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Potassium in PDB 4chi: (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution

Enzymatic activity of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution

All present enzymatic activity of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution:
2.6.1.18;

Protein crystallography data

The structure of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution, PDB code: 4chi was solved by M.Thomsen, G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.88 / 1.27
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 102.367, 120.935, 135.464, 90.00, 90.00, 90.00
R / Rfree (%) 10.329 / 12.697

Other elements in 4chi:

The structure of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Sodium (Na) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution (pdb code 4chi). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution, PDB code: 4chi:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6;

Potassium binding site 1 out of 6 in 4chi

Go back to Potassium Binding Sites List in 4chi
Potassium binding site 1 out of 6 in the (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K501

b:11.2
occ:0.75
 SG A:CYS82 2.2 12.2 0.8
CG1 A:ILE78 2.3 8.6 0.3
CD1 A:ILE78 2.4 7.3 0.3
O A:ILE78 2.7 12.1 0.3
OG1 A:THR57 2.7 10.4 0.2
O A:ILE78 2.8 12.7 0.3
CG1 A:ILE78 2.8 5.6 0.3
O A:ILE78 2.9 7.8 0.3
CG2 A:THR57 2.9 12.0 0.8
CL A:CL503 3.1 17.8 0.3
CD1 A:ILE78 3.3 5.1 0.3
CB A:CYS82 3.5 11.1 0.8
C A:ILE78 3.6 10.8 0.3
C A:ILE78 3.6 9.9 0.3
C A:ILE78 3.6 12.4 0.3
CB A:CYS82 3.6 10.9 0.2
CB A:ILE78 3.6 8.1 0.3
CB A:ILE78 3.7 9.8 0.3
CG2 A:VAL118 3.8 13.2 1.0
N A:CYS82 3.8 10.4 1.0
CB A:VAL118 3.9 10.5 1.0
CB A:ILE78 3.9 21.5 0.3
CA A:ILE78 3.9 9.9 0.3
CA A:CYS82 4.0 10.6 0.2
CA A:ILE78 4.0 10.8 0.3
CG2 A:ILE78 4.0 6.7 0.3
CA A:CYS82 4.0 10.1 0.8
CA A:ILE78 4.0 16.0 0.3
CD1 A:ILE78 4.1 28.8 0.3
CB A:THR57 4.1 10.6 0.2
CB A:THR57 4.2 9.2 0.8
CD1 A:PHE89 4.3 19.5 1.0
CG2 A:ILE78 4.3 9.1 0.3
OG1 A:THR57 4.5 7.9 0.8
CB A:SER81 4.5 9.9 1.0
SG A:CYS82 4.5 13.9 0.2
CG1 A:ILE78 4.6 25.2 0.3
CG1 A:VAL118 4.6 11.5 1.0
C A:SER81 4.7 9.8 1.0
N A:LEU79 4.7 10.5 1.0
CE1 A:PHE89 4.7 20.1 1.0
C A:THR57 4.9 8.6 1.0
CG2 A:THR57 4.9 13.0 0.2
O A:THR57 4.9 9.3 1.0

Potassium binding site 2 out of 6 in 4chi

Go back to Potassium Binding Sites List in 4chi
Potassium binding site 2 out of 6 in the (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K502

b:9.9
occ:0.60
 K A:K502 0.0 9.9 0.6
O A:HOH1509 0.5 14.1 0.4
O A:LEU87 2.0 11.9 0.5
O A:HOH1305 2.2 38.3 1.0
O A:LEU87 2.3 18.7 0.5
SG A:CYS82 2.3 13.9 0.2
K A:K502 2.6 20.8 0.4
O A:HOH1201 2.6 32.4 1.0
O A:HOH1520 3.0 49.0 0.6
OD1 A:ASP83 3.1 20.6 0.4
CB A:CYS82 3.2 10.9 0.2
C A:LEU87 3.2 13.1 0.5
CB A:CYS82 3.2 11.1 0.8
C A:LEU87 3.2 14.7 0.5
C A:CYS82 3.4 10.6 1.0
N A:ASP83 3.4 11.0 1.0
CA A:LYS88 3.7 17.9 0.5
O A:CYS82 3.7 12.4 1.0
CA A:LYS88 3.8 16.7 0.5
CA A:ASP83 3.8 11.6 0.3
CA A:ASP83 3.8 11.3 0.4
CA A:ASP83 3.8 11.5 0.3
CA A:CYS82 3.8 10.6 0.2
N A:LYS88 3.9 14.2 1.0
N A:PHE89 3.9 18.1 1.0
CA A:CYS82 3.9 10.1 0.8
CG A:ASP83 4.1 16.4 0.4
C A:LYS88 4.3 15.7 1.0
CA A:LEU87 4.3 11.6 0.5
O A:LEU79 4.4 11.2 1.0
CA A:LEU87 4.4 11.7 0.5
CB A:ASP83 4.4 13.8 0.3
N A:LEU87 4.5 12.8 0.5
N A:LEU87 4.5 10.2 0.5
CB A:ASP83 4.5 12.9 0.3
CB A:ASP83 4.5 14.2 0.4
SG A:CYS82 4.6 12.2 0.8
CB A:LEU87 4.7 12.1 0.5
CB A:LYS88 4.8 22.5 0.5
CG A:LYS88 4.8 21.9 0.5
CB A:LEU87 4.9 11.8 0.5
CA A:PHE89 5.0 16.7 1.0
CB A:PHE89 5.0 19.0 1.0

Potassium binding site 3 out of 6 in 4chi

Go back to Potassium Binding Sites List in 4chi
Potassium binding site 3 out of 6 in the (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K502

b:20.8
occ:0.40
 K A:K502 0.0 20.8 0.4
O A:HOH1520 0.4 49.0 0.6
O A:HOH1509 2.2 14.1 0.4
OD1 A:ASP83 2.5 20.6 0.4
K A:K502 2.6 9.9 0.6
O A:HOH1201 2.7 32.4 1.0
O A:LEU79 2.9 11.2 1.0
CG A:ASP83 3.2 16.4 0.4
OD2 A:ASP83 3.7 22.0 0.4
CB A:CYS82 3.7 10.9 0.2
C A:LEU79 3.7 10.5 1.0
SG A:CYS82 3.8 13.9 0.2
N A:ASP83 3.8 11.0 1.0
O A:HOH1305 3.8 38.3 1.0
CA A:LEU79 3.9 10.5 1.0
CB A:CYS82 4.0 11.1 0.8
CB A:ASP83 4.0 13.8 0.3
CB A:LEU79 4.0 11.6 1.0
CB A:ASP83 4.1 12.9 0.3
CD2 A:LEU79 4.1 17.0 1.0
CB A:ASP83 4.2 14.2 0.4
CA A:ASP83 4.3 11.6 0.3
CA A:ASP83 4.3 11.5 0.3
CA A:ASP83 4.3 11.3 0.4
C A:CYS82 4.5 10.6 1.0
O A:LEU87 4.5 11.9 0.5
O A:HOH1552 4.6 77.5 1.0
CG A:LEU79 4.6 15.0 1.0
CA A:CYS82 4.7 10.6 0.2
O A:HOH1390 4.8 48.6 1.0
O A:HOH1449 4.8 88.9 1.0
CA A:CYS82 4.8 10.1 0.8
O A:LEU87 4.9 18.7 0.5
N A:GLU80 4.9 10.1 1.0
CB A:PHE89 4.9 19.0 1.0
CG A:ASP83 5.0 15.6 0.3

Potassium binding site 4 out of 6 in 4chi

Go back to Potassium Binding Sites List in 4chi
Potassium binding site 4 out of 6 in the (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K501

b:11.4
occ:1.00
 SG B:CYS82 2.2 13.4 0.8
CD1 B:ILE78 2.4 5.6 0.3
CG1 B:ILE78 2.5 9.4 0.3
O B:ILE78 2.8 12.5 1.0
CG1 B:ILE78 2.8 10.0 0.3
CL B:CL503 2.9 27.9 0.4
CG2 B:THR57 2.9 12.9 1.0
CD1 B:ILE78 3.3 7.0 0.3
CB B:CYS82 3.5 11.6 0.8
C B:ILE78 3.6 12.7 1.0
CB B:ILE78 3.7 12.2 0.3
N B:CYS82 3.7 10.9 1.0
CB B:CYS82 3.7 15.2 0.2
CB B:ILE78 3.7 9.3 0.3
CB B:ILE78 3.8 16.9 0.4
CG2 B:VAL118 3.8 13.4 1.0
CG2 B:ILE78 3.9 8.2 0.3
CA B:CYS82 3.9 12.5 0.2
CA B:CYS82 3.9 11.5 0.8
CA B:ILE78 3.9 12.8 0.3
CA B:ILE78 3.9 15.3 0.4
CA B:ILE78 4.0 12.3 0.3
CB B:VAL118 4.0 11.7 1.0
CD1 B:PHE89 4.3 18.9 1.0
CB B:THR57 4.3 11.3 1.0
CD1 B:ILE78 4.3 27.8 0.4
CB B:SER81 4.5 11.3 1.0
SG B:CYS82 4.5 19.6 0.2
CG2 B:ILE78 4.5 9.0 0.3
OG1 B:THR57 4.5 11.6 1.0
C B:SER81 4.6 11.1 1.0
N B:LEU79 4.6 12.4 1.0
CG1 B:ILE78 4.7 22.2 0.4
CG1 B:VAL118 4.7 13.2 1.0
CE1 B:PHE89 4.8 19.0 1.0
CG2 B:ILE78 4.9 16.3 0.4
C B:THR57 5.0 9.0 1.0

