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Chlorine in PDB 5i60: X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor.

Enzymatic activity of X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor.

All present enzymatic activity of X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor.:
2.6.1.42;

Protein crystallography data

The structure of X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor., PDB code: 5i60 was solved by D.O.Somers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.12
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.296, 106.629, 106.026, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor. (pdb code 5i60). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor., PDB code: 5i60:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5i60

Go back to Chlorine Binding Sites List in 5i60
Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:58.6
occ:1.00
 O A:HOH763 2.7 56.8 1.0
O A:HOH702 2.9 57.4 1.0
NE A:ARG92 3.0 27.8 1.0
CE3 A:TRP94 3.4 44.7 1.0
NH2 A:ARG92 3.6 31.4 1.0
CG A:ARG92 3.7 29.5 1.0
CZ3 A:TRP94 3.7 45.6 1.0
CB A:ARG92 3.7 32.0 1.0
CZ A:ARG92 3.8 28.7 1.0
CD A:ARG92 4.0 29.3 1.0
CD1 A:TRP361 4.1 29.2 1.0
CA A:ARG92 4.1 35.6 1.0
CG A:LEU95 4.4 40.3 1.0
O A:HOH747 4.5 55.6 1.0
CD2 A:TRP94 4.6 45.0 1.0
NE1 A:TRP361 4.6 30.6 1.0
CD1 A:LEU95 4.7 40.5 1.0
CA A:TRP361 4.8 37.1 1.0
CG A:TRP361 4.8 28.5 1.0
C A:ARG92 4.8 35.3 1.0
O A:ARG92 4.9 35.2 1.0
CD2 A:LEU95 4.9 39.2 1.0
CH2 A:TRP94 5.0 49.0 1.0

Chlorine binding site 2 out of 2 in 5i60

Go back to Chlorine Binding Sites List in 5i60
Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure at 2.12A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biarl Amide Compound and An Internal Aldimine Linked Plp Cofactor. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:57.6
occ:1.00
 O B:HOH721 2.4 52.3 1.0
O B:HOH585 2.9 37.8 1.0
NE B:ARG92 3.1 27.0 1.0
CE3 B:TRP94 3.4 41.3 1.0
NH2 B:ARG92 3.5 29.3 1.0
O B:HOH673 3.5 46.8 1.0
CZ B:ARG92 3.7 30.0 1.0
CZ3 B:TRP94 3.8 42.7 1.0
CB B:ARG92 3.8 30.3 1.0
CG B:ARG92 3.8 31.4 1.0
CD B:ARG92 4.0 28.6 1.0
CD1 B:TRP361 4.2 26.1 1.0
CA B:ARG92 4.2 28.5 1.0
CG B:LEU95 4.3 33.2 1.0
O B:HOH710 4.3 60.1 1.0
O B:HOH681 4.5 45.3 1.0
CD2 B:LEU95 4.6 40.0 1.0
CD2 B:TRP94 4.6 40.9 1.0
NE1 B:TRP361 4.7 25.6 1.0
CD1 B:LEU95 4.8 30.6 1.0
C B:ARG92 4.8 32.1 1.0
O B:ARG92 4.8 31.9 1.0
CA B:TRP361 4.9 32.0 1.0
CG B:TRP361 5.0 25.7 1.0

Reference:

J.A.Borthwick, N.Ancellin, S.M.Bertrand, R.P.Bingham, P.S.Carter, C.W.Chung, I.Churcher, N.Dodic, C.Fournier, P.L.Francis, A.Hobbs, C.Jamieson, S.D.Pickett, S.E.Smith, D.O.Somers, C.Spitzfaden, C.J.Suckling, R.J.Young. Structurally Diverse Mitochondrial Branched Chain Aminotransferase (Bcatm) Leads with Varying Binding Modes Identified By Fragment Screening. J.Med.Chem. V. 59 2452 2016.
ISSN: ISSN 0022-2623
PubMed: 26938474
DOI: 10.1021/ACS.JMEDCHEM.5B01607
Page generated: Fri Jul 26 09:11:33 2024

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