Atomistry » Chlorine » PDB 5cnm-5cu4 » 5cr5
Atomistry »
  Chlorine »
    PDB 5cnm-5cu4 »
      5cr5 »

Chlorine in PDB 5cr5: X-Ray Crystal Structure at 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether Compound and An Internal Aldimine Linked Plp Cofactor.

Enzymatic activity of X-Ray Crystal Structure at 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether Compound and An Internal Aldimine Linked Plp Cofactor.

All present enzymatic activity of X-Ray Crystal Structure at 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether Compound and An Internal Aldimine Linked Plp Cofactor.:
2.6.1.42;

Protein crystallography data

The structure of X-Ray Crystal Structure at 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether Compound and An Internal Aldimine Linked Plp Cofactor., PDB code: 5cr5 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 / 1.61
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.550, 105.590, 107.050, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 19.9

Other elements in 5cr5:

The structure of X-Ray Crystal Structure at 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether Compound and An Internal Aldimine Linked Plp Cofactor. also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure at 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether Compound and An Internal Aldimine Linked Plp Cofactor. (pdb code 5cr5). 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 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether Compound and An Internal Aldimine Linked Plp Cofactor., PDB code: 5cr5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5cr5

Go back to Chlorine Binding Sites List in 5cr5
Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure at 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether 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 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether Compound and An Internal Aldimine Linked Plp Cofactor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:29.7
occ:1.00
 O A:HOH654 2.8 54.0 1.0
NZ A:LYS79 3.1 23.0 1.0
O A:HOH599 3.1 37.0 1.0
O A:HOH600 3.4 26.3 1.0
O A:HOH641 3.6 26.5 1.0
NE2 A:GLN316 3.6 28.8 1.0
O A:ALA314 3.9 23.3 1.0
CG A:GLN316 3.9 26.0 1.0
O A:THR313 4.1 18.7 1.0
CE A:LYS79 4.2 20.9 1.0
CD A:LYS79 4.2 19.7 1.0
CD A:GLN316 4.3 26.8 1.0
O A:GLY137 4.4 27.2 1.0
C A:CYS315 4.4 25.1 1.0
C A:ALA314 4.5 23.9 1.0
CA A:CYS315 4.5 25.8 1.0
CE2 A:PHE81 4.6 19.1 1.0
O A:CYS315 4.6 22.5 1.0
N A:GLN316 4.7 21.1 1.0
N A:CYS315 4.8 22.9 1.0
O A:HOH619 4.9 30.1 1.0
CZ A:PHE81 5.0 17.6 1.0
OG A:SER139 5.0 20.8 1.0

Chlorine binding site 2 out of 2 in 5cr5

Go back to Chlorine Binding Sites List in 5cr5
Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure at 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether 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 1.61A Resolution of Human Mitochondrial Branched Chain Aminotransferase (Bcatm) Complexed with A Biphenyl Pyrrolidine Ether Compound and An Internal Aldimine Linked Plp Cofactor. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:21.3
occ:1.00
 NZ B:LYS79 3.2 22.5 1.0
O B:HOH619 3.2 33.2 1.0
O B:HOH610 3.3 25.6 1.0
NE2 B:GLN316 3.5 24.8 1.0
O B:HOH580 3.7 28.3 1.0
O B:HOH828 4.0 42.9 1.0
O B:ALA314 4.0 22.1 1.0
CG B:GLN316 4.0 23.3 1.0
CA B:CYS315 4.2 24.8 1.0
O B:THR313 4.2 19.3 1.0
CD B:LYS79 4.2 19.8 1.0
CE B:LYS79 4.2 21.9 1.0
CD B:GLN316 4.3 22.8 1.0
O B:GLY137 4.3 23.6 1.0
C B:CYS315 4.4 24.7 1.0
CE2 B:PHE81 4.5 18.1 1.0
C B:ALA314 4.6 21.9 1.0
N B:GLN316 4.7 21.2 1.0
N B:CYS315 4.7 23.2 1.0
O B:CYS315 4.7 23.7 1.0
O B:HOH527 4.8 23.5 1.0
CZ B:PHE81 5.0 16.6 1.0

Reference:

H.Deng, J.Zhou, F.S.Sundersingh, J.Summerfield, D.Somers, J.A.Messer, A.L.Satz, N.Ancellin, C.C.Arico-Muendel, K.L.Sargent Bedard, A.Beljean, S.L.Belyanskaya, R.Bingham, S.E.Smith, E.Boursier, P.Carter, P.A.Centrella, M.A.Clark, C.W.Chung, C.P.Davie, J.L.Delorey, Y.Ding, G.J.Franklin, L.C.Grady, K.Herry, C.Hobbs, C.S.Kollmann, B.A.Morgan, L.J.Pothier Kaushansky, Q.Zhou. Discovery, Sar, and X-Ray Binding Mode Study of Bcatm Inhibitors From A Novel Dna-Encoded Library. Acs Med.Chem.Lett. V. 6 919 2015.
ISSN: ISSN 1948-5875
PubMed: 26288694
DOI: 10.1021/ACSMEDCHEMLETT.5B00179
Page generated: Sat Jul 12 00:53:51 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy