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Chlorine 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:

Potassium (K) 6 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the (R)-Selective Amine Transaminase From Aspergillus Fumigatus at 1.27 A Resolution, PDB code: 4chi:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4chi

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl503

b:17.8
occ:0.30
 CD1 A:ILE78 1.2 5.1 0.3
CD1 A:ILE78 1.6 7.3 0.3
CG1 A:ILE78 2.2 5.6 0.3
CG1 A:ILE78 2.2 8.6 0.3
K A:K501 3.1 11.2 0.8
O A:VAL116 3.3 10.2 1.0
CB A:ILE78 3.4 9.8 0.3
CA A:TYR58 3.4 8.8 1.0
CB A:ILE78 3.5 8.1 0.3
C A:TYR58 3.6 9.1 1.0
CG2 A:VAL118 3.7 13.2 1.0
O A:THR57 3.7 9.3 1.0
CB A:ILE78 3.8 21.5 0.3
N A:ASP59 3.8 9.2 1.0
N A:TYR58 3.8 9.1 1.0
C A:VAL116 3.8 9.2 1.0
OG1 A:THR57 3.9 10.4 0.2
CG1 A:VAL116 3.9 11.8 1.0
CG2 A:ILE78 3.9 18.0 0.3
CG2 A:ILE78 3.9 6.7 0.3
C A:THR57 4.0 8.6 1.0
CG2 A:ILE78 4.0 9.1 0.3
N A:VAL118 4.0 9.2 1.0
O A:TYR58 4.2 9.2 1.0
CB A:VAL116 4.3 10.5 1.0
CB A:VAL118 4.3 10.5 1.0
CG2 A:THR57 4.3 12.0 0.8
CA A:ILE117 4.3 9.3 1.0
N A:ILE117 4.3 9.4 1.0
C A:ILE117 4.4 9.2 1.0
CA A:ILE78 4.6 16.0 0.3
CB A:ASP59 4.6 9.1 1.0
CA A:ILE78 4.6 9.9 0.3
CA A:ILE78 4.7 10.8 0.3
CB A:TYR58 4.7 9.7 1.0
CG1 A:ILE78 4.7 25.2 0.3
CA A:VAL116 4.7 9.2 1.0
CA A:VAL118 4.8 9.4 1.0
CD1 A:ILE78 4.8 28.8 0.3
CA A:ASP59 4.8 8.5 1.0
CE1 A:PHE89 4.8 20.1 1.0
CB A:THR57 4.9 10.6 0.2
OG1 A:THR57 4.9 7.9 0.8
O A:ILE78 5.0 12.1 0.3
CB A:THR57 5.0 9.2 0.8
CL A:CL504 5.0 33.1 0.2

Chlorine binding site 2 out of 4 in 4chi

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl504

b:33.1
occ:0.20
 CG2 A:ILE78 2.2 18.0 0.3
CD2 A:LEU75 3.0 22.4 1.0
CG2 A:ILE78 3.0 9.1 0.3
CB A:ILE78 3.5 21.5 0.3
O A:HIS74 3.5 11.3 1.0
CG2 A:ILE78 3.5 6.7 0.3
CG1 A:ILE78 3.6 25.2 0.3
CB A:ASP59 3.7 9.1 1.0
CB A:ILE78 3.7 8.1 0.3
CB A:ILE78 3.8 9.8 0.3
CA A:LEU75 3.8 11.8 1.0
C A:HIS74 3.8 10.6 1.0
CG2 A:VAL116 3.9 12.8 1.0
CD1 A:ILE78 3.9 5.1 0.3
N A:LEU75 3.9 10.7 1.0
CD1 A:ILE61 4.0 12.8 1.0
CG A:LEU75 4.0 16.4 1.0
CB A:VAL116 4.0 10.5 1.0
CG1 A:VAL116 4.3 11.8 1.0
CG1 A:ILE78 4.4 5.6 0.3
CB A:HIS74 4.4 9.6 1.0
CG A:ASP59 4.4 9.5 1.0
CB A:LEU75 4.4 13.6 1.0
CG1 A:ILE78 4.6 8.6 0.3
CG1 A:ILE61 4.7 9.9 1.0
CA A:HIS74 4.7 10.3 1.0
CA A:ILE78 4.7 16.0 0.3
CA A:ASP59 4.8 8.5 1.0
CD1 A:ILE78 4.8 28.8 0.3
C A:LEU75 4.9 10.6 1.0
OD2 A:ASP59 4.9 10.5 1.0
N A:ILE78 4.9 11.2 0.3
CA A:ILE78 5.0 9.9 0.3
N A:ILE78 5.0 10.1 0.3
N A:ILE78 5.0 10.0 0.3
CL A:CL503 5.0 17.8 0.3
OD1 A:ASP59 5.0 9.8 1.0

Chlorine binding site 3 out of 4 in 4chi

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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
B:Cl503

b:27.9
occ:0.40
 CD1 B:ILE78 1.1 7.0 0.3
CD1 B:ILE78 1.5 5.6 0.3
CG1 B:ILE78 2.0 10.0 0.3
CG1 B:ILE78 2.0 9.4 0.3
K B:K501 2.9 11.4 1.0
CB B:ILE78 3.4 9.3 0.3
CB B:ILE78 3.4 12.2 0.3
CA B:TYR58 3.4 9.9 1.0
O B:VAL116 3.5 11.4 1.0
C B:TYR58 3.6 9.3 1.0
CB B:ILE78 3.6 16.9 0.4
CG2 B:VAL118 3.7 13.4 1.0
O B:THR57 3.7 10.7 1.0
N B:TYR58 3.8 9.8 1.0
CG2 B:ILE78 3.8 16.3 0.4
C B:THR57 3.9 9.0 1.0
CG2 B:ILE78 3.9 8.2 0.3
N B:ASP59 3.9 9.5 1.0
CG2 B:THR57 4.0 12.9 1.0
N B:VAL118 4.1 10.0 1.0
CG2 B:ILE78 4.1 9.0 0.3
CG1 B:VAL116 4.1 12.9 1.0
C B:VAL116 4.2 10.2 1.0
O B:TYR58 4.2 10.6 1.0
CB B:VAL118 4.2 11.7 1.0
CA B:ILE78 4.5 15.3 0.4
CA B:ILE78 4.5 12.8 0.3
CA B:ILE78 4.5 12.3 0.3
CA B:ILE117 4.5 10.5 1.0
C B:ILE117 4.5 9.6 1.0
CB B:VAL116 4.6 11.8 1.0
N B:ILE117 4.6 10.2 1.0
CD1 B:ILE78 4.6 27.8 0.4
CG1 B:ILE78 4.6 22.2 0.4
CB B:ASP59 4.7 10.3 1.0
CB B:THR57 4.7 11.3 1.0
OG1 B:THR57 4.7 11.6 1.0
CB B:TYR58 4.8 10.8 1.0
CA B:VAL118 4.8 10.8 1.0
O B:ILE78 4.8 12.5 1.0
CE1 B:PHE89 4.9 19.0 1.0
CA B:THR57 4.9 10.0 1.0
O B:HOH1049 4.9 13.2 1.0
SG B:CYS82 4.9 13.4 0.8
CA B:ASP59 4.9 9.6 1.0

Chlorine binding site 4 out of 4 in 4chi

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl504

b:28.9
occ:0.20
 CG2 B:ILE78 2.1 16.3 0.4
CG2 B:ILE78 2.6 9.0 0.3
CG1 B:ILE78 3.1 22.2 0.4
CD2 B:LEU75 3.1 27.6 1.0
CG2 B:ILE78 3.3 8.2 0.3
CB B:ILE78 3.3 16.9 0.4
O B:HIS74 3.4 12.6 1.0
CB B:ILE78 3.5 12.2 0.3
CB B:ILE78 3.5 9.3 0.3
CB B:ASP59 3.7 10.3 1.0
CA B:LEU75 3.7 14.0 1.0
C B:HIS74 3.9 11.9 1.0
CD1 B:ILE78 3.9 7.0 0.3
CD1 B:ILE78 3.9 27.8 0.4
N B:LEU75 4.0 12.6 1.0
CG2 B:VAL116 4.1 13.0 1.0
CB B:VAL116 4.1 11.8 1.0
CG B:LEU75 4.1 22.7 1.0
CD1 B:ILE61 4.1 14.2 1.0
CG1 B:ILE78 4.2 10.0 0.3
CG1 B:ILE78 4.3 9.4 0.3
CG1 B:VAL116 4.4 12.9 1.0
CB B:LEU75 4.5 17.3 1.0
CG B:ASP59 4.5 10.6 1.0
CB B:HIS74 4.6 11.7 1.0
CA B:ILE78 4.6 15.3 0.4
CA B:ILE78 4.7 12.8 0.3
CA B:ILE78 4.8 12.3 0.3
C B:LEU75 4.8 13.6 1.0
N B:ILE78 4.8 11.7 1.0
CA B:HIS74 4.8 11.3 1.0
CG1 B:ILE61 4.9 11.6 1.0
CA B:ASP59 4.9 9.6 1.0
O B:LEU75 4.9 14.3 1.0
OD2 B:ASP59 4.9 11.9 1.0

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: Sat Dec 12 10:29:32 2020

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