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Chlorine in PDB 4nf1: Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag

Enzymatic activity of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag

All present enzymatic activity of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag:
2.7.2.8;

Protein crystallography data

The structure of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag, PDB code: 4nf1 was solved by G.Zhao, Z.Jin, N.M.Allewell, M.Tuchman, D.Shi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.07 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.871, 123.350, 76.659, 90.00, 107.62, 90.00
R / Rfree (%) 17.9 / 19.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag (pdb code 4nf1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag, PDB code: 4nf1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4nf1

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Chlorine binding site 1 out of 8 in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:13.8
occ:1.00
 N A:GLY368 3.1 10.3 1.0
O A:HOH622 3.1 18.1 1.0
N A:ARG369 3.4 10.3 1.0
CA A:GLY368 3.5 10.5 1.0
C A:GLY366 3.5 15.8 1.0
CA A:GLY366 3.6 14.1 1.0
N A:LEU367 3.7 12.7 1.0
CA A:GLN363 3.8 13.4 1.0
CG A:ARG369 3.9 20.6 1.0
C A:GLY368 3.9 10.4 1.0
O A:GLY366 4.0 14.9 1.0
CG A:GLN363 4.1 15.4 1.0
C A:LEU367 4.1 13.9 1.0
O A:ALA362 4.2 14.7 1.0
CG1 A:VAL358 4.2 14.5 1.0
O A:GLN363 4.3 14.6 1.0
CB A:GLN363 4.3 13.7 1.0
N A:GLY366 4.4 15.2 1.0
CD A:ARG369 4.4 31.0 1.0
CB A:ARG369 4.4 15.0 1.0
NE A:ARG369 4.5 38.3 1.0
CA A:LEU367 4.5 12.5 1.0
CA A:ARG369 4.5 11.4 1.0
C A:GLN363 4.6 13.1 1.0
N A:GLN363 4.6 12.3 1.0
C A:ALA362 4.7 12.7 1.0
O A:HOH718 4.9 30.5 1.0

Chlorine binding site 2 out of 8 in 4nf1

Go back to Chlorine Binding Sites List in 4nf1
Chlorine binding site 2 out of 8 in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:15.1
occ:1.00
 O C:HOH621 3.1 18.0 1.0
O C:HOH849 3.1 38.4 1.0
N C:GLY368 3.1 10.0 1.0
N C:ARG369 3.4 10.9 1.0
O C:HOH843 3.4 36.0 1.0
CA C:GLY368 3.5 10.3 1.0
C C:GLY366 3.6 14.2 1.0
CA C:GLY366 3.7 12.2 1.0
N C:LEU367 3.7 13.3 1.0
CA C:GLN363 3.8 14.7 1.0
C C:GLY368 3.9 11.6 1.0
CG C:ARG369 3.9 21.7 1.0
O C:GLY366 4.1 13.3 1.0
C C:LEU367 4.1 12.7 1.0
O C:ALA362 4.2 13.4 1.0
CG C:GLN363 4.2 23.4 1.0
CG1 C:VAL358 4.2 14.8 1.0
O C:GLN363 4.2 13.7 1.0
CB C:GLN363 4.3 18.7 1.0
N C:GLY366 4.4 12.7 1.0
CB C:ARG369 4.4 14.8 1.0
CD C:ARG369 4.5 35.4 1.0
CA C:ARG369 4.5 12.2 1.0
C C:GLN363 4.5 12.8 1.0
CA C:LEU367 4.5 12.2 1.0
NE C:ARG369 4.5 40.1 1.0
OE1 C:GLN363 4.6 50.2 1.0
N C:GLN363 4.6 11.5 1.0
C C:ALA362 4.7 13.3 1.0
CD C:GLN363 4.8 40.3 1.0
O C:HOH739 4.9 33.6 1.0

