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Chlorine in PDB 2x9h: Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole

Enzymatic activity of Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole

All present enzymatic activity of Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole:
3.6.4.1;

Protein crystallography data

The structure of Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole, PDB code: 2x9h was solved by J.Selvadurai, J.Kirst, H.J.Knoelker, D.J.Manstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.77 / 2.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 89.160, 146.630, 153.680, 90.00, 90.00, 90.00
R / Rfree (%) 20.338 / 28.871

Other elements in 2x9h:

The structure of Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole also contains other interesting chemical elements:

Vanadium (V) 1 atom
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole (pdb code 2x9h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole, PDB code: 2x9h:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2x9h

Go back to Chlorine Binding Sites List in 2x9h
Chlorine binding site 1 out of 5 in the Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole


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 Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4001

b:58.1
occ:0.50
CL1 A:KI94001 0.0 58.1 0.5
C10 A:KI94001 1.8 58.7 0.5
C11 A:KI94001 2.7 58.7 0.5
O14 A:KI94001 2.8 57.8 0.5
C9 A:KI94001 2.9 59.3 0.5
CD2 A:LEU431 3.2 20.0 1.0
CL2 A:KI94001 3.4 59.1 0.5
O A:GLY427 3.9 10.8 1.0
C12 A:KI94001 4.0 59.6 0.5
C8 A:KI94001 4.1 60.3 0.5
C A:GLY427 4.2 11.3 1.0
CA A:GLY427 4.3 11.3 1.0
CD A:LYS265 4.3 20.7 1.0
C7 A:KI94001 4.5 60.4 0.5
CE A:LYS265 4.7 24.2 1.0
CG A:LEU431 4.7 18.9 1.0
O A:HOH2070 4.8 18.1 1.0
N A:ARG428 4.9 11.8 1.0

Chlorine binding site 2 out of 5 in 2x9h

Go back to Chlorine Binding Sites List in 2x9h
Chlorine binding site 2 out of 5 in the Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole


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 Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4001

b:59.1
occ:0.50
CL2 A:KI94001 0.0 59.1 0.5
C9 A:KI94001 1.8 59.3 0.5
C8 A:KI94001 2.7 60.3 0.5
C10 A:KI94001 2.8 58.7 0.5
O A:HOH2174 3.1 25.8 1.0
CL3 A:KI94001 3.3 61.0 0.5
CL1 A:KI94001 3.4 58.1 0.5
OE1 A:GLN633 3.7 30.9 1.0
CD2 A:LEU431 3.9 20.0 1.0
C7 A:KI94001 4.0 60.4 0.5
C11 A:KI94001 4.1 58.7 0.5
C12 A:KI94001 4.6 59.6 0.5
CD A:GLN633 4.7 26.9 1.0
NE2 A:GLN633 4.9 28.4 1.0

Chlorine binding site 3 out of 5 in 2x9h

Go back to Chlorine Binding Sites List in 2x9h
Chlorine binding site 3 out of 5 in the Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole


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 Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4001

b:61.0
occ:0.50
CL3 A:KI94001 0.0 61.0 0.5
C8 A:KI94001 1.8 60.3 0.5
C7 A:KI94001 2.7 60.4 0.5
C9 A:KI94001 2.8 59.3 0.5
C5 A:KI94001 3.0 60.6 0.5
C4 A:KI94001 3.1 60.6 0.5
CD A:ARG620 3.2 48.5 1.0
CL2 A:KI94001 3.3 59.1 0.5
O A:SER619 3.5 42.5 1.0
CG A:ARG620 3.6 46.8 1.0
C12 A:KI94001 4.0 59.6 0.5
C10 A:KI94001 4.1 58.7 0.5
NE A:ARG620 4.1 48.5 1.0
C6 A:KI94001 4.3 60.2 0.5
C3 A:KI94001 4.5 60.3 0.5
C11 A:KI94001 4.6 58.7 0.5
C A:SER619 4.6 42.5 1.0
NE2 A:GLN633 4.7 28.4 1.0
NH1 A:ARG620 4.7 50.4 1.0
CB A:ARG620 4.7 45.4 1.0
CZ A:ARG620 4.8 49.4 1.0
CA A:ARG620 4.8 44.7 1.0
N13 A:KI94001 4.9 59.9 0.5
O A:ILE617 4.9 39.8 1.0

Chlorine binding site 4 out of 5 in 2x9h

Go back to Chlorine Binding Sites List in 2x9h
Chlorine binding site 4 out of 5 in the Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole


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 Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4001

b:62.5
occ:0.50
CL5 A:KI94001 0.0 62.5 0.5
C2 A:KI94001 1.8 60.4 0.5
C3 A:KI94001 2.7 60.3 0.5
C1 A:KI94001 2.8 60.2 0.5
CB A:ALA424 2.8 8.8 1.0
O A:HOH2116 3.0 24.1 1.0
N13 A:KI94001 3.1 59.9 0.5
CB A:LEU592 3.5 14.0 1.0
O A:ALA420 3.6 5.8 1.0
CD2 A:LEU592 3.7 17.9 1.0
CA A:ALA424 3.8 8.8 1.0
CD1 A:LEU592 3.9 10.8 1.0
CG A:LEU592 3.9 14.4 1.0
C4 A:KI94001 4.0 60.6 0.5
C6 A:KI94001 4.0 60.2 0.5
N A:ALA424 4.2 9.2 1.0
O A:HOH2167 4.2 13.9 1.0
O A:PRO591 4.4 16.6 1.0
C12 A:KI94001 4.4 59.6 0.5
C5 A:KI94001 4.5 60.6 0.5
CA A:LEU592 4.6 14.2 1.0
C A:ALA420 4.6 5.7 1.0
O A:ASP590 4.6 18.1 1.0
OD1 A:ASP590 4.7 22.8 1.0
OD2 A:ASP590 4.7 29.2 1.0
N A:LEU592 4.8 15.2 1.0
C A:PRO591 4.8 16.1 1.0
C7 A:KI94001 4.8 60.4 0.5
CG A:ASP590 4.9 23.1 1.0
NZ A:LYS265 4.9 26.8 1.0

Chlorine binding site 5 out of 5 in 2x9h

Go back to Chlorine Binding Sites List in 2x9h
Chlorine binding site 5 out of 5 in the Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4001

b:60.6
occ:0.50
CL6 A:KI94001 0.0 60.6 0.5
C6 A:KI94001 1.8 60.2 0.5
C1 A:KI94001 2.7 60.2 0.5
C5 A:KI94001 2.8 60.6 0.5
CG A:ARG620 3.3 46.8 1.0
NE A:ARG620 3.6 48.5 1.0
CD A:ARG620 3.9 48.5 1.0
C2 A:KI94001 4.0 60.4 0.5
C4 A:KI94001 4.1 60.6 0.5
O A:HOH2168 4.3 7.1 1.0
OE2 A:GLU597 4.4 22.4 1.0
CB A:ARG620 4.5 45.4 1.0
C3 A:KI94001 4.5 60.3 0.5
NH2 A:ARG428 4.7 15.9 1.0
O A:ASP590 4.7 18.1 1.0
CZ A:ARG620 4.7 49.4 1.0
OE1 A:GLU597 4.9 23.9 1.0
CB A:LEU592 4.9 14.0 1.0
CD A:GLU597 5.0 21.4 1.0
NH2 A:ARG620 5.0 48.5 1.0

Reference:

R.Fedrov, M.Boehl, G.Tsiavaliaris, F.K.Hartmann, P.Baruch, B.Brenner, R.Martin, H.J.Knoelker, H.O.Gutzeit, D.J.Manstein. Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole To Be Published.
Page generated: Wed Oct 28 10:51:22 2020

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