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Potassium in PDB 4jay: Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+

Enzymatic activity of Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+

All present enzymatic activity of Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+:
1.1.1.158;

Protein crystallography data

The structure of Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+, PDB code: 4jay was solved by M.W.Chen, B.Lohkamp, R.Schnell, J.Lescar, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.33 / 2.23
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 153.700, 154.350, 64.470, 90.00, 102.26, 90.00
R / Rfree (%) 22.3 / 25.8

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+ (pdb code 4jay). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+, PDB code: 4jay:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 4jay

Go back to Potassium Binding Sites List in 4jay
Potassium binding site 1 out of 4 in the Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1004

b:20.0
occ:1.00
OE2 A:GLU335 2.3 34.8 1.0
O A:SER239 2.7 19.1 1.0
OD1 A:ASN57 2.7 17.1 1.0
O A:ALA237 2.7 16.2 1.0
O7N A:NAP1002 3.0 15.4 1.0
CD A:GLU335 3.2 32.9 1.0
C A:SER239 3.7 19.2 1.0
N A:SER239 3.8 19.2 1.0
C1' A:FAD1001 3.8 13.0 1.0
CG A:GLU335 3.8 33.0 1.0
CG A:ASN57 3.8 17.4 1.0
C7N A:NAP1002 3.9 15.0 1.0
C A:ALA237 3.9 18.6 1.0
N7N A:NAP1002 4.0 13.9 1.0
C A:GLY238 4.1 19.9 1.0
CB A:GLU335 4.2 31.5 1.0
OE1 A:GLU335 4.2 33.9 1.0
N10 A:FAD1001 4.2 12.0 1.0
CA A:SER239 4.2 19.3 1.0
CA A:GLY238 4.4 18.9 1.0
CG A:PRO336 4.5 31.0 1.0
CB A:SER239 4.5 19.0 1.0
NE2 A:GLN127 4.6 21.1 1.0
N A:GLY238 4.6 19.3 1.0
C9A A:FAD1001 4.6 11.4 1.0
ND2 A:ASN57 4.7 17.9 1.0
CD A:PRO336 4.7 28.7 1.0
CB A:ASN57 4.7 16.7 1.0
C10 A:FAD1001 4.7 11.5 1.0
C9 A:FAD1001 4.8 11.4 1.0
O A:GLY238 4.8 21.6 1.0
N A:PRO336 4.8 29.1 1.0
N A:PHE240 4.9 19.3 1.0
N1 A:FAD1001 4.9 11.3 1.0
CB A:ALA237 4.9 19.2 1.0
O A:SER56 4.9 13.1 1.0

Potassium binding site 2 out of 4 in 4jay

Go back to Potassium Binding Sites List in 4jay
Potassium binding site 2 out of 4 in the Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K401

b:16.3
occ:1.00
OE2 B:GLU335 2.4 36.8 1.0
OD1 B:ASN57 2.7 22.1 1.0
O B:ALA237 2.7 18.8 1.0
O B:SER239 2.9 22.1 1.0
O7N B:NAP403 3.0 15.8 1.0
CD B:GLU335 3.3 35.6 1.0
C1' B:FAD402 3.5 15.3 1.0
CG B:ASN57 3.8 21.1 1.0
N B:SER239 3.9 21.6 1.0
C B:SER239 3.9 22.1 1.0
CG B:GLU335 3.9 36.0 1.0
C B:ALA237 3.9 19.9 1.0
C7N B:NAP403 3.9 15.5 1.0
N10 B:FAD402 3.9 15.7 1.0
N7N B:NAP403 4.1 14.1 1.0
C B:GLY238 4.2 21.8 1.0
OE1 B:GLU335 4.2 40.6 1.0
CB B:GLU335 4.3 34.1 1.0
CA B:SER239 4.3 21.5 1.0
CA B:GLY238 4.4 20.7 1.0
C9A B:FAD402 4.5 16.6 1.0
NE2 B:GLN127 4.5 28.3 1.0
C10 B:FAD402 4.5 15.0 1.0
CG B:PRO336 4.6 30.3 1.0
C9 B:FAD402 4.6 16.7 1.0
CB B:SER239 4.6 22.2 1.0
N B:GLY238 4.6 20.2 1.0
CB B:ASN57 4.6 19.7 1.0
ND2 B:ASN57 4.7 22.0 1.0
N1 B:FAD402 4.7 14.3 1.0
O B:SER56 4.8 16.3 1.0
CD B:PRO336 4.8 29.3 1.0
C2' B:FAD402 4.8 14.6 1.0
CB B:ALA237 4.9 19.9 1.0
O B:GLY238 4.9 23.5 1.0
CA B:ASN57 4.9 19.5 1.0
N B:PRO336 4.9 30.4 1.0
CA B:ALA237 5.0 19.9 1.0

Potassium binding site 3 out of 4 in 4jay

Go back to Potassium Binding Sites List in 4jay
Potassium binding site 3 out of 4 in the Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K401

b:19.7
occ:1.00
OE2 C:GLU335 2.3 30.3 1.0
OD1 C:ASN57 2.7 22.4 1.0
O C:SER239 2.7 16.5 1.0
O C:ALA237 2.8 18.4 1.0
O7N C:NAP403 3.1 22.8 1.0
CD C:GLU335 3.2 29.8 1.0
C1' C:FAD402 3.7 16.3 1.0
CG C:GLU335 3.7 29.3 1.0
C C:SER239 3.8 17.6 1.0
CG C:ASN57 3.8 22.0 1.0
N C:SER239 3.8 18.7 1.0
C C:ALA237 4.0 19.7 1.0
C7N C:NAP403 4.0 20.6 1.0
N7N C:NAP403 4.0 17.3 1.0
CB C:GLU335 4.1 28.4 1.0
OE1 C:GLU335 4.1 30.2 1.0
N10 C:FAD402 4.2 16.2 1.0
C C:GLY238 4.2 19.1 1.0
CA C:SER239 4.3 18.3 1.0
CG C:PRO336 4.4 29.0 1.0
CA C:GLY238 4.5 19.3 1.0
NE2 C:GLN127 4.5 28.0 1.0
CB C:SER239 4.6 18.7 1.0
ND2 C:ASN57 4.6 21.8 1.0
CD C:PRO336 4.6 28.6 1.0
C9A C:FAD402 4.7 16.0 1.0
N C:GLY238 4.7 19.6 1.0
CB C:ASN57 4.7 20.4 1.0
N C:PRO336 4.7 29.0 1.0
C10 C:FAD402 4.7 15.7 1.0
C9 C:FAD402 4.8 15.9 1.0
CB C:ALA237 4.9 20.9 1.0
O C:GLY238 4.9 19.9 1.0
N C:PHE240 4.9 18.0 1.0
N1 C:FAD402 4.9 14.4 1.0
O C:SER56 4.9 16.7 1.0
C C:GLU335 4.9 28.1 1.0
C2' C:FAD402 5.0 15.1 1.0
CA C:ASN57 5.0 20.3 1.0

Potassium binding site 4 out of 4 in 4jay

Go back to Potassium Binding Sites List in 4jay
Potassium binding site 4 out of 4 in the Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of P. Aeruginosa Murb in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K401

b:19.9
occ:1.00
OE2 D:GLU335 2.3 44.8 1.0
OD1 D:ASN57 2.6 25.4 1.0
O D:ALA237 2.7 16.9 1.0
O D:SER239 2.8 18.7 1.0
O7N D:NAP403 3.1 15.5 1.0
CD D:GLU335 3.2 44.0 1.0
C1' D:FAD402 3.6 14.1 1.0
CG D:ASN57 3.7 23.4 1.0
CG D:GLU335 3.8 38.0 1.0
C D:SER239 3.8 19.2 1.0
N D:SER239 3.8 18.3 1.0
C D:ALA237 3.9 17.7 1.0
C7N D:NAP403 4.0 17.4 1.0
N10 D:FAD402 4.1 14.1 1.0
N7N D:NAP403 4.1 16.9 1.0
CB D:GLU335 4.1 33.0 1.0
OE1 D:GLU335 4.2 46.1 1.0
C D:GLY238 4.2 18.7 1.0
CA D:SER239 4.3 19.0 1.0
CA D:GLY238 4.4 18.1 1.0
CG D:PRO336 4.4 25.0 1.0
NE2 D:GLN127 4.6 32.2 1.0
C9A D:FAD402 4.6 14.5 1.0
ND2 D:ASN57 4.6 23.5 1.0
CB D:SER239 4.6 20.2 1.0
CB D:ASN57 4.6 21.1 1.0
N D:GLY238 4.6 17.8 1.0
C10 D:FAD402 4.7 14.0 1.0
C9 D:FAD402 4.7 15.3 1.0
CD D:PRO336 4.7 24.6 1.0
N D:PRO336 4.7 26.3 1.0
N1 D:FAD402 4.8 13.1 1.0
O D:SER56 4.9 16.7 1.0
CB D:ALA237 4.9 18.4 1.0
O D:GLY238 4.9 22.7 1.0
CA D:ASN57 4.9 20.3 1.0
N D:PHE240 4.9 19.0 1.0
C2' D:FAD402 4.9 13.9 1.0
C D:GLU335 5.0 27.5 1.0

Reference:

M.W.Chen, B.Lohkamp, R.Schnell, J.Lescar, G.Schneider. Substrate Channel Flexibility in Pseudomonas Aeruginosa Murb Accommodates Two Distinct Substrates. Plos One V. 8 66936 2013.
ISSN: ESSN 1932-6203
PubMed: 23805286
DOI: 10.1371/JOURNAL.PONE.0066936
Page generated: Mon Aug 12 11:04:50 2024

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