Chlorine binding site 3 out of 8 in 4nf1

Go back to Chlorine Binding Sites List in 4nf1
Chlorine binding site 3 out of 8 in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:21.4
occ:1.00
 OG C:SER335 3.1 14.1 1.0
O C:HOH865 3.2 35.4 1.0
N C:ASN337 3.3 15.7 1.0
CB C:ASN337 3.5 16.6 1.0
ND2 C:ASN337 3.5 27.9 1.0
CB C:SER335 3.6 14.5 1.0
CD C:ARG339 3.8 17.9 1.0
CA C:ASN337 3.8 13.2 1.0
CD2 C:LEU367 3.8 18.2 1.0
CG C:ASN337 3.9 23.4 1.0
NH1 C:ARG339 3.9 25.3 1.0
CB C:ARG339 4.1 13.0 1.0
N C:GLU336 4.1 16.6 1.0
CG C:ARG339 4.1 14.4 1.0
C C:ASN337 4.2 12.5 1.0
C C:SER335 4.3 13.6 1.0
N C:ARG339 4.4 12.2 1.0
C C:GLU336 4.4 15.6 1.0
N C:TYR338 4.5 11.2 1.0
CA C:SER335 4.6 12.4 1.0
CA C:GLU336 4.6 20.6 1.0
CD1 C:LEU367 4.7 16.6 1.0
O C:ASN337 4.7 14.8 1.0
NE C:ARG339 4.7 20.9 1.0
CZ C:ARG339 4.8 22.0 1.0
O C:SER335 4.8 13.2 1.0
CA C:ARG339 4.8 12.5 1.0
CB C:GLU336 4.8 22.7 1.0
CG C:LEU367 4.9 14.8 1.0

Chlorine binding site 4 out of 8 in 4nf1

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Chlorine binding site 4 out of 8 in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:27.9
occ:1.00
 NH2 D:ARG387 2.8 37.5 1.0
O D:HOH620 3.1 24.8 1.0
NE D:ARG387 3.2 37.0 1.0
NH1 D:ARG317 3.3 25.7 1.0
CZ D:ARG387 3.3 38.8 1.0
O D:HOH665 3.7 29.0 1.0
CB D:PRO434 3.7 20.0 1.0
CG D:PRO434 4.1 23.5 1.0
CH2 D:TRP409 4.1 20.8 1.0
CZ D:ARG317 4.2 30.8 1.0
NH2 D:ARG317 4.3 28.7 1.0
CD D:ARG387 4.4 31.5 1.0
O D:LEU436 4.5 23.8 1.0
NH1 D:ARG387 4.6 42.9 1.0
CZ2 D:TRP409 4.6 25.0 1.0
CG D:ARG387 4.7 31.1 1.0
O D:HOH645 4.7 35.1 1.0
OE2 D:NLG501 4.7 23.0 1.0
O D:HOH770 4.9 34.8 1.0
CA D:PRO434 4.9 19.8 1.0
CZ3 D:TRP409 4.9 21.8 1.0

Chlorine binding site 5 out of 8 in 4nf1

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Chlorine binding site 5 out of 8 in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl502

b:17.6
occ:1.00
 O E:HOH773 2.9 34.9 1.0
N E:GLY368 3.1 12.5 1.0
O E:HOH662 3.2 19.4 1.0
N E:ARG369 3.4 13.1 1.0
CA E:GLY368 3.5 12.9 1.0
C E:GLY366 3.6 17.7 1.0
CA E:GLY366 3.6 16.6 1.0
N E:LEU367 3.7 16.5 1.0
CA E:GLN363 3.9 16.8 1.0
C E:GLY368 3.9 12.8 1.0
CG E:ARG369 3.9 16.4 1.0
O E:GLY366 4.1 17.9 1.0
CG1 E:VAL358 4.2 15.4 1.0
C E:LEU367 4.2 15.2 1.0
CG E:GLN363 4.2 22.2 1.0
O E:ALA362 4.2 19.2 1.0
O E:GLN363 4.2 19.9 1.0
CB E:GLN363 4.4 21.2 1.0
CB E:ARG369 4.4 16.2 1.0
N E:GLY366 4.4 17.0 1.0
CA E:ARG369 4.4 14.3 1.0
CA E:LEU367 4.5 15.9 1.0
CD E:ARG369 4.5 20.6 1.0
C E:GLN363 4.5 16.6 1.0
NE E:ARG369 4.6 17.6 1.0
N E:GLN363 4.7 16.1 1.0
C E:ALA362 4.8 19.1 1.0

Chlorine binding site 6 out of 8 in 4nf1

Go back to Chlorine Binding Sites List in 4nf1
Chlorine binding site 6 out of 8 in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl503

