Atomistry » Chlorine » PDB 2vo5-2vv7 » 2vqu
Atomistry »
  Chlorine »
    PDB 2vo5-2vv7 »
      2vqu »

Chlorine in PDB 2vqu: Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases

Enzymatic activity of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases

All present enzymatic activity of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases:
3.2.1.25;

Protein crystallography data

The structure of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases, PDB code: 2vqu was solved by L.E.Tailford, W.A.Offen, N.L.Smith, C.Dumon, C.Moreland, J.Gratien, M.P.Heck, R.V.Stick, Y.Bleriot, A.Vasella, H.J.Gilbert, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 91.29 / 1.9
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 91.100, 115.100, 99.500, 90.00, 113.40, 90.00
R / Rfree (%) 17.7 / 23.1

Other elements in 2vqu:

The structure of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases also contains other interesting chemical elements:

Bromine (Br) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases (pdb code 2vqu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases, PDB code: 2vqu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2vqu

Go back to Chlorine Binding Sites List in 2vqu
Chlorine binding site 1 out of 8 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1888

b:34.8
occ:1.00
 O A:HOH2487 2.5 21.4 1.0
N A:GLN685 3.2 23.0 1.0
CD1 A:ILE684 3.6 18.0 1.0
CE1 A:HIS627 3.6 19.0 1.0
CA A:ILE684 3.7 21.7 1.0
CE1 A:HIS774 3.8 29.2 1.0
C A:ILE684 3.9 21.9 1.0
O A:PRO683 4.0 24.9 1.0
CB A:GLN685 4.1 24.9 1.0
O A:GLN685 4.1 24.6 1.0
CA A:GLN685 4.1 24.6 1.0
O A:HOH2533 4.2 24.6 1.0
O A:HOH2406 4.3 36.5 1.0
ND1 A:HIS627 4.4 18.1 1.0
ND1 A:HIS774 4.4 27.0 1.0
CG1 A:ILE684 4.5 21.4 1.0
CB A:ILE684 4.5 20.6 1.0
N A:ILE684 4.5 22.3 1.0
C A:GLN685 4.6 25.7 1.0
C A:PRO683 4.6 23.0 1.0
O A:HOH2461 4.6 22.3 1.0
NE2 A:HIS627 4.7 19.1 1.0
O A:HOH2459 4.8 27.1 1.0
O A:HOH2488 4.8 45.6 1.0
NE2 A:HIS774 4.9 27.4 1.0
C1 A:EDO1875 5.0 40.9 1.0

Chlorine binding site 2 out of 8 in 2vqu

Go back to Chlorine Binding Sites List in 2vqu
Chlorine binding site 2 out of 8 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1892

b:23.5
occ:0.75
 N A:THR477 3.3 33.3 1.0
CG2 A:THR477 3.6 33.4 1.0
CA A:PHE476 3.7 33.2 1.0
CD1 A:PHE476 3.8 26.5 1.0
CB A:PHE476 3.9 32.9 1.0
CG2 A:VAL480 3.9 27.0 1.0
C A:PHE476 4.0 33.6 1.0
CB A:VAL480 4.0 25.9 1.0
CG1 A:VAL480 4.1 24.8 1.0
CB A:PHE172 4.2 22.5 1.0
OG1 A:THR477 4.2 33.6 1.0
CB A:THR477 4.3 33.1 1.0
CG A:PHE476 4.3 30.1 1.0
CA A:THR477 4.4 33.3 1.0
O A:LYS475 4.8 34.4 1.0
O A:HOH2365 4.8 27.6 1.0
CG A:PHE172 4.8 19.8 1.0
CE1 A:PHE476 4.9 28.6 1.0
N A:PHE476 4.9 33.6 1.0

Chlorine binding site 3 out of 8 in 2vqu

Go back to Chlorine Binding Sites List in 2vqu
Chlorine binding site 3 out of 8 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1893

b:32.2
occ:0.50
 CE B:MET298 1.7 2.0 0.5
ND2 B:ASN351 3.1 17.1 1.0
SD B:MET298 3.2 27.4 0.5
SD B:MET298 3.3 16.9 0.5
CE3 B:TRP302 3.5 19.9 1.0
CB B:ASN351 3.6 17.0 1.0
CD B:PRO299 3.7 15.2 1.0
CG B:ASN351 3.8 16.7 1.0
CB B:MET298 3.9 16.0 0.5
O B:VAL350 4.1 15.4 1.0
CG B:MET298 4.2 20.3 0.5
CZ3 B:TRP302 4.2 18.7 1.0
CA B:MET298 4.2 15.4 0.5
CA B:MET298 4.3 14.4 0.5
CB B:MET298 4.4 14.6 0.5
CB B:TRP302 4.4 19.5 1.0
CG1 B:VAL350 4.4 16.4 1.0
CG B:MET298 4.4 15.4 0.5
CD2 B:TRP302 4.4 19.4 1.0
C B:VAL350 4.6 15.4 1.0
CD1 B:ILE353 4.6 25.8 1.0
CG B:PRO299 4.6 17.5 1.0
O B:HOH2066 4.7 43.5 1.0
CE B:MET298 4.7 24.2 0.5
O B:TRP297 4.7 14.3 1.0
CA B:ASN351 4.8 16.5 1.0
CG B:TRP302 4.8 21.2 1.0
N B:ASN351 4.9 15.7 1.0
N B:PRO299 4.9 15.3 1.0

Chlorine binding site 4 out of 8 in 2vqu

Go back to Chlorine Binding Sites List in 2vqu
Chlorine binding site 4 out of 8 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1898

b:18.8
occ:0.50
 O A:HOH2264 2.2 15.3 0.5
O A:HOH2351 3.0 19.0 1.0
O A:HOH2324 3.1 32.2 1.0
ND1 A:HIS326 3.2 21.2 1.0
O A:HOH2260 3.4 23.1 1.0
NE2 A:HIS451 3.5 15.7 1.0
CE1 A:HIS451 3.5 14.3 1.0
O A:HOH2263 3.6 25.6 1.0
CB A:ASN450 3.8 14.5 1.0
CE1 A:HIS326 3.8 22.5 1.0
CD2 A:HIS451 3.9 12.2 1.0
ND1 A:HIS451 4.0 11.8 1.0
O A:HOH2352 4.0 33.5 1.0
O A:HOH2320 4.0 18.5 1.0
CG A:HIS326 4.1 20.0 1.0
CG A:HIS451 4.3 13.4 1.0
C A:ASN450 4.3 13.8 1.0
CB A:HIS326 4.4 17.1 1.0
CA A:ASN450 4.5 13.4 1.0
O A:ASN450 4.5 13.7 1.0
N A:HIS451 4.6 13.6 1.0
O A:ARG447 4.6 15.5 1.0
ND2 A:ASN450 4.7 10.3 1.0
CG A:ASN450 4.8 13.7 1.0
NE2 A:HIS326 4.9 21.5 1.0
OD1 A:ASP407 4.9 16.3 1.0
CA A:HIS326 4.9 17.4 1.0
N A:ASN450 4.9 14.4 1.0
O A:ARG327 4.9 16.2 1.0

Chlorine binding site 5 out of 8 in 2vqu

Go back to Chlorine Binding Sites List in 2vqu
Chlorine binding site 5 out of 8 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1890

b:33.2
occ:1.00
 O B:HOH2503 2.7 25.4 1.0
O2 B:EDO1883 2.9 44.6 1.0
N B:GLN685 3.1 21.4 1.0
CE1 B:HIS774 3.6 21.0 1.0
CD1 B:ILE684 3.6 14.6 1.0
CB B:GLN685 3.8 23.1 1.0
O B:GLN685 3.8 22.5 1.0
CA B:ILE684 3.9 19.4 1.0
CA B:GLN685 3.9 22.2 1.0
C B:ILE684 4.0 20.1 1.0
CE1 B:HIS627 4.0 18.1 1.0
O B:PRO683 4.1 20.1 1.0
ND1 B:HIS774 4.2 18.9 1.0
O B:HOH2609 4.3 18.2 1.0
C2 B:EDO1883 4.3 43.5 1.0
C B:GLN685 4.4 23.5 1.0
C2 B:EDO1880 4.6 37.7 1.0
CG1 B:ILE684 4.6 16.5 1.0
ND1 B:HIS627 4.7 17.2 1.0
NE2 B:HIS774 4.7 17.8 1.0
N B:ILE684 4.7 19.1 1.0
O B:HOH2475 4.8 21.5 1.0
CB B:ILE684 4.8 18.8 1.0
C B:PRO683 4.8 19.3 1.0
O B:HOH2473 4.9 23.1 1.0

Chlorine binding site 6 out of 8 in 2vqu

Go back to Chlorine Binding Sites List in 2vqu
Chlorine binding site 6 out of 8 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1891

b:30.7
occ:0.50
 O B:HOH2562 2.2 13.8 0.5
O B:HOH2561 3.0 36.5 1.0
CG B:GLU816 3.8 22.4 1.0
CD B:GLU816 3.9 23.9 1.0
N B:PRO818 3.9 26.6 1.0
C B:THR817 4.0 25.8 1.0
CG B:PRO818 4.0 27.7 1.0
OE1 B:GLU816 4.1 28.0 1.0
O B:GLU816 4.2 22.1 1.0
CD B:PRO818 4.2 26.7 1.0
CB B:PRO818 4.3 28.1 1.0
O B:THR817 4.3 25.3 1.0
CA B:PRO818 4.3 27.4 1.0
CA B:THR817 4.3 25.1 1.0
C B:GLU816 4.3 22.4 1.0
OE2 B:GLU816 4.4 20.4 1.0
O B:HOH2176 4.5 28.1 1.0
CB B:ASN855 4.5 26.8 1.0
N B:THR817 4.5 23.4 1.0
CB B:GLU816 4.6 21.4 1.0
O B:HOH2432 5.0 17.9 1.0

Chlorine binding site 7 out of 8 in 2vqu

Go back to Chlorine Binding Sites List in 2vqu
Chlorine binding site 7 out of 8 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1892

b:31.8
occ:0.70
 O B:HOH2425 2.7 23.6 1.0
O3 B:NOY1869 2.9 18.5 1.0
NE1 B:TRP200 3.1 17.6 1.0
CE2 B:TRP395 3.3 11.3 1.0
O B:HOH2485 3.3 15.0 1.0
C3 B:NOY1869 3.4 17.8 1.0
CD2 B:TRP395 3.4 11.9 1.0
CG2 B:ILE363 3.5 12.4 1.0
NE1 B:TRP395 3.5 13.9 1.0
CZ2 B:TRP395 3.7 12.5 1.0
O4 B:NOY1869 3.7 16.6 1.0
CG B:TRP395 3.8 13.4 1.0
CD1 B:TRP395 3.8 12.2 1.0
CE3 B:TRP395 3.9 9.6 1.0
CE2 B:TRP200 3.9 16.6 1.0
CH2 B:TRP395 4.1 13.5 1.0
CD1 B:TRP200 4.1 14.2 1.0
C4 B:NOY1869 4.1 17.7 1.0
CZ2 B:TRP200 4.1 16.3 1.0
CZ3 B:TRP395 4.2 10.2 1.0
NE1 B:TRP198 4.5 16.5 1.0
OE1 B:GLN646 4.6 16.1 1.0
C2 B:NOY1869 4.6 17.6 1.0
CB B:TRP395 4.7 12.1 1.0
O2 B:NOY1869 4.7 16.4 1.0
OE2 B:GLU555 4.9 16.2 1.0
CD1 B:TRP198 4.9 15.1 1.0
CB B:ILE363 5.0 14.4 1.0

Chlorine binding site 8 out of 8 in 2vqu

Go back to Chlorine Binding Sites List in 2vqu
Chlorine binding site 8 out of 8 in the Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1897

b:34.0
occ:0.75
 O B:HOH2500 3.3 22.9 1.0
NH1 B:ARG698 3.4 38.9 1.0
O B:HOH2543 3.7 30.3 1.0
CD B:ARG698 3.7 30.5 1.0
CB B:PRO678 3.8 17.3 1.0
CG2 B:VAL679 3.9 19.7 1.0
CB B:VAL679 4.3 18.2 1.0
CZ B:ARG698 4.3 37.8 1.0
CG B:ARG698 4.3 26.6 1.0
N B:VAL679 4.3 16.5 1.0
NE B:ARG698 4.4 33.0 1.0
CG B:PRO678 4.5 17.4 1.0
C B:PRO678 4.9 16.4 1.0
CA B:VAL679 5.0 17.9 1.0
CA B:PRO678 5.0 16.3 1.0

Reference:

L.E.Tailford, W.A.Offen, N.L.Smith, C.Dumon, C.Morland, J.Gratien, M.P.Heck, R.V.Stick, Y.Bleriot, A.Vasella, H.J.Gilbert, G.J.Davies. Structural and Biochemical Evidence For A Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol. V. 4 306 2008.
ISSN: ISSN 1552-4450
PubMed: 18408714
DOI: 10.1038/NCHEMBIO.81
Page generated: Sat Jul 20 12:09:37 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