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Chlorine in PDB 2wsa: Crystal Structure of Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646)

Enzymatic activity of Crystal Structure of Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646)

All present enzymatic activity of Crystal Structure of Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646):
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646), PDB code: 2wsa was solved by D.A.Robinson, S.Brand, A.H.Fairlamb, M.A.J.Ferguson, J.A.Frearson, P.G.Wyatt, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.510, 90.317, 52.972, 90.00, 112.27, 90.00
R / Rfree (%) 17.6 / 21.296

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646) (pdb code 2wsa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646), PDB code: 2wsa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2wsa

Go back to Chlorine Binding Sites List in 2wsa
Chlorine binding site 1 out of 2 in the Crystal Structure of Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646)


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 Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1423

b:16.2
occ:1.00
CLF A:6461423 0.0 16.2 1.0
CAW A:6461423 1.7 15.4 1.0
CAJ A:6461423 2.7 12.5 1.0
CBC A:6461423 2.7 15.4 1.0
OAD A:6461423 3.1 15.6 1.0
O A:HOH2519 3.3 35.0 1.0
SBF A:6461423 3.3 14.8 1.0
O A:HOH2332 3.5 16.3 1.0
NAT A:6461423 3.6 15.6 1.0
O A:HOH2555 3.6 24.8 1.0
OD1 A:ASP396 3.7 24.6 0.5
CA A:GLY397 3.8 14.9 1.0
O A:HOH2055 3.9 36.7 1.0
CAB A:6461423 3.9 14.9 1.0
CAX A:6461423 4.0 16.6 1.0
CAZ A:6461423 4.0 16.5 1.0
O A:HOH2518 4.0 39.4 1.0
N A:GLY397 4.1 15.0 1.0
CBB A:6461423 4.4 16.3 1.0
CAK A:6461423 4.5 14.5 1.0
CAV A:6461423 4.6 16.3 1.0
O A:HOH2142 4.7 33.8 1.0
OAE A:6461423 4.7 16.1 1.0
CG A:ASP396 4.9 21.1 0.5
C A:ASP396 5.0 18.1 1.0

Chlorine binding site 2 out of 2 in 2wsa

Go back to Chlorine Binding Sites List in 2wsa
Chlorine binding site 2 out of 2 in the Crystal Structure of Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646)


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 Leishmania Major N- Myristoyltransferase (Nmt) with Bound Myristoyl-Coa and A Pyrazole Sulphonamide Ligand (DDD85646) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1423

b:20.5
occ:1.00
CLG A:6461423 0.0 20.5 1.0
O A:HOH2556 1.5 22.4 1.0
CAX A:6461423 1.7 16.6 1.0
CAK A:6461423 2.6 14.5 1.0
OAE A:6461423 2.8 16.1 1.0
CBC A:6461423 2.8 15.4 1.0
OH A:TYR345 2.9 18.4 1.0
SBF A:6461423 3.4 14.8 1.0
CZ A:PHE90 3.6 22.0 1.0
CE1 A:PHE90 3.7 19.3 1.0
ND2 A:ASN376 3.7 13.6 1.0
CE1 A:TYR345 3.7 14.2 1.0
CZ A:TYR345 3.8 11.1 1.0
O A:HOH2492 3.8 56.5 1.0
CAZ A:6461423 3.9 16.5 1.0
CBB A:6461423 4.0 16.3 1.0
CAW A:6461423 4.0 15.4 1.0
CAU A:6461423 4.1 18.3 1.0
NAT A:6461423 4.2 15.6 1.0
CE1 A:TYR217 4.3 13.5 1.0
CAA A:6461423 4.4 19.9 1.0
CAV A:6461423 4.4 16.3 1.0
CAJ A:6461423 4.4 12.5 1.0
NAR A:6461423 4.6 16.7 1.0
CG A:ASN376 4.6 11.5 1.0
CZ A:TYR217 4.6 13.6 1.0
OAD A:6461423 4.7 15.6 1.0
CD1 A:TYR217 4.7 11.8 1.0
NBE A:6461423 4.7 15.8 1.0
O A:HOH2450 4.8 15.0 1.0
OH A:TYR217 4.9 14.8 1.0
CAY A:6461423 5.0 15.2 1.0
CE2 A:PHE90 5.0 21.2 1.0
CD1 A:TYR345 5.0 10.6 1.0

Reference:

J.A.Frearson, S.Brand, L.A.T.Cleghorn, S.Mcelroy, O.Smid, L.Stojanovski, L.Torrie, D.A.Robinson, I.Hallyburton, M.L.Guther, H.P.Price, C.P.Mpamhanga, J.A.Brannigan, M.Hodgkinson, O.Raimi, D.M.F.Van Aalten, R.Brenk, I.H.Gilbert, K.D.Read, A.H.Fairlamb, M.A.J.Ferguson, D.F.Smith, P.G.Wyatt. N-Myristoyltransferase Inhibitors As New Leads to Treat Sleeping Sickness. Nature V. 464 728 2010.
ISSN: ISSN 0028-0836
PubMed: 20360736
DOI: 10.1038/NATURE08893
Page generated: Sat Dec 12 09:24:15 2020

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