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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

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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

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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

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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

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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

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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

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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

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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

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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

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