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Chlorine in PDB 6cy6: Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.

Enzymatic activity of Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.

All present enzymatic activity of Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.:
2.3.1.57;

Protein crystallography data

The structure of Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane., PDB code: 6cy6 was solved by E.V.Filippova, G.Minasov, O.Kiryukhina, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 93.10 / 1.75
Space group P 6 2 2
Cell size a, b, c (Å), α, β, γ (°) 107.499, 107.499, 65.021, 90.00, 90.00, 120.00
R / Rfree (%) 15.4 / 20.1

Other elements in 6cy6:

The structure of Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. (pdb code 6cy6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane., PDB code: 6cy6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6cy6

Go back to Chlorine Binding Sites List in 6cy6
Chlorine binding site 1 out of 8 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.


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 Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:30.3
occ:1.00
 O A:HOH332 3.0 24.0 1.0
O A:HOH404 3.1 51.8 1.0
N A:GLU15 3.4 25.5 1.0
CG A:GLU15 3.7 34.2 1.0
N A:ARG14 3.7 21.2 1.0
CB A:GLU15 3.8 30.4 1.0
CB A:GLU13 4.0 22.7 1.0
CB A:ARG14 4.0 25.8 1.0
CD A:GLU15 4.2 46.5 1.0
CA A:ARG14 4.2 22.0 1.0
CA A:GLU15 4.2 25.9 1.0
C A:ARG14 4.2 22.8 1.0
OE2 A:GLU15 4.4 48.2 1.0
C A:GLU13 4.5 22.1 1.0
OE1 A:GLU13 4.5 25.2 1.0
CA A:GLU13 4.7 20.7 1.0
OE1 A:GLU15 4.8 48.4 1.0
CG A:GLU13 4.9 25.0 1.0
CL A:CL208 5.0 47.1 1.0

Chlorine binding site 2 out of 8 in 6cy6

Go back to Chlorine Binding Sites List in 6cy6
Chlorine binding site 2 out of 8 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.


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 Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:33.8
occ:1.00
 O A:HOH333 3.1 33.1 1.0
NH1 A:ARG59 3.1 25.6 1.0
N A:TYR32 3.2 30.2 1.0
NH2 A:ARG59 3.4 24.3 1.0
CA A:MET30 3.5 27.9 1.0
C A:MET30 3.6 30.9 1.0
CB A:TYR32 3.6 31.6 1.0
N A:ARG31 3.7 30.0 1.0
CD2 A:TYR32 3.7 29.1 1.0
O A:VAL29 3.7 30.1 1.0
CA A:TYR32 3.7 32.8 1.0
CZ A:ARG59 3.8 26.7 1.0
N A:TRP33 3.9 29.6 1.0
CG A:TYR32 4.0 30.6 1.0
C A:TYR32 4.1 33.8 1.0
O A:MET30 4.2 32.6 1.0
N A:MET30 4.2 30.0 1.0
C A:VAL29 4.3 31.7 1.0
C A:ARG31 4.3 37.5 1.0
CG1 A:VAL75 4.5 21.4 1.0
CD1 A:TRP33 4.5 29.6 1.0
C3 A:TRS210 4.5 44.5 1.0
CA A:ARG31 4.6 32.7 1.0
CB A:MET30 4.6 31.4 1.0
CG A:TRP33 4.7 25.9 1.0
CE2 A:TYR32 4.7 27.8 1.0
N A:TRS210 4.7 48.5 1.0
NE2 A:GLN87 4.8 47.7 1.0
OE2 A:GLU73 4.8 35.0 1.0
CB A:VAL75 4.8 19.8 1.0
CB A:TRP33 4.9 28.0 1.0
CG2 A:VAL75 4.9 20.6 1.0
NE1 A:TRP33 4.9 30.8 1.0
CA A:TRP33 4.9 29.2 1.0
O A:TYR32 5.0 38.6 1.0
CG A:MET30 5.0 33.4 1.0

Chlorine binding site 3 out of 8 in 6cy6

Go back to Chlorine Binding Sites List in 6cy6
Chlorine binding site 3 out of 8 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.


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 Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:38.9
occ:1.00
 N A:ASP125 3.2 22.7 1.0
ND2 A:ASN128 3.5 32.4 1.0
O A:HOH346 3.6 41.7 0.5
CB A:ASP125 3.6 27.2 1.0
CG2 A:VAL124 3.8 28.5 1.0
C1 A:MPD216 3.8 56.9 1.0
O A:HOH346 3.9 34.8 0.5
CA A:ASP125 4.0 26.0 1.0
CB A:ASN128 4.1 29.7 1.0
CA A:VAL124 4.1 23.0 1.0
C A:VAL124 4.1 22.6 1.0
CG A:ASN128 4.3 32.2 1.0
CB A:VAL124 4.5 24.8 1.0
O4 A:MPD216 4.6 71.4 1.0
C3 A:MPD216 4.6 62.2 1.0
C2 A:MPD216 4.8 59.3 1.0
O A:ASP125 4.8 25.1 1.0
C A:ASP125 5.0 24.7 1.0

Chlorine binding site 4 out of 8 in 6cy6

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Chlorine binding site 4 out of 8 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.


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 Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:33.5
occ:1.00
 O4 A:MPD212 2.8 54.5 1.0
NH2 A:ARG31 3.2 47.1 1.0
CE1 A:PHE150 3.8 27.6 1.0
CD A:ARG31 3.8 41.3 1.0
C4 A:MPD212 3.9 52.9 1.0
CB A:ARG31 4.1 35.6 1.0
C5 A:MPD212 4.1 42.7 1.0
CZ A:ARG31 4.2 47.6 1.0
C1 A:MPD214 4.2 50.8 1.0
CE1 A:TYR32 4.4 38.0 1.0
NE A:ARG31 4.4 42.4 1.0
CZ A:PHE150 4.4 25.1 1.0
CG A:ARG31 4.4 40.6 1.0
CD1 A:PHE150 4.7 26.6 1.0
O A:ARG31 5.0 35.7 1.0
CD1 A:TYR32 5.0 38.5 1.0

Chlorine binding site 5 out of 8 in 6cy6

Go back to Chlorine Binding Sites List in 6cy6
Chlorine binding site 5 out of 8 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.


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 Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:40.2
occ:1.00
 OG A:SER45 3.1 27.3 1.0
NH2 A:ARG14 3.4 32.7 1.0
NH1 A:ARG14 3.5 35.3 1.0
CB A:SER45 3.8 26.1 1.0
CE2 A:PHE41 3.9 30.8 1.0
CZ A:ARG14 4.0 33.8 1.0
O A:HOH366 4.1 53.5 1.0
CG1 A:VAL42 4.4 27.4 1.0
CD2 A:PHE41 4.6 28.4 1.0
CZ A:PHE41 4.9 28.5 1.0

Chlorine binding site 6 out of 8 in 6cy6

Go back to Chlorine Binding Sites List in 6cy6
Chlorine binding site 6 out of 8 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:38.0
occ:1.00
 N A:VAL142 3.1 25.2 1.0
NE A:ARG136 3.6 40.6 1.0
CA A:SER141 3.7 27.8 1.0
CG2 A:VAL142 3.8 30.3 1.0
CZ A:ARG136 3.9 52.2 1.0
CB A:VAL142 3.9 26.7 1.0
C A:SER141 3.9 25.2 1.0
NH2 A:ARG136 4.0 50.5 1.0
CA A:VAL142 4.1 25.1 1.0
CD A:ARG136 4.1 35.5 1.0
CB A:SER141 4.2 33.4 1.0
CG A:ARG136 4.4 30.8 1.0
OG A:SER141 4.5 33.8 1.0
NH1 A:ARG136 4.6 50.0 1.0
O A:PHE140 4.6 27.7 1.0
N A:SER141 4.9 24.5 1.0
O A:VAL142 5.0 27.4 1.0

Chlorine binding site 7 out of 8 in 6cy6

Go back to Chlorine Binding Sites List in 6cy6
Chlorine binding site 7 out of 8 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:45.7
occ:1.00
 N A:TYR156 3.1 24.1 1.0
O A:HOH345 3.2 52.7 1.0
CA A:GLN155 3.7 27.2 1.0
CB A:GLN155 3.8 33.2 1.0
C A:GLN155 3.9 25.9 1.0
CD2 A:TYR156 3.9 26.3 1.0
CB A:TYR156 4.1 23.4 1.0
CA A:TYR156 4.1 22.3 1.0
CG A:TYR156 4.5 23.5 1.0
O A:TYR156 4.5 26.2 1.0
C A:TYR156 4.8 25.6 1.0
CE1 A:HIS148 4.8 35.5 1.0
CE2 A:TYR156 5.0 27.2 1.0
O A:GLY154 5.0 26.6 1.0

Chlorine binding site 8 out of 8 in 6cy6

Go back to Chlorine Binding Sites List in 6cy6
Chlorine binding site 8 out of 8 in the Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Spermidine/Spermine N-Acetyltransferase Speg From Escherichia Coli in Complex with Tris(Hydroxymethyl)Aminomethane. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:47.1
occ:1.00
 O A:HOH404 3.0 51.8 1.0
O A:HOH315 3.3 47.9 1.0
NH1 A:ARG14 3.4 35.3 1.0
CG A:ARG14 3.6 28.0 1.0
CD A:ARG14 3.7 29.9 1.0
CB A:ARG14 3.9 25.8 1.0
C A:ARG14 3.9 22.8 1.0
O A:ARG14 4.0 25.9 1.0
N A:GLU15 4.0 25.5 1.0
CA A:GLU15 4.2 25.9 1.0
CZ A:ARG14 4.4 33.8 1.0
NE A:ARG14 4.5 31.3 1.0
CA A:ARG14 4.5 22.0 1.0
CB A:GLU15 4.6 30.4 1.0
CL A:CL201 5.0 30.3 1.0

Reference:

E.V.Filippova, S.Weigand, O.Kiryukhina, A.J.Wolfe, W.F.Anderson. Analysis of Crystalline and Solution States of Ligand-Free Spermidine N-Acetyltransferase (Speg) From Escherichia Coli. Acta Crystallogr D Struct V. 75 545 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31205017
DOI: 10.1107/S2059798319006545
Page generated: Sat Jul 27 21:13:17 2024

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