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Chlorine in PDB 9e4v: The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes

Enzymatic activity of The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes

All present enzymatic activity of The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes:
2.7.1.137;

Protein crystallography data

The structure of The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes, PDB code: 9e4v was solved by W.O.Abiodun, A.Fullmer, E.Tsubaki, T.Doukov, J.D.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.31 / 2.36
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.088, 114.088, 145.397, 90, 90, 90
R / Rfree (%) 19.9 / 23.1

Other elements in 9e4v:

The structure of The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes also contains other interesting chemical elements:

Potassium (K) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes (pdb code 9e4v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes, PDB code: 9e4v:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 9e4v

Go back to Chlorine Binding Sites List in 9e4v
Chlorine binding site 1 out of 4 in the The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl907

b:93.9
occ:1.00
 CG B:GLU311 3.5 108.9 1.0
N B:GLU311 3.7 86.5 1.0
CB B:TYR310 3.7 86.3 1.0
N B:TYR310 3.8 84.7 1.0
CD B:GLU311 3.9 127.6 1.0
OE2 B:GLU311 4.0 126.2 1.0
CB B:THR309 4.1 81.2 1.0
CA B:TYR310 4.2 83.6 1.0
CB B:GLU311 4.3 98.1 1.0
CD2 B:TYR310 4.4 87.9 1.0
C B:TYR310 4.5 84.5 1.0
CG B:TYR310 4.5 85.7 1.0
CA B:GLU311 4.6 88.2 1.0
C B:THR309 4.7 86.8 1.0
OE1 B:GLU311 4.8 132.0 1.0
CA B:THR309 4.9 86.5 1.0

Chlorine binding site 2 out of 4 in 9e4v

Go back to Chlorine Binding Sites List in 9e4v
Chlorine binding site 2 out of 4 in the The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl908

b:92.0
occ:1.00
 O B:HOH1077 4.1 74.0 1.0
CB B:ASP389 4.2 54.1 1.0
N B:GLU390 4.9 55.5 1.0

Chlorine binding site 3 out of 4 in 9e4v

Go back to Chlorine Binding Sites List in 9e4v
Chlorine binding site 3 out of 4 in the The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl909

b:99.3
occ:1.00
 OE1 B:GLU406 3.2 57.3 1.0
NH1 B:ARG378 3.4 90.5 1.0
O B:HOH1010 3.5 56.0 1.0
CD B:GLU406 3.8 59.5 1.0
OE2 B:GLU406 4.0 59.6 1.0
CB B:ASP474 4.1 57.2 1.0
N B:ASN407 4.2 65.9 1.0
CB B:ASN407 4.4 64.2 1.0
OD2 B:ASP410 4.5 83.1 1.0
CB B:ARG377 4.5 59.4 1.0
CZ B:ARG378 4.7 82.0 1.0
CD B:ARG378 4.8 68.2 1.0
CD B:ARG377 4.8 60.1 1.0
CA B:GLU406 4.8 58.5 1.0
CB B:GLU406 4.8 54.2 1.0
NE B:ARG377 4.8 59.0 1.0
CA B:ASP474 4.9 62.8 1.0
CG B:GLU406 4.9 55.6 1.0

Chlorine binding site 4 out of 4 in 9e4v

Go back to Chlorine Binding Sites List in 9e4v
Chlorine binding site 4 out of 4 in the The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Human Vacuolar Protein Sorting 34 Catalytic Domain Bound to Mes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl910

b:85.2
occ:1.00
 CB B:GLN343 3.4 91.6 1.0
N B:GLN343 3.5 87.3 1.0
CD B:PRO342 3.8 90.3 1.0
CA B:GLN343 4.1 87.7 1.0
OE1 B:GLN343 4.2 105.3 1.0
N B:PRO342 4.2 95.6 1.0
CB B:LEU341 4.2 95.5 1.0
C B:LEU341 4.5 93.6 1.0
CA B:LEU341 4.5 94.6 1.0
CG B:GLN343 4.6 93.0 1.0
C B:PRO342 4.6 90.4 1.0
N B:GLU344 4.7 90.9 1.0
CG B:PRO342 4.7 99.5 1.0
CD B:GLN343 4.8 101.1 1.0
CA B:PRO342 4.8 94.8 1.0
CB B:PRO342 4.9 87.4 1.0
CD2 B:LEU341 4.9 91.0 1.0
C B:GLN343 5.0 88.2 1.0

Reference:

W.O.Abiodun, R.Dass, A.Fullmer, J.D.Singleton, E.Tsubaki, J.Cartwright, C.Litchfield, T.Doukov, M.A.Peterson, J.D.Moody. Facile Bacterial Production of Human Vacuolar Protein Sorting 34 Enables Structural Characterization of Novel Inhibitors To Be Published.
Page generated: Wed Nov 13 07:53:21 2024

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