Atomistry » Arsenic » PDB 6xna-7ji7 » 7cys
Atomistry »
  Arsenic »
    PDB 6xna-7ji7 »
      7cys »

Arsenic in PDB 7cys: Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily

Enzymatic activity of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily

All present enzymatic activity of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily:
2.3.1.64;

Protein crystallography data

The structure of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily, PDB code: 7cys was solved by M.Yamane, M.Takenoya, M.Sue, S.Yajima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.33 / 1.81
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.632, 59.521, 73.627, 90.00, 91.29, 90.00
R / Rfree (%) 19.1 / 20.3

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily (pdb code 7cys). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 8 binding sites of Arsenic where determined in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily, PDB code: 7cys:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Arsenic binding site 1 out of 8 in 7cys

Go back to Arsenic Binding Sites List in 7cys
Arsenic binding site 1 out of 8 in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As18

b:43.5
occ:1.00
 AS A:CAS18 0.0 43.5 1.0
CE2 A:CAS18 2.0 40.4 1.0
CE1 A:CAS18 2.0 37.5 1.0
SG A:CAS18 2.2 41.2 1.0
CB A:CAS18 2.9 40.4 1.0
CA A:CAS18 3.8 39.2 1.0
N A:CAS18 3.9 41.1 1.0
CB A:ALA17 4.2 41.7 1.0
C A:ALA17 4.2 43.2 1.0
CD A:ARG65 4.4 20.6 1.0
CG A:ARG65 4.6 19.1 1.0
O A:ALA17 4.6 46.8 1.0
CD1 A:LEU20 4.8 29.8 1.0
CA A:ALA17 4.8 39.9 1.0
CB A:ARG65 4.9 17.4 1.0
O A:GLU14 5.0 19.6 1.0
O A:HOH655 5.0 31.4 1.0

Arsenic binding site 2 out of 8 in 7cys

Go back to Arsenic Binding Sites List in 7cys
Arsenic binding site 2 out of 8 in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As24

b:18.4
occ:1.00
 AS A:CAS24 0.0 18.4 1.0
CE2 A:CAS24 2.0 18.2 1.0
CE1 A:CAS24 2.0 18.3 1.0
SG A:CAS24 2.2 17.0 1.0
CB A:CAS24 3.1 17.1 1.0
CA A:CAS24 3.7 16.9 1.0
C A:CAS24 4.5 16.5 1.0
N A:THR25 4.8 16.9 1.0
N A:CAS24 4.9 17.3 1.0
CB A:ALA26 5.0 18.3 1.0

Arsenic binding site 3 out of 8 in 7cys

Go back to Arsenic Binding Sites List in 7cys
Arsenic binding site 3 out of 8 in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As141

b:36.1
occ:1.00
 AS A:CAS141 0.0 36.1 1.0
CE1 A:CAS141 2.0 32.9 1.0
CE2 A:CAS141 2.0 33.2 1.0
SG A:CAS141 2.2 29.8 1.0
CB A:CAS141 3.2 28.6 1.0
CA A:CAS141 3.6 26.7 1.0
O A:ALA140 4.2 26.6 1.0
N A:CAS141 4.2 25.1 1.0
C A:ALA140 4.4 25.7 1.0
C A:CAS141 4.9 25.8 1.0

Arsenic binding site 4 out of 8 in 7cys

Go back to Arsenic Binding Sites List in 7cys
Arsenic binding site 4 out of 8 in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As208

b:50.0
occ:1.00
 AS A:CAS208 0.0 50.0 1.0
CE1 A:CAS208 2.0 44.5 1.0
CE2 A:CAS208 2.0 45.6 1.0
SG A:CAS208 2.2 43.6 1.0
CB A:CAS208 3.0 41.2 1.0
C A:CAS208 3.7 41.2 1.0
CA A:CAS208 4.0 38.9 1.0
O A:CAS208 4.0 39.2 1.0
N A:GLU209 4.1 43.8 1.0
CB A:LYS210 4.2 59.7 1.0
C A:GLU209 4.2 50.1 1.0
N A:LYS210 4.3 53.3 1.0
O A:GLU209 4.4 51.1 1.0
CA A:GLU209 4.6 48.3 1.0
CA A:LYS210 4.7 57.1 1.0

