Sodium in PDB 7l6c: Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad

Enzymatic activity of Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad

All present enzymatic activity of Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad:
1.3.1.9;

Protein crystallography data

The structure of Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad, PDB code: 7l6c was solved by 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) 46.31 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 206.66, 92.63, 98.13, 90, 118.32, 90
R / Rfree (%) 19 / 21.9

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad (pdb code 7l6c). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad, PDB code: 7l6c:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in 7l6c

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Sodium binding site 1 out of 4 in the Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na304

b:29.6
occ:1.00
 O A:HOH599 2.3 30.6 1.0
O A:HOH608 2.4 34.7 1.0
O A:ALA226 2.4 25.9 1.0
O A:HOH604 2.5 31.0 1.0
O A:ASP223 2.5 23.5 1.0
O A:GLN224 2.9 28.7 1.0
C A:GLN224 3.4 26.1 1.0
C A:ALA226 3.5 22.4 1.0
C A:ASP223 3.6 22.9 1.0
CA A:GLN224 3.8 23.5 1.0
N A:ALA226 4.0 21.6 1.0
O A:HOH547 4.0 44.5 1.0
N A:GLN224 4.2 24.0 1.0
N A:GLY229 4.2 24.2 1.0
CA A:ALA226 4.3 22.2 1.0
CA A:GLY229 4.3 25.6 1.0
C A:ARG225 4.3 24.9 1.0
N A:ARG225 4.4 24.4 1.0
O A:HOH427 4.4 34.6 1.0
N A:PRO227 4.5 22.0 1.0
O A:HOH487 4.5 37.6 1.0
O A:HOH420 4.6 39.7 1.0
CA A:PRO227 4.6 22.2 1.0
C A:PRO227 4.7 21.7 1.0
CB A:ALA226 4.7 21.8 1.0
O A:ARG225 4.7 22.7 1.0
O A:PRO227 4.8 27.4 1.0
CA A:ASP223 4.9 25.3 1.0
CA A:ARG225 4.9 25.0 1.0
OD1 A:ASP223 5.0 28.4 1.0

Sodium binding site 2 out of 4 in 7l6c

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Sodium binding site 2 out of 4 in the Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na302

b:30.9
occ:1.00
 O B:HOH555 2.3 34.1 1.0
O B:ALA226 2.3 25.5 1.0
O B:HOH562 2.4 37.7 1.0
O B:HOH556 2.4 33.3 1.0
O B:ASP223 2.4 29.2 1.0
O B:GLN224 2.9 28.7 1.0
C B:GLN224 3.4 31.4 1.0
C B:ALA226 3.4 26.2 1.0
C B:ASP223 3.6 28.9 1.0
CA B:GLN224 3.8 31.1 1.0
N B:ALA226 3.9 23.8 1.0
CA B:ALA226 4.2 22.8 1.0
N B:GLY229 4.2 27.1 1.0
N B:GLN224 4.2 26.1 1.0
C B:ARG225 4.2 27.8 1.0
O B:HOH445 4.3 28.1 0.5
N B:ARG225 4.3 27.7 1.0
CA B:GLY229 4.3 28.0 1.0
O B:HOH465 4.4 37.9 1.0
N B:PRO227 4.4 25.2 1.0
CA B:PRO227 4.5 24.0 1.0
CB B:ALA226 4.6 21.4 1.0
C B:PRO227 4.7 26.9 1.0
O B:ARG225 4.7 27.5 1.0
O B:HOH507 4.8 31.1 0.4
CA B:ARG225 4.8 30.1 1.0
CA B:ASP223 4.8 30.9 1.0
O B:HOH507 4.9 30.4 0.6
O B:PRO227 4.9 28.7 1.0
OD1 B:ASP223 5.0 30.8 1.0

Sodium binding site 3 out of 4 in 7l6c

Go back to Sodium Binding Sites List in 7l6c
Sodium binding site 3 out of 4 in the Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na302

b:24.4
occ:1.00
 O C:HOH562 2.3 31.8 1.0
O C:ALA226 2.3 22.6 1.0
O C:HOH581 2.3 31.6 1.0
O C:ASP223 2.3 24.7 1.0
O C:HOH589 2.6 32.9 1.0
O C:GLN224 2.9 27.9 1.0
C C:ALA226 3.4 23.7 1.0
C C:GLN224 3.5 25.2 1.0
C C:ASP223 3.5 27.9 1.0
CA C:GLN224 3.8 27.9 1.0
N C:GLY229 4.0 24.1 1.0
N C:ALA226 4.0 22.8 1.0
O C:HOH490 4.0 39.5 1.0
N C:GLN224 4.1 27.0 1.0
CA C:GLY229 4.1 23.9 1.0
CA C:ALA226 4.2 22.9 1.0
O C:HOH438 4.3 43.4 1.0
O C:HOH536 4.3 40.3 1.0
N C:PRO227 4.4 23.0 1.0
C C:ARG225 4.4 24.2 1.0
CA C:PRO227 4.4 25.7 1.0
N C:ARG225 4.4 24.8 1.0
C C:PRO227 4.4 22.5 1.0
O C:PRO227 4.6 24.9 1.0
O C:HOH584 4.6 34.5 1.0
O C:HOH579 4.6 37.9 1.0
CB C:ALA226 4.7 22.2 1.0
CA C:ASP223 4.7 24.6 1.0
OD1 C:ASP223 4.8 26.4 1.0
O C:ARG225 4.8 25.7 1.0
CG C:ASP223 4.9 33.0 1.0
CA C:ARG225 4.9 25.3 0.6
N C:ILE228 4.9 23.0 1.0
CA C:ARG225 4.9 25.4 0.5
OD2 C:ASP223 5.0 31.7 1.0

Sodium binding site 4 out of 4 in 7l6c

Go back to Sodium Binding Sites List in 7l6c
Sodium binding site 4 out of 4 in the Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na302

b:26.9
occ:1.00
 O D:HOH548 2.2 31.3 1.0
O D:ALA226 2.3 24.9 1.0
O D:HOH557 2.4 33.9 1.0
O D:ASP223 2.5 27.6 1.0
O D:HOH562 2.6 35.1 1.0
O D:GLN224 2.8 30.8 1.0
O D:HOH403 3.3 35.2 1.0
C D:GLN224 3.4 30.9 1.0
C D:ALA226 3.5 29.8 1.0
C D:ASP223 3.6 27.5 1.0
CA D:GLN224 3.8 30.6 1.0
N D:ALA226 4.0 27.1 1.0
O D:HOH500 4.2 30.2 0.5
N D:GLN224 4.2 29.1 1.0
N D:GLY229 4.2 29.2 1.0
CA D:ALA226 4.2 25.2 1.0
C D:ARG225 4.3 28.1 1.0
N D:ARG225 4.3 28.2 1.0
CA D:GLY229 4.3 26.9 1.0
N D:PRO227 4.4 25.8 1.0
CA D:PRO227 4.5 27.9 1.0
C D:PRO227 4.6 28.5 1.0
O D:HOH515 4.6 40.4 1.0
O D:HOH531 4.6 39.5 1.0
O D:ARG225 4.7 26.5 1.0
O D:HOH528 4.7 37.5 1.0
CB D:ALA226 4.7 23.2 1.0
O D:PRO227 4.7 28.1 1.0
CA D:ARG225 4.8 31.6 1.0
O D:HOH546 4.9 45.6 1.0
CA D:ASP223 4.9 32.2 1.0
OD1 D:ASP223 5.0 30.0 1.0

Reference:

J.A.Abendroth, J.K.Yano, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of Enoyl-[Acyl-Carrier-Protein] Reductase Inha From Mycobacterium Abscessus in Complex with Nad To Be Published.
Page generated: Mon Jan 25 15:54:15 2021

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