Potassium binding site 5 out of 6 in 4chi

Go back to Potassium Binding Sites List in 4chi
Potassium binding site 5 out of 6 in the (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K502

b:17.3
occ:0.60
 K B:K502 0.0 17.3 0.6
O B:LEU87 2.1 19.0 1.0
O B:HOH1443 2.2 32.6 0.6
K B:K502 2.2 0.3 0.4
SG B:CYS82 2.4 19.6 0.2
O B:HOH1184 2.6 28.9 1.0
O B:HOH1465 2.6 15.8 0.6
OD1 B:ASP83 2.9 25.4 0.5
CB B:CYS82 3.0 15.2 0.2
CB B:CYS82 3.2 11.6 0.8
C B:LEU87 3.3 16.5 1.0
N B:ASP83 3.4 12.3 1.0
C B:CYS82 3.4 12.1 1.0
O B:HOH1319 3.5 48.8 1.0
CA B:LYS88 3.7 18.4 1.0
O B:CYS82 3.8 13.4 1.0
CA B:ASP83 3.8 13.0 0.5
CA B:ASP83 3.8 13.8 0.5
CA B:CYS82 3.8 12.5 0.2
N B:PHE89 3.8 18.5 1.0
CG B:ASP83 3.9 19.2 0.5
CA B:CYS82 3.9 11.5 0.8
N B:LYS88 3.9 15.4 1.0
O B:LEU79 4.3 13.4 1.0
C B:LYS88 4.3 17.9 1.0
CA B:LEU87 4.4 13.2 1.0
CB B:ASP83 4.5 14.1 0.5
CB B:ASP83 4.5 15.5 0.5
N B:LEU87 4.6 12.2 1.0
SG B:CYS82 4.6 13.4 0.8
OD2 B:ASP83 4.9 24.4 0.5
CB B:LEU87 4.9 13.8 1.0
O B:HOH1466 4.9 39.6 0.4
CA B:PHE89 4.9 18.5 1.0
CB B:PHE89 5.0 19.9 1.0

Potassium binding site 6 out of 6 in 4chi

Go back to Potassium Binding Sites List in 4chi
Potassium binding site 6 out of 6 in the (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K502

b:0.3
occ:0.40
 K B:K502 0.0 0.3 0.4
O B:HOH1465 0.8 15.8 0.6
OD1 B:ASP83 1.9 25.4 0.5
K B:K502 2.2 17.3 0.6
O B:HOH1184 2.6 28.9 1.0
CG B:ASP83 2.7 19.2 0.5
O B:HOH1466 2.9 39.6 0.4
OD2 B:ASP83 3.2 24.4 0.5
O B:HOH1443 3.3 32.6 0.6
O B:LEU79 3.3 13.4 1.0
O B:HOH1319 3.7 48.8 1.0
N B:ASP83 3.8 12.3 1.0
CB B:ASP83 3.9 15.5 0.5
CB B:CYS82 3.9 15.2 0.2
CB B:ASP83 3.9 14.1 0.5
SG B:CYS82 4.0 19.6 0.2
CA B:ASP83 4.0 13.8 0.5
CA B:ASP83 4.0 13.0 0.5
C B:LEU79 4.3 13.3 1.0
CB B:CYS82 4.3 11.6 0.8
O B:LEU87 4.4 19.0 1.0
C B:CYS82 4.5 12.1 1.0
CA B:LEU79 4.6 12.5 1.0
CG B:ASP83 4.6 22.0 0.5
CB B:LEU79 4.6 13.7 1.0
CD2 B:LEU79 4.7 20.7 1.0
CA B:CYS82 4.9 12.5 0.2
O B:HOH1353 4.9 35.2 0.5
CA B:CYS82 5.0 11.5 0.8

Reference:

M.Thomsen, L.Skalden, G.J.Palm, M.Hohne, U.T.Bornscheuer, W.Hinrichs. Crystallographic Characterization of the (R)-Selective Amine Transaminase From Aspergillus Fumigatus. Acta Crystallogr.,Sect.D V. 70 1086 2014.
ISSN: ISSN 0907-4449
PubMed: 24699652
DOI: 10.1107/S1399004714001084
Page generated: Mon Aug 12 10:24:28 2024

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