b:27.3
occ:1.00
 OG E:SER335 3.1 21.0 1.0
O E:HOH690 3.3 37.5 1.0
N E:ASN337 3.3 20.8 1.0
CB E:ASN337 3.5 24.1 1.0
ND2 E:ASN337 3.5 39.2 1.0
CB E:SER335 3.6 18.7 1.0
CA E:ASN337 3.8 19.7 1.0
CD2 E:LEU367 3.8 25.3 1.0
CD E:ARG339 3.9 27.2 1.0
N E:GLU336 4.0 22.9 1.0
CG E:ASN337 4.0 31.0 1.0
CG E:ARG339 4.1 18.9 1.0
CB E:ARG339 4.1 18.2 1.0
C E:ASN337 4.2 23.2 1.0
NH1 E:ARG339 4.2 31.3 1.0
C E:SER335 4.3 20.1 1.0
C E:GLU336 4.4 23.1 1.0
N E:ARG339 4.5 16.2 1.0
N E:TYR338 4.5 17.4 1.0
CA E:SER335 4.6 19.9 1.0
CA E:GLU336 4.6 25.7 1.0
CD1 E:LEU367 4.7 22.7 1.0
CB E:GLU336 4.7 34.1 1.0
O E:ASN337 4.7 20.6 1.0
O E:HOH702 4.7 41.4 1.0
O E:SER335 4.8 20.7 1.0
CG E:LEU367 4.9 20.4 1.0
CA E:ARG339 4.9 16.5 1.0
NE E:ARG339 4.9 28.4 1.0

Chlorine binding site 7 out of 8 in 4nf1

Go back to Chlorine Binding Sites List in 4nf1
Chlorine binding site 7 out of 8 in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl503

b:16.9
occ:1.00
 O1 G:GOL502 2.8 42.0 1.0
O G:HOH653 3.0 21.9 1.0
N G:GLY368 3.1 11.0 1.0
N G:ARG369 3.3 13.1 1.0
CA G:GLY368 3.5 11.5 1.0
C G:GLY366 3.6 16.1 1.0
C1 G:GOL502 3.6 48.5 1.0
CA G:GLY366 3.6 14.3 1.0
N G:LEU367 3.7 14.0 1.0
C G:GLY368 3.9 12.2 1.0
CA G:GLN363 3.9 16.1 1.0
CG G:ARG369 4.0 15.0 1.0
O G:GLY366 4.1 17.2 1.0
C G:LEU367 4.1 12.3 1.0
O G:ALA362 4.2 17.2 1.0
CG G:GLN363 4.3 25.6 1.0
O G:GLN363 4.3 19.6 1.0
CG1 G:VAL358 4.3 16.0 1.0
CB G:ARG369 4.4 16.9 1.0
CA G:ARG369 4.4 13.5 1.0
N G:GLY366 4.4 15.2 1.0
CA G:LEU367 4.5 14.7 1.0
CB G:GLN363 4.5 18.7 1.0
CD G:ARG369 4.5 19.6 1.0
C G:GLN363 4.6 16.3 1.0
NE G:ARG369 4.6 24.6 1.0
N G:GLN363 4.7 14.6 1.0
C2 G:GOL502 4.7 47.9 1.0
C G:ALA362 4.8 16.2 1.0
O2 G:GOL502 4.8 47.8 1.0

Chlorine binding site 8 out of 8 in 4nf1

Go back to Chlorine Binding Sites List in 4nf1
Chlorine binding site 8 out of 8 in the Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K Without His-Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl504

b:19.3
occ:1.00
 O G:HOH728 3.0 29.4 1.0
OG G:SER335 3.1 14.9 1.0
N G:ASN337 3.3 18.0 1.0
CB G:ASN337 3.5 20.8 1.0
NH1 G:ARG339 3.6 21.9 1.0
CB G:SER335 3.6 13.2 1.0
CD G:ARG339 3.7 20.5 1.0
CA G:ASN337 3.8 20.2 1.0
N G:GLU336 3.9 16.3 1.0
ND2 G:ASN337 4.0 36.0 1.0
CD2 G:LEU367 4.0 16.5 1.0
CG G:ARG339 4.1 16.3 1.0
CG G:ASN337 4.1 28.1 1.0
CB G:ARG339 4.2 13.5 1.0
C G:SER335 4.2 13.4 1.0
C G:ASN337 4.2 16.2 1.0
C G:GLU336 4.3 17.8 1.0
N G:TYR338 4.5 15.5 1.0
CA G:SER335 4.5 14.5 1.0
CA G:GLU336 4.5 19.5 1.0
N G:ARG339 4.5 13.4 1.0
CZ G:ARG339 4.5 22.6 1.0
NE G:ARG339 4.6 21.3 1.0
CB G:GLU336 4.7 27.2 1.0
O G:SER335 4.8 15.3 1.0
O G:ASN337 4.8 17.0 1.0
CD1 G:LEU367 5.0 18.3 1.0
O G:HOH760 5.0 51.7 1.0
CA G:ARG339 5.0 14.1 1.0

Reference:

G.Zhao, Z.Jin, N.M.Allewell, M.Tuchman, D.Shi. Structure of N-Acetyltransferase Domain of X. Fastidiosa Nags/K with and Without His-Tag To Be Published.
Page generated: Sun Jul 21 20:39:51 2024

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