Atomistry » Bromine » PDB 5cc3-5ev2 » 5cr5
Atomistry »
  Bromine »
    PDB 5cc3-5ev2 »
      5cr5 »

Bromine 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:

Chlorine (Cl) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total 2 binding sites of Bromine 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 Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 5cr5

Go back to Bromine Binding Sites List in 5cr5
Bromine 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 Bromine with other atoms in the Br 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:Br402

b:20.3
occ:0.75
 BR A:EL1402 0.0 20.3 0.8
C38 A:EL1402 1.9 18.7 0.8
C36 A:EL1402 2.9 18.9 0.8
S40 A:EL1402 3.1 18.7 0.8
CG2 A:VAL182 3.6 17.0 1.0
CG2 A:VAL320 3.7 15.5 1.0
CG2 A:VAL238 3.7 20.5 1.0
CG1 A:VAL238 3.8 17.9 1.0
N A:GLY310 3.9 13.3 1.0
O A:CYS318 3.9 15.2 1.0
CA A:GLY310 4.1 12.7 1.0
C34 A:EL1402 4.1 19.7 0.8
CB A:CYS318 4.2 19.0 1.0
C33 A:EL1402 4.3 19.2 0.8
CB A:VAL238 4.4 17.5 1.0
CD2 A:LEU184 4.5 17.5 1.0
SG A:CYS318 4.5 22.0 1.0
SD A:MET241 4.7 26.0 1.0
C A:CYS318 4.7 15.9 1.0
O A:PRO319 4.8 16.9 1.0
C A:PHE309 4.9 13.4 1.0
CB A:VAL182 5.0 17.3 1.0

Bromine binding site 2 out of 2 in 5cr5

Go back to Bromine Binding Sites List in 5cr5
Bromine 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 Bromine with other atoms in the Br 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:Br402

b:22.4
occ:0.75
 BR B:EL1402 0.0 22.4 0.8
C38 B:EL1402 1.9 19.6 0.8
C36 B:EL1402 2.9 19.2 0.8
S40 B:EL1402 3.1 19.2 0.8
CG2 B:VAL182 3.6 18.9 1.0
CG2 B:VAL238 3.6 23.3 1.0
CG2 B:VAL320 3.8 19.4 1.0
CG1 B:VAL238 3.8 20.6 1.0
N B:GLY310 3.8 15.7 1.0
O B:CYS318 3.9 18.2 1.0
CA B:GLY310 4.0 15.5 1.0
C34 B:EL1402 4.1 19.1 0.8
CB B:CYS318 4.2 19.3 1.0
C33 B:EL1402 4.3 20.4 0.8
CB B:VAL238 4.4 20.2 1.0
CD2 B:LEU184 4.5 20.5 1.0
SG B:CYS318 4.6 22.5 1.0
C B:CYS318 4.6 17.7 1.0
O B:PRO319 4.7 19.2 1.0
SD B:MET241 4.8 27.9 1.0
C B:PHE309 4.8 16.1 1.0
CB B:VAL182 5.0 20.6 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: Wed Jul 10 23:22:43 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy