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Sodium in PDB 4qfe: Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis

Enzymatic activity of Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis

All present enzymatic activity of Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis:
4.2.1.17;

Protein crystallography data

The structure of Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis, PDB code: 4qfe 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) 46.32 / 1.95
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 78.290, 86.580, 106.160, 84.96, 73.62, 83.18
R / Rfree (%) 19.7 / 22.3

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis (pdb code 4qfe). 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 An Enoyl-Coa Hydratase From Mycobacterium Smegmatis, PDB code: 4qfe:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in 4qfe

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Sodium binding site 1 out of 4 in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis


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 An Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na305

b:18.7
occ:1.00
 O A:HOH548 1.9 30.3 1.0
O F:GLY215 2.2 30.8 1.0
O F:HOH482 2.3 26.8 1.0
O A:GLY215 2.3 24.7 1.0
O D:GLY215 2.3 25.0 1.0
C F:GLY215 3.4 28.4 1.0
C A:GLY215 3.4 23.0 1.0
C D:GLY215 3.5 22.2 1.0
CA F:GLY215 4.0 26.6 1.0
CA A:GLY215 4.0 21.4 1.0
CA D:GLY215 4.2 21.9 1.0
N F:GLU216 4.5 28.0 1.0
N A:GLU216 4.5 22.5 1.0
N D:GLU216 4.5 22.2 1.0
CA D:GLU216 4.7 24.4 1.0
CA F:GLU216 4.8 29.5 1.0
O D:HOH455 4.8 20.1 1.0
CA A:GLU216 4.8 23.8 1.0
O F:HOH442 4.9 31.8 1.0

Sodium binding site 2 out of 4 in 4qfe

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Sodium binding site 2 out of 4 in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis


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 An Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na305

b:26.6
occ:1.00
 O B:GLY215 2.2 30.6 1.0
O E:GLY215 2.2 28.8 1.0
O H:GLY215 2.2 31.0 1.0
O B:HOH519 2.3 39.5 1.0
O B:HOH460 2.3 35.6 1.0
C H:GLY215 3.4 27.4 1.0
C E:GLY215 3.4 26.3 1.0
C B:GLY215 3.4 28.0 1.0
CA H:GLY215 4.0 26.3 1.0
CA E:GLY215 4.0 24.2 1.0
CA B:GLY215 4.1 26.5 1.0
N B:GLU216 4.5 28.0 1.0
N H:GLU216 4.5 28.3 1.0
N E:GLU216 4.5 27.1 1.0
CA B:GLU216 4.7 28.4 1.0
CA E:GLU216 4.7 27.6 1.0
CA H:GLU216 4.8 29.4 1.0
O B:HOH418 4.9 24.5 1.0

Sodium binding site 3 out of 4 in 4qfe

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Sodium binding site 3 out of 4 in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis


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 An Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Na304

b:23.7
occ:1.00
 O L:GLY215 2.2 22.9 1.0
O I:GLY215 2.2 28.0 1.0
O L:HOH403 2.2 32.1 1.0
O G:GLY215 2.3 29.8 1.0
C L:GLY215 3.3 24.3 1.0
C I:GLY215 3.4 24.2 1.0
C G:GLY215 3.4 26.9 1.0
O G:HOH460 3.6 31.2 1.0
CA L:GLY215 3.9 24.4 1.0
CA I:GLY215 4.0 23.3 1.0
CA G:GLY215 4.0 25.7 1.0
N L:GLU216 4.4 23.7 1.0
N I:GLU216 4.4 24.8 1.0
N G:GLU216 4.5 27.0 1.0
CA L:GLU216 4.7 25.2 1.0
CA I:GLU216 4.7 25.8 1.0
CA G:GLU216 4.8 27.2 1.0
O G:HOH426 4.9 22.8 1.0
O L:HOH426 4.9 22.7 1.0
O I:HOH444 4.9 22.1 1.0

Sodium binding site 4 out of 4 in 4qfe

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Sodium binding site 4 out of 4 in the Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis


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 An Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Na307

b:16.3
occ:1.00
 O K:GLY215 2.2 21.1 1.0
O J:GLY215 2.2 22.7 1.0
O C:GLY215 2.2 23.1 1.0
O J:HOH533 2.5 37.7 1.0
O C:HOH403 2.7 29.3 1.0
C K:GLY215 3.3 20.5 1.0
C C:GLY215 3.4 21.2 1.0
C J:GLY215 3.4 21.2 1.0
CA K:GLY215 3.9 19.7 1.0
CA C:GLY215 4.0 20.6 1.0
CA J:GLY215 4.1 19.7 1.0
N K:GLU216 4.4 19.6 1.0
N J:GLU216 4.4 20.8 1.0
N C:GLU216 4.5 21.2 1.0
CA J:GLU216 4.7 20.8 1.0
CA K:GLU216 4.8 19.9 1.0
CA C:GLU216 4.8 22.4 1.0
O J:HOH441 4.8 16.9 1.0

Reference:

D.M.Dranow, T.E.Edwards, D.Lorimer. Crystal Structure of An Enoyl-Coa Hydratase From Mycobacterium Smegmatis To Be Published.
Page generated: Sun Aug 17 21:24:43 2025

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