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Chlorine in PDB 3iwe: Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646

Enzymatic activity of Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646

All present enzymatic activity of Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646, PDB code: 3iwe was solved by W.Qiu, A.Hutchinson, A.Wernimont, Y.-H.Lin, A.Kania, M.Ravichandran, I.Kozieradzki, D.Cossar, M.Schapira, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, P.G.Wyatt, M.A.J.Ferguson, J.A.Frearson, S.Y.Brand, D.A.Robinson, A.Bochkarev, R.Hui, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.43 / 1.79
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.287, 77.654, 179.568, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 21.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646 (pdb code 3iwe). 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 Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646, PDB code: 3iwe:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3iwe

Go back to Chlorine Binding Sites List in 3iwe
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 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 Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:42.6
occ:1.00
 CLF A:6461002 0.0 42.6 1.0
CAW A:6461002 1.7 37.3 1.0
CAJ A:6461002 2.7 36.2 1.0
CBC A:6461002 2.7 36.0 1.0
OAD A:6461002 2.8 36.5 1.0
O A:HOH753 2.9 27.7 1.0
SBF A:6461002 3.2 36.3 1.0
N A:GLY472 3.6 26.1 1.0
NAT A:6461002 3.7 32.8 1.0
CA A:GLY472 3.7 25.7 1.0
CAB A:6461002 3.9 29.1 1.0
CAZ A:6461002 4.0 34.7 1.0
CAX A:6461002 4.0 34.8 1.0
O A:HOH760 4.0 41.7 1.0
CAK A:6461002 4.5 34.4 1.0
CBB A:6461002 4.5 30.9 1.0
OAE A:6461002 4.5 36.9 1.0
CAV A:6461002 4.6 29.3 1.0
O A:HOH547 4.7 35.2 1.0
C A:ASP471 4.8 26.3 1.0
C A:GLY472 4.8 25.2 1.0
N A:ASP471 4.9 25.6 1.0
CB A:ASP471 4.9 26.2 1.0
O A:HOH734 5.0 29.5 1.0

Chlorine binding site 2 out of 4 in 3iwe

Go back to Chlorine Binding Sites List in 3iwe
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 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 Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:32.6
occ:1.00
 CLG A:6461002 0.0 32.6 1.0
CAX A:6461002 1.7 34.8 1.0
CAK A:6461002 2.7 34.4 1.0
OAE A:6461002 2.7 36.9 1.0
CBC A:6461002 2.7 36.0 1.0
OH A:TYR420 2.8 17.9 1.0
SBF A:6461002 3.2 36.3 1.0
CE2 A:PHE190 3.6 13.2 1.0
CE1 A:TYR420 3.6 14.9 1.0
CZ A:PHE190 3.6 14.4 1.0
CBB A:6461002 3.6 30.9 1.0
CZ A:TYR420 3.7 15.2 1.0
CAU A:6461002 3.9 30.3 1.0
NAT A:6461002 3.9 32.8 1.0
CAV A:6461002 4.0 29.3 1.0
CAZ A:6461002 4.0 34.7 1.0
CAW A:6461002 4.0 37.3 1.0
NAR A:6461002 4.3 29.6 1.0
NBE A:6461002 4.3 29.2 1.0
CE1 A:TYR296 4.3 23.4 1.0
CAA A:6461002 4.4 30.5 1.0
ND2 A:ASN451 4.4 17.9 1.0
CAJ A:6461002 4.5 36.2 1.0
CD1 A:TYR296 4.5 22.2 1.0
OAD A:6461002 4.5 36.5 1.0
CAB A:6461002 4.6 29.1 1.0
CZ A:TYR296 4.6 23.7 1.0
O A:HOH551 4.8 14.5 1.0
CD2 A:PHE190 4.9 12.6 1.0
CD1 A:TYR420 4.9 13.9 1.0
CE1 A:PHE190 4.9 13.8 1.0

Chlorine binding site 3 out of 4 in 3iwe

Go back to Chlorine Binding Sites List in 3iwe
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646


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 Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2002

b:43.6
occ:1.00
 CLF B:6462002 0.0 43.6 1.0
CAW B:6462002 1.7 38.3 1.0
OAD B:6462002 2.7 36.3 1.0
CAJ B:6462002 2.7 37.5 1.0
CBC B:6462002 2.7 37.0 1.0
O B:ASP471 2.8 25.1 1.0
O B:HOH529 3.1 28.4 1.0
SBF B:6462002 3.2 36.5 1.0
O B:HOH1068 3.4 43.9 1.0
NAT B:6462002 3.8 34.1 1.0
C B:ASP471 3.9 24.5 1.0
CAZ B:6462002 4.0 35.8 1.0
CAX B:6462002 4.0 36.0 1.0
CAB B:6462002 4.2 30.4 1.0
O B:HOH744 4.4 27.3 1.0
OAE B:6462002 4.5 36.4 1.0
CAK B:6462002 4.5 35.6 1.0
CD2 B:TYR296 4.5 19.8 1.0
N B:ASP471 4.6 23.1 1.0
O B:HOH745 4.6 25.2 1.0
O B:GLY472 4.7 24.1 1.0
CBB B:6462002 4.7 32.2 1.0
CA B:GLY472 4.7 24.1 1.0
CA B:ASP471 4.8 24.5 1.0
N B:GLY472 4.8 24.6 1.0
CAV B:6462002 4.9 31.0 1.0
C B:GLY472 4.9 23.5 1.0
CB B:TYR296 5.0 15.0 1.0

Chlorine binding site 4 out of 4 in 3iwe

Go back to Chlorine Binding Sites List in 3iwe
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646


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 Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2002

b:34.6
occ:1.00
 CLG B:6462002 0.0 34.6 1.0
CAX B:6462002 1.7 36.0 1.0
OAE B:6462002 2.7 36.4 1.0
CAK B:6462002 2.7 35.6 1.0
CBC B:6462002 2.7 37.0 1.0
OH B:TYR420 2.9 15.1 1.0
SBF B:6462002 3.1 36.5 1.0
CBB B:6462002 3.4 32.2 1.0
CZ B:PHE190 3.5 14.4 1.0
CE1 B:TYR420 3.6 12.7 1.0
CE2 B:PHE190 3.6 14.3 1.0
NAT B:6462002 3.7 34.1 1.0
CZ B:TYR420 3.7 13.4 1.0
CAV B:6462002 3.7 31.0 1.0
CAU B:6462002 3.8 32.0 1.0
CAZ B:6462002 4.0 35.8 1.0
CAW B:6462002 4.0 38.3 1.0
NBE B:6462002 4.1 30.3 1.0
NAR B:6462002 4.1 31.4 1.0
CE1 B:TYR296 4.2 21.6 1.0
CAB B:6462002 4.3 30.4 1.0
CAA B:6462002 4.4 32.6 1.0
ND2 B:ASN451 4.4 12.6 1.0
CD1 B:TYR296 4.5 20.1 1.0
CZ B:TYR296 4.5 22.3 1.0
CAJ B:6462002 4.5 37.5 1.0
OAD B:6462002 4.5 36.3 1.0
CE1 B:PHE190 4.7 14.7 1.0
CD1 B:TYR420 4.9 11.8 1.0
OH B:TYR296 4.9 25.3 1.0
CG B:TYR296 4.9 17.4 1.0
CE2 B:TYR296 4.9 22.1 1.0
O B:HOH98 4.9 13.4 1.0
CD2 B:PHE190 5.0 12.7 1.0

Reference:

W.Qiu, A.Hutchinson, A.Wernimont, Y.-H.Lin, A.Kania, M.Ravichandran, I.Kozieradzki, D.Cossar, M.Schapira, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, P.G.Wyatt, M.A.J.Ferguson, J.A.Frearson, S.Y.Brand, D.A.Robinson, A.Bochkarev, R.Hui. Crystal Structure of Human Type-I N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor DDD85646 To Be Published.
Page generated: Sat Jul 20 22:01:26 2024

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