Arsenic binding site 5 out of 8 in 7cys

Go back to Arsenic Binding Sites List in 7cys
Arsenic binding site 5 out of 8 in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As216

b:28.9
occ:1.00
 AS A:CAS216 0.0 28.9 1.0
CE1 A:CAS216 2.0 29.4 1.0
CE2 A:CAS216 2.0 30.3 1.0
SG A:CAS216 2.2 33.2 1.0
CB A:CAS216 3.1 34.0 1.0
N A:CAS216 3.6 38.0 1.0
CA A:CAS216 3.8 35.5 1.0
C A:VAL215 4.2 44.9 1.0
O A:VAL215 4.7 48.0 1.0
CA A:VAL215 4.8 47.4 1.0

Arsenic binding site 6 out of 8 in 7cys

Go back to Arsenic Binding Sites List in 7cys
Arsenic binding site 6 out of 8 in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As252

b:31.6
occ:1.00
 AS A:CAS252 0.0 31.6 1.0
CE1 A:CAS252 2.0 32.0 1.0
CE2 A:CAS252 2.0 30.3 1.0
SG A:CAS252 2.2 28.2 1.0
CB A:CAS252 3.1 27.2 1.0
O A:HOH580 3.5 26.1 1.0
CA A:CAS252 3.5 26.3 1.0
CG1 A:VAL324 4.0 24.5 1.0
OG A:SER328 4.0 25.2 1.0
CB A:SER328 4.0 23.1 1.0
N A:CAS252 4.1 27.2 1.0
OE1 A:GLN256 4.7 20.2 1.0
C A:CAS252 4.8 24.9 1.0
O A:VAL324 4.8 23.1 1.0
C A:PRO251 4.9 28.8 1.0

Arsenic binding site 7 out of 8 in 7cys

Go back to Arsenic Binding Sites List in 7cys
Arsenic binding site 7 out of 8 in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 7 of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As434

b:46.4
occ:1.00
 AS A:CAS434 0.0 46.4 1.0
CE1 A:CAS434 2.0 41.0 1.0
CE2 A:CAS434 2.0 44.7 1.0
SG A:CAS434 2.2 44.5 1.0
CB A:CAS434 3.2 37.9 1.0
CG A:MET268 3.6 37.3 1.0
O A:HOH703 3.7 39.2 1.0
CB A:MET268 3.9 33.3 1.0
CA A:CAS434 4.0 35.2 1.0
SD A:MET268 4.2 43.4 1.0
O A:CAS434 4.4 31.8 1.0
C A:CAS434 4.7 34.0 1.0
NH1 A:ARG264 4.8 34.4 1.0

Arsenic binding site 8 out of 8 in 7cys

Go back to Arsenic Binding Sites List in 7cys
Arsenic binding site 8 out of 8 in the Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 8 of Crystal Structure of Barley Agmatine Coumaroyltransferase (Hvact), An N-Acyltransferase in Bahd Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As435

b:35.6
occ:1.00
 AS A:CAS435 0.0 35.6 1.0
CE2 A:CAS435 1.9 35.7 1.0
CE1 A:CAS435 2.0 34.5 1.0
SG A:CAS435 2.2 33.2 1.0
CB A:CAS435 3.1 35.9 1.0
C A:CAS435 3.5 37.7 1.0
O A:CAS435 3.6 37.6 1.0
CA A:CAS435 3.8 36.1 1.0
N A:TYR436 3.9 41.3 1.0
CD1 A:TYR436 4.2 48.4 1.0
CE1 A:TYR436 4.3 48.3 1.0
CG A:TYR436 4.3 46.9 1.0
CA A:TYR436 4.4 44.1 1.0
CZ A:TYR436 4.5 49.0 1.0
CD2 A:TYR436 4.5 47.2 1.0
NE2 A:HIS261 4.5 25.3 1.0
CE2 A:TYR436 4.5 48.3 1.0
CZ A:PHE236 4.6 35.2 1.0
CE2 A:PHE236 4.6 34.5 1.0
O A:HIS231 4.8 24.5 1.0
CG1 A:VAL230 4.9 29.4 1.0
O A:HOH614 4.9 26.0 1.0
CE1 A:PHE236 4.9 34.9 1.0
CB A:TYR436 5.0 46.4 1.0

Reference:

M.Yamane, M.Takenoya, S.Yajima, M.Sue. Crystal Structure of Barley Agmatine Coumaroyltransferase, An N-Acyltransferase From the Bahd Superfamily. Acta Crystallogr.,Sect.F V. 76 590 2020.
ISSN: ESSN 2053-230X
PubMed: 33263570
DOI: 10.1107/S2053230X20014880
Page generated: Wed Jul 10 13:40:00 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy