ARG321 4.9 35.1 1.0
CD B:GLN511 5.0 61.6 1.0

Chlorine binding site 2 out of 8 in 6o4k

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Chlorine binding site 2 out of 8 in the Structure of ALDH7A1 Mutant E399Q 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 E399Q Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:45.1
occ:1.00
 NE B:ARG321 3.1 34.5 1.0
N A:GLN511 3.2 49.3 1.0
NH1 B:ARG321 3.4 40.2 1.0
CG1 B:VAL287 3.6 37.1 1.0
CZ B:ARG321 3.7 42.5 1.0
CB B:VAL287 3.8 35.1 1.0
CB A:PHE510 3.8 52.7 1.0
CB A:GLN511 3.8 52.9 1.0
CD1 A:PHE510 3.8 51.8 1.0
CB B:ARG321 3.9 34.2 1.0
CG2 B:VAL287 3.9 35.4 1.0
CA A:GLN511 4.0 50.2 1.0
O A:GLN511 4.1 54.9 1.0
CA A:PHE510 4.2 55.5 1.0
CD B:ARG321 4.2 35.0 1.0
CG B:ARG321 4.2 36.7 1.0
C A:PHE510 4.2 54.2 1.0
CG A:PHE510 4.3 55.2 1.0
C A:GLN511 4.4 53.4 1.0
O B:ARG321 4.6 43.1 1.0
CA B:ARG321 4.8 37.0 1.0
CG A:GLN511 4.9 55.2 1.0
CE1 A:PHE510 4.9 53.2 1.0
NH2 B:ARG321 5.0 38.8 1.0

Chlorine binding site 3 out of 8 in 6o4k

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Chlorine binding site 3 out of 8 in the Structure of ALDH7A1 Mutant E399Q 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 E399Q Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:46.4
occ:1.00
 NE C:ARG321 3.2 52.1 1.0
CG1 C:VAL287 3.3 43.1 1.0
N D:GLN511 3.5 64.2 1.0
NH1 C:ARG321 3.5 47.4 1.0
CB D:PHE510 3.6 47.3 1.0
CG2 C:VAL287 3.6 40.4 1.0
CZ C:ARG321 3.8 47.6 1.0
CB C:ARG321 3.8 37.8 1.0
CG D:GLN511 3.8 60.6 1.0
CD1 D:PHE510 3.8 49.8 1.0
CA D:PHE510 4.0 52.8 1.0
CB C:VAL287 4.0 35.8 1.0
CG C:ARG321 4.2 41.4 1.0
O D:GLN511 4.2 63.7 1.0
CG D:PHE510 4.2 49.9 1.0
C D:PHE510 4.2 63.9 1.0
CD C:ARG321 4.3 44.5 1.0
CA D:GLN511 4.4 62.4 1.0
O C:ARG321 4.5 53.5 1.0
CB D:GLN511 4.5 61.3 1.0
CA C:ARG321 4.7 39.4 1.0
C D:GLN511 4.7 60.8 1.0
CD D:GLN511 4.8 59.4 1.0
C C:ARG321 4.8 45.1 1.0
CE1 D:PHE510 5.0 46.2 1.0

Chlorine binding site 4 out of 8 in 6o4k

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Chlorine binding site 4 out of 8 in the Structure of ALDH7A1 Mutant E399Q 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 E399Q Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl602

b:61.6
occ:1.00
 NE D:ARG321 3.2 50.6 1.0
N C:GLN511 3.3 63.2 1.0
NH1 D:ARG321 3.5 44.8 1.0
CG1 D:VAL287 3.6 37.8 1.0
CD1 C:PHE510 3.7 61.1 1.0
CB D:ARG321 3.8 45.5 1.0
CZ D:ARG321 3.8 47.5 1.0
CB D:VAL287 3.8 36.8 1.0
CB C:PHE510 3.9 54.3 1.0
CB C:GLN511 3.9 67.2 1.0
CG2 D:VAL287 4.0 37.2 1.0
CA C:PHE510 4.1 55.0 1.0
CA C:GLN511 4.1 66.5 1.0
O C:GLN511 4.1 68.8 1.0
C C:PHE510 4.1 59.8 1.0
CG D:ARG321 4.2 41.6 1.0
CG C:PHE510 4.3 60.7 1.0
CD D:ARG321 4.3 44.5 1.0
C C:GLN511 4.4 69.5 1.0
O D:ARG321 4.5 50.7 1.0
CA D:ARG321 4.7 50.1 1.0
CE1 C:PHE510 4.7 60.0 1.0
C D:ARG321 4.8 51.8 1.0
CG C:GLN511 4.9 69.6 1.0

Chlorine binding site 5 out of 8 in 6o4k

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Chlorine binding site 5 out of 8 in the Structure of ALDH7A1 Mutant E399Q 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 E399Q Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl602

b:43.1
occ:1.00
 NE E:ARG321 3.1 44.2 1.0
N F:GLN511 3.3 54.0 1.0
CB E:ARG321 3.6 27.3 1.0
NH1 E:ARG321 3.6 37.4 1.0
CB F:GLN511 3.7 58.5 1.0
CG1 E:VAL287 3.7 23.6 1.0
CZ E:ARG321 3.8 44.0 1.0
CB F:PHE510 3.9 44.2 1.0
CG E:ARG321 3.9 31.0 1.0
CD1 F:PHE510 3.9 40.3 1.0
CB E:VAL287 4.0 32.7 1.0
CA F:PHE510 4.1 48.1 1.0
CD E:ARG321 4.1 36.9 1.0
CG2 E:VAL287 4.1 39.7 1.0
CA F:GLN511 4.1 58.9 1.0
C F:PHE510 4.2 54.4 1.0
CG F:PHE510 4.4 40.1 1.0
O E:ARG321 4.4 33.1 1.0
CA E:ARG321 4.5 30.0 1.0
C E:ARG321 4.7 29.2 1.0
CD F:GLN511 4.7 64.8 1.0
CG F:GLN511 4.7 63.9 1.0
NE2 F:GLN511 4.9 67.2 1.0
OE1 F:GLN511 5.0 62.0 1.0

Chlorine binding site 6 out of 8 in 6o4k

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Chlorine binding site 6 out of 8 in the Structure of ALDH7A1 Mutant E399Q 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 E399Q Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl603

b:40.8
occ:1.00
 NE F:ARG321 3.1 31.4 1.0
N E:GLN511 3.3 61.9 1.0
NH1 F:ARG321 3.5 35.7 1.0
CG1 F:VAL287 3.6 27.0 1.0
CB E:GLN511 3.6 68.3 1.0
CB F:VAL287 3.7 29.7 1.0
CB F:ARG321 3.7 31.2 1.0
CZ F:ARG321 3.8 33.6 1.0
CB E:PHE510 3.8 51.4 1.0
CG2 F:VAL287 3.9 27.4 1.0
CD1 E:PHE510 4.1 50.6 1.0
CA E:GLN511 4.1 66.3 1.0
CG F:ARG321 4.1 36.2 1.0
CD F:ARG321 4.1 36.9 1.0
CA E:PHE510 4.2 54.2 1.0
C E:PHE510 4.2 56.6 1.0
CG E:PHE510 4.4 47.2 1.0
O E:GLN511 4.7 65.3 1.0
CA F:ARG321 4.7 35.9 1.0
O F:ARG321 4.8 35.1 1.0
C E:GLN511 4.9 67.9 1.0
CG E:GLN511 4.9 71.0 1.0
C F:ARG321 5.0 39.2 1.0

Chlorine binding site 7 out of 8 in 6o4k

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Chlorine binding site 7 out of 8 in the Structure of ALDH7A1 Mutant E399Q 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 E399Q Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl602

b:50.1
occ:1.00
 NE G:ARG321 3.0 38.6 1.0
NH1 G:ARG321 3.2 37.9 1.0
N H:GLN511 3.4 56.9 1.0
CZ G:ARG321 3.6 40.7 1.0
CG1 G:VAL287 3.7 22.9 1.0
CB H:GLN511 3.7 61.6 1.0
CD1 H:PHE510 3.8 51.0 1.0
CB G:VAL287 3.8 22.9 1.0
CB G:ARG321 3.9 30.1 1.0
CG2 G:VAL287 4.0 28.9 1.0
CB H:PHE510 4.0 47.5 1.0
CA H:GLN511 4.0 60.7 1.0
CD G:ARG321 4.2 31.3 1.0
CG G:ARG321 4.2 32.7 1.0
CA H:PHE510 4.3 48.8 1.0
C H:PHE510 4.3 54.6 1.0
CG H:PHE510 4.4 52.4 1.0
C H:GLN511 4.5 59.9 1.0
O H:GLN511 4.6 59.2 1.0
O G:ARG321 4.8 37.3 1.0
CG H:GLN511 4.8 65.2 1.0
CE1 H:PHE510 4.8 48.9 1.0
CA G:ARG321 4.8 30.9 1.0
NH2 G:ARG321 4.9 38.2 1.0
CD H:GLN511 5.0 62.1 1.0

Chlorine binding site 8 out of 8 in 6o4k

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Chlorine binding site 8 out of 8 in the Structure of ALDH7A1 Mutant E399Q 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 E399Q Complexed with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl602

b:54.8
occ:1.00
 NE H:ARG321 2.9 47.0 1.0
O H:HOH766 3.2 43.1 1.0
NH1 H:ARG321 3.2 57.6 1.0
CZ H:ARG321 3.5 53.6 1.0
CB H:ARG321 3.7 33.5 1.0
CG1 H:VAL287 4.0 34.4 1.0
CG H:ARG321 4.0 40.7 1.0
CD H:ARG321 4.0 43.9 1.0
CB H:VAL287 4.1 31.5 1.0
CG2 H:VAL287 4.1 29.8 1.0
CA H:ARG321 4.7 33.5 1.0
O H:ARG321 4.8 43.7 1.0
NH2 H:ARG321 4.8 58.9 1.0
C H:ARG321 5.0 37.2 1.0

Reference:

A.R.Laciak, D.A.Korasick, K.S.Gates, J.J.Tanner. Structural Analysis of Pathogenic Mutations Targeting GLU427 of ALDH7A1, the Hot Spot Residue of Pyridoxine-Dependent Epilepsy. J. Inherit. Metab. Dis. 2019.
ISSN: ISSN 1573-2665
PubMed: 31652343
DOI: 10.1002/JIMD.12184
Page generated: Mon Jul 29 12:29:02 2024

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