Atomistry » Chlorine » PDB 2a72-2aiq » 2abj
Atomistry »
  Chlorine »
    PDB 2a72-2aiq »
      2abj »

Chlorine in PDB 2abj: Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate.

Enzymatic activity of Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate.

All present enzymatic activity of Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate.:
2.6.1.42;

Protein crystallography data

The structure of Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate., PDB code: 2abj was solved by J.F.Ohren, D.W.Moreland, J.R.Rubin, H.L.Hu, P.C.Mcconnell, A.Mistry, W.T.Mueller, J.D.Scholten, C.H.Hasemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 90.91 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 110.327, 114.517, 148.869, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 25.7

Other elements in 2abj:

The structure of Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate. also contains other interesting chemical elements:

Fluorine (F) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate. (pdb code 2abj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate., PDB code: 2abj:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2abj

Go back to Chlorine Binding Sites List in 2abj
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1401

b:28.0
occ:1.00
CL1 A:CBC1401 0.0 28.0 1.0
C48 A:CBC1401 1.8 26.2 1.0
C47 A:CBC1401 2.7 25.9 1.0
C49 A:CBC1401 2.8 25.7 1.0
O A:HOH1666 3.5 47.6 1.0
CB A:GLN241 3.9 21.9 1.0
CG A:GLN242 3.9 20.1 1.0
NE2 A:GLN242 4.0 22.4 1.0
C50 A:CBC1401 4.0 25.0 1.0
CG1 A:VAL200 4.1 17.5 1.0
C52 A:CBC1401 4.1 25.4 1.0
O A:GLN241 4.2 21.4 1.0
CD A:GLN242 4.2 21.8 1.0
O A:HOH1578 4.2 26.0 1.0
C51 A:CBC1401 4.5 25.2 1.0
C A:GLN241 4.5 21.0 1.0
CG A:GLN241 4.6 22.6 1.0
CA A:GLN241 4.8 21.7 1.0

Chlorine binding site 2 out of 4 in 2abj

Go back to Chlorine Binding Sites List in 2abj
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2401

b:26.7
occ:1.00
CL1 D:CBC2401 0.0 26.7 1.0
C48 D:CBC2401 1.8 26.3 1.0
C49 D:CBC2401 2.7 26.5 1.0
C47 D:CBC2401 2.8 25.6 1.0
CG D:GLN242 3.7 20.6 1.0
O D:HOH2402 3.8 42.4 1.0
O D:GLN241 3.8 21.1 1.0
NE2 D:GLN242 3.9 23.3 1.0
CB D:GLN241 4.0 21.9 1.0
C50 D:CBC2401 4.0 25.9 1.0
O D:HOH2692 4.0 56.1 1.0
CG1 D:VAL200 4.0 21.8 1.0
CD D:GLN242 4.1 22.6 1.0
C52 D:CBC2401 4.1 25.6 1.0
O D:HOH2500 4.1 35.3 1.0
C D:GLN241 4.3 21.1 1.0
C51 D:CBC2401 4.5 25.6 1.0
O D:HOH2683 4.7 33.7 1.0
CA D:GLN241 4.7 21.6 1.0
O D:HOH2483 4.8 41.1 1.0
O D:HOH2658 4.8 46.3 1.0
CG D:GLN241 4.9 21.6 1.0
OE1 D:GLN242 4.9 23.7 1.0
CB D:GLN242 5.0 19.9 1.0

Chlorine binding site 3 out of 4 in 2abj

Go back to Chlorine Binding Sites List in 2abj
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl3401

b:26.7
occ:1.00
CL1 G:CBC3401 0.0 26.7 1.0
C48 G:CBC3401 1.8 25.4 1.0
C49 G:CBC3401 2.8 25.6 1.0
C47 G:CBC3401 2.8 25.2 1.0
O G:HOH3723 3.5 40.4 1.0
CG G:GLN242 3.6 20.5 1.0
O G:GLN241 3.7 21.2 1.0
NE2 G:GLN242 3.8 22.4 1.0
CD G:GLN242 4.0 21.9 1.0
CG1 G:VAL200 4.0 24.3 1.0
CB G:GLN241 4.0 22.4 1.0
C50 G:CBC3401 4.0 25.2 1.0
C52 G:CBC3401 4.1 25.5 1.0
C G:GLN241 4.3 21.5 1.0
C51 G:CBC3401 4.5 25.4 1.0
CA G:GLN241 4.7 22.1 1.0
O G:HOH3537 4.8 35.8 1.0
OE1 G:GLN242 4.8 22.8 1.0
CG G:GLN241 4.9 22.5 1.0
CB G:GLN242 4.9 20.2 1.0

Chlorine binding site 4 out of 4 in 2abj

Go back to Chlorine Binding Sites List in 2abj
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Branched Chain Amino Acid Transaminase in A Complex with An Inhibitor, C16H10N2O4F3SCL, and Pyridoxal 5' Phosphate. within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl4401

b:28.6
occ:1.00
CL1 J:CBC4401 0.0 28.6 1.0
C48 J:CBC4401 1.8 26.2 1.0
C49 J:CBC4401 2.8 25.8 1.0
C47 J:CBC4401 2.8 25.6 1.0
O J:HOH4573 3.6 26.3 1.0
CG J:GLN242 3.9 20.0 1.0
CB J:GLN241 4.0 20.9 1.0
NE2 J:GLN242 4.0 23.4 1.0
C50 J:CBC4401 4.0 24.5 1.0
CG1 J:VAL200 4.0 16.1 1.0
C52 J:CBC4401 4.1 24.9 1.0
CD J:GLN242 4.2 21.8 1.0
O J:GLN241 4.2 20.5 1.0
C51 J:CBC4401 4.5 24.4 1.0
C J:GLN241 4.6 20.3 1.0
CG J:GLN241 4.7 20.5 1.0
CA J:GLN241 4.8 20.8 1.0

Reference:

L.Y.Hu, P.A.Boxer, S.R.Kesten, H.J.Lei, D.J.Wustrow, D.W.Moreland, L.Zhang, K.Ahn, T.R.Ryder, X.Liu, J.R.Rubin, K.Fahnoe, R.T.Carroll, S.Dutta, D.C.Fahnoe, A.W.Probert, R.L.Roof, M.F.Rafferty, C.R.Kostlan, J.D.Scholten, M.Hood, X.D.Ren, G.P.Schielke, T.Z.Su, C.P.Taylor, A.Mistry, P.Mcconnell, C.Hasemann, J.Ohren. The Design and Synthesis of Human Branched-Chain Amino Acid Aminotransferase Inhibitors For Treatment of Neurodegenerative Diseases. Bioorg.Med.Chem.Lett. V. 16 2337 2006.
ISSN: ISSN 0960-894X
PubMed: 16143519
DOI: 10.1016/J.BMCL.2005.07.058
Page generated: Sat Dec 12 08:58:36 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy