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Potassium in PDB 1jvj: Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine

Enzymatic activity of Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine

All present enzymatic activity of Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine, PDB code: 1jvj was solved by X.Wang, G.Minasov, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.73
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.303, 61.685, 89.139, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 19.3

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine (pdb code 1jvj). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine, PDB code: 1jvj:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in 1jvj

Go back to Potassium Binding Sites List in 1jvj
Potassium binding site 1 out of 5 in the Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine


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 N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K501

b:15.1
occ:1.00
 O A:ALA213 2.5 11.9 1.0
O A:ASP233 2.6 8.2 1.0
O A:MET211 2.7 9.4 1.0
O A:HOH550 2.7 16.9 1.0
OD1 A:ASP233 2.9 11.1 1.0
C A:MET211 3.4 10.0 1.0
C A:ASP233 3.6 9.0 1.0
C A:ALA213 3.7 12.5 1.0
CA A:MET211 3.8 9.0 1.0
CB A:ASP214 3.9 9.9 1.0
O A:TRP210 4.0 11.0 1.0
O A:ILE127 4.0 12.3 1.0
NH2 A:ARG222 4.0 9.8 1.0
N A:ASP233 4.1 8.2 1.0
CG A:ASP233 4.1 10.3 1.0
CA A:ASP214 4.2 12.9 1.0
OD1 A:ASP214 4.2 13.9 1.0
CG2 A:ILE127 4.3 8.2 1.0
CA A:ASP233 4.3 8.6 1.0
N A:ASP214 4.4 12.9 1.0
CG A:ASP214 4.5 12.7 1.0
N A:ALA213 4.5 10.2 1.0
N A:GLU212 4.6 9.3 1.0
N A:LYS234 4.6 8.6 1.0
O A:HOH516 4.6 11.8 1.0
C A:GLU212 4.6 10.7 1.0
CA A:THR128 4.7 12.1 0.5
C A:ILE127 4.7 12.1 1.0
CB A:MET211 4.7 10.0 1.0
CA A:THR128 4.7 12.8 0.5
CA A:LYS234 4.8 7.8 1.0
CA A:ALA213 4.8 12.6 1.0
N A:MET211 4.8 9.5 1.0
C A:TRP210 4.8 10.2 1.0
CB A:ASP233 4.9 9.4 1.0
CZ A:ARG222 4.9 13.0 1.0
O A:GLU212 4.9 13.5 1.0
OD2 A:ASP233 5.0 12.2 1.0

Potassium binding site 2 out of 5 in 1jvj

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Potassium binding site 2 out of 5 in the Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine


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 N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K502

b:26.6
occ:1.00
 O A:HOH833 2.8 30.3 1.0
O A:LEU57 2.9 10.0 1.0
OE2 A:GLU58 2.9 15.3 1.0
O A:HOH796 3.4 20.5 0.5
O A:HOH565 3.5 22.3 1.0
CD A:GLU58 3.6 15.6 1.0
O A:HOH539 3.7 14.8 1.0
C A:LEU57 3.8 10.4 1.0
OE1 A:GLU58 3.9 14.9 1.0
CA A:GLU58 4.2 10.0 1.0
O A:HOH548 4.3 15.1 1.0
O A:HOH786 4.4 19.8 1.0
N A:GLU58 4.4 9.0 1.0
CG A:GLU58 4.8 16.0 1.0
O A:HOH624 4.8 24.3 1.0
CA A:LEU57 4.9 8.2 1.0
CB A:GLU58 4.9 10.9 1.0
O A:ILE56 5.0 11.0 1.0

Potassium binding site 3 out of 5 in 1jvj

Go back to Potassium Binding Sites List in 1jvj
Potassium binding site 3 out of 5 in the Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine


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 N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K503

b:11.9
occ:0.50
 OD2 A:ASP233 2.8 12.2 1.0
O A:ALA217 2.9 12.9 1.0
N A:ARG222 2.9 7.8 1.0
N A:LEU221 3.0 8.0 1.0
CD1 A:ILE246 3.3 11.6 1.0
CG A:ARG222 3.5 10.3 1.0
CB A:LEU220 3.5 8.8 1.0
CA A:LEU221 3.6 8.9 1.0
C A:LEU220 3.6 9.6 1.0
CB A:ALA217 3.7 11.8 1.0
C A:LEU221 3.7 8.5 1.0
CB A:LEU221 3.7 10.3 1.0
CB A:ARG222 3.7 11.0 1.0
CD A:ARG222 3.8 11.6 1.0
C A:ALA217 3.9 11.5 1.0
CA A:ARG222 3.9 9.5 1.0
CA A:LEU220 3.9 9.4 1.0
CG A:ASP233 4.0 10.3 1.0
NE A:ARG222 4.2 11.9 1.0
N A:LEU220 4.3 11.0 1.0
CD1 A:ILE231 4.4 10.7 1.0
CA A:ALA217 4.4 11.2 1.0
O A:LEU220 4.5 6.8 1.0
CG A:LEU221 4.6 9.7 1.0
CG A:LEU220 4.6 11.6 1.0
CG1 A:ILE246 4.8 9.4 1.0
CB A:ASP233 4.8 9.4 1.0
O A:LEU221 4.9 9.5 1.0
CD1 A:LEU220 4.9 12.1 1.0
N A:GLY218 4.9 10.7 1.0
OD1 A:ASP233 4.9 11.1 1.0

Potassium binding site 4 out of 5 in 1jvj

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Potassium binding site 4 out of 5 in the Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine


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 N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K504

b:13.2
occ:0.50
 O A:LEU113 2.6 14.2 1.0
O A:TYR97 2.6 11.9 1.0
O A:HOH852 2.8 17.4 0.5
O A:HOH775 2.9 24.7 1.0
O A:HOH741 2.9 29.5 1.0
O A:HOH852 3.1 20.0 0.5
O A:HOH728 3.1 35.3 1.0
O A:HOH837 3.1 22.6 0.6
O A:HOH837 3.2 20.0 0.4
O A:HOH553 3.6 17.6 1.0
C A:LEU113 3.7 12.5 1.0
C A:TYR97 3.7 11.3 1.0
OG A:SER98 4.2 11.9 0.5
CA A:SER98 4.3 13.2 1.0
O A:THR114 4.3 12.6 1.0
N A:SER98 4.5 12.3 1.0
N A:TYR97 4.5 11.2 1.0
CA A:LEU113 4.5 12.2 1.0
N A:THR114 4.6 13.3 1.0
CB A:SER98 4.6 14.1 1.0
CA A:THR114 4.6 12.9 1.0
O A:HOH578 4.7 17.8 1.0
C A:THR114 4.7 13.1 1.0
CA A:TYR97 4.7 10.6 1.0
O A:HOH700 4.8 23.7 0.5
CB A:LEU113 4.8 13.1 1.0

Potassium binding site 5 out of 5 in 1jvj

Go back to Potassium Binding Sites List in 1jvj
Potassium binding site 5 out of 5 in the Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of N132A Mutant of Tem-1 Beta-Lactamase in Complex with A N-Formimidoyl-Thienamycine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K505

b:16.9
occ:0.50
 O A:HOH700 2.8 24.4 0.5
O A:HOH570 2.8 21.2 1.0
N A:GLU63 3.0 10.8 1.0
CD A:PRO62 3.6 10.5 1.0
CA A:GLU63 3.6 10.2 1.0
CB A:GLU63 3.6 13.9 1.0
C A:ARG61 3.7 10.8 1.0
N A:PRO62 3.7 11.0 1.0
C A:GLU63 3.7 12.2 1.0
CA A:ARG61 3.7 10.9 1.0
N A:GLU64 3.9 10.8 1.0
CG A:PRO62 3.9 11.7 1.0
CG A:GLU64 4.0 11.7 1.0
C A:PRO62 4.2 10.2 1.0
O A:GLU63 4.2 12.7 1.0
O A:ARG61 4.2 7.7 1.0
CA A:PRO62 4.4 11.8 1.0
CG A:GLU63 4.5 17.4 1.0
O A:HOH666 4.6 23.0 0.5
N A:ARG61 4.7 8.7 1.0
OE2 A:GLU64 4.7 14.9 1.0
CB A:ARG61 4.8 12.1 1.0
CA A:GLU64 4.8 10.2 1.0
O A:HOH584 4.8 18.7 1.0
CB A:GLU64 4.9 10.1 1.0
CD A:GLU64 4.9 14.2 1.0
CB A:PRO62 4.9 10.9 1.0

Reference:

X.Wang, G.Minasov, B.K.Shoichet. Noncovalent Interaction Energies in Covalent Complexes: Tem-1 Beta-Lactamase and Beta-Lactams. Proteins V. 47 86 2002.
ISSN: ISSN 0887-3585
PubMed: 11870868
DOI: 10.1002/PROT.10058.ABS
Page generated: Mon Aug 12 04:40:53 2024

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