Atomistry » Arsenic » PDB 3n67-3smt » 3p4u
Atomistry »
  Arsenic »
    PDB 3n67-3smt »
      3p4u »

Arsenic in PDB 3p4u: Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor

Enzymatic activity of Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor

All present enzymatic activity of Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor:
3.4.22.59;

Protein crystallography data

The structure of Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor, PDB code: 3p4u was solved by I.Mueller, M.B.A.C.Lamers, A.J.Ritchie, C.Dominguez, I.Munoz, M.Maillard, A.Kiselyov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.90 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.455, 89.500, 61.245, 90.00, 111.73, 90.00
R / Rfree (%) 15 / 18.5

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor (pdb code 3p4u). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 7 binding sites of Arsenic where determined in the Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor, PDB code: 3p4u:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7;

Arsenic binding site 1 out of 7 in 3p4u

Go back to Arsenic Binding Sites List in 3p4u
Arsenic binding site 1 out of 7 in the Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor


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 Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As68

b:16.5
occ:0.50
 AS A:CAS68 0.0 16.5 0.5
CE2 A:CAS68 2.0 15.0 0.5
CE1 A:CAS68 2.0 13.6 0.5
SG A:CAS68 2.2 11.2 0.5
CB A:CAS68 2.9 8.3 0.5
CB A:CAS68 3.0 9.1 0.5
SG A:CAS68 4.0 8.4 0.5
NH2 A:ARG71 4.0 7.3 1.0
OD2 A:ASP72 4.0 9.3 1.0
CA A:CAS68 4.1 8.3 0.5
C A:CAS68 4.1 8.4 1.0
CA A:CAS68 4.2 8.8 0.5
O A:HOH275 4.4 17.8 1.0
O A:CAS68 4.4 8.8 1.0
N A:ALA69 4.5 8.0 1.0
CG A:ASP72 4.9 7.3 1.0

Arsenic binding site 2 out of 7 in 3p4u

Go back to Arsenic Binding Sites List in 3p4u
Arsenic binding site 2 out of 7 in the Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor


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 Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As264

b:16.1
occ:1.00
 AS B:CAS264 0.0 16.1 1.0
CE1 B:CAS264 2.0 17.3 1.0
CE2 B:CAS264 2.0 15.5 1.0
SG B:CAS264 2.2 14.4 1.0
CB B:CAS264 3.0 13.4 1.0
O E:VAL702 3.2 12.5 1.0
CA B:CAS264 3.6 13.4 1.0
O B:HOH507 3.8 15.3 1.0
O E:HOH805 3.8 27.9 1.0
O B:PHE263 4.1 12.0 1.0
O B:HOH448 4.1 20.1 1.0
C E:VAL702 4.2 12.6 1.0
CG1 B:VAL261 4.4 6.1 1.0
N B:LYS265 4.5 14.4 1.0
C B:CAS264 4.5 13.8 1.0
CB E:VAL702 4.6 12.8 1.0
N B:CAS264 4.7 12.7 1.0
C B:PHE263 4.8 11.9 1.0
CA E:VAL702 4.9 12.9 1.0
O E:HOH804 5.0 26.9 1.0

Arsenic binding site 3 out of 7 in 3p4u

Go back to Arsenic Binding Sites List in 3p4u
Arsenic binding site 3 out of 7 in the Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor


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 Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As277

b:10.0
occ:1.00
 AS B:CAS277 0.0 10.0 1.0
CE2 B:CAS277 2.0 9.8 1.0
CE1 B:CAS277 2.0 9.8 1.0
SG B:CAS277 2.2 6.4 1.0
CB B:CAS277 3.1 4.4 1.0
O B:HOH432 3.1 13.1 1.0
O B:HOH424 3.5 7.5 1.0
NH1 A:ARG164 3.6 5.9 1.0
O B:CAS277 4.2 3.3 1.0
C B:CAS277 4.3 3.8 1.0
CA B:CAS277 4.3 4.0 1.0
CG B:GLU214 4.3 8.0 1.0
CD2 B:TYR210 4.4 7.5 1.0
CB D:ALA279 4.4 3.0 1.0
CZ A:ARG164 4.5 5.3 1.0
NH2 A:ARG164 4.5 5.2 1.0
OE2 B:GLU214 4.6 11.7 1.0
N B:GLU214 4.8 5.9 1.0
CA B:ALA213 4.9 5.2 1.0
N B:PHE278 4.9 3.4 1.0
CD B:GLU214 4.9 10.6 1.0
CG B:TYR210 4.9 6.3 1.0
CE2 B:TYR210 4.9 8.7 1.0
CB B:TYR210 5.0 4.9 1.0

Arsenic binding site 4 out of 7 in 3p4u

Go back to Arsenic Binding Sites List in 3p4u
Arsenic binding site 4 out of 7 in the Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor


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 Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As68

b:17.4
occ:0.50
 AS C:CAS68 0.0 17.4 0.5
CE2 C:CAS68 2.0 16.5 0.5
CE1 C:CAS68 2.0 16.2 0.5
SG C:CAS68 2.2 12.0 1.0
CB C:CAS68 3.1 7.8 1.0
NH1 C:ARG71 3.3 13.9 1.0
CZ C:ARG71 3.5 13.8 1.0
ND2 C:ASN51 3.6 5.4 1.0
NH2 C:ARG71 3.7 12.8 1.0
OD1 C:ASN89 3.9 13.6 1.0
CA C:CAS68 3.9 7.2 1.0
O C:HOH318 3.9 27.8 1.0
NE C:ARG71 4.1 11.5 1.0
O C:HOH377 4.5 39.9 1.0
CD C:ARG71 4.6 9.8 1.0
CG C:ASN89 4.6 13.3 1.0
N C:CAS68 4.8 6.5 1.0
CG C:ASN51 4.9 6.1 1.0
OE2 C:GLU53 4.9 16.6 1.0

Arsenic binding site 5 out of 7 in 3p4u

Go back to Arsenic Binding Sites List in 3p4u
Arsenic binding site 5 out of 7 in the Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor


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 Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As87

b:18.9
occ:0.50
 AS C:CAS87 0.0 18.9 0.5
CE2 C:CAS87 2.0 16.1 0.5
CE1 C:CAS87 2.0 16.5 0.5
SG C:CAS87 2.0 12.3 0.5
SG C:CAS87 2.2 11.1 0.5
CB C:CAS87 3.0 10.4 0.5
CB C:CAS87 3.0 10.3 0.5
O C:HOH309 3.2 24.1 1.0
N C:CAS87 3.7 9.9 1.0
CA C:CAS87 3.9 10.2 0.5
OG1 C:THR75 3.9 4.0 1.0
CA C:CAS87 4.0 10.3 0.5
CG1 C:VAL85 4.4 6.2 1.0
CG2 C:THR75 4.4 5.3 1.0
C C:LYS86 4.4 9.3 1.0
O C:VAL85 4.7 6.7 1.0
O C:HOH336 4.7 30.6 1.0
CA C:LYS86 4.8 9.0 1.0
CB C:THR75 4.8 5.1 1.0
CD C:ARG71 4.9 9.8 1.0
C C:CAS87 4.9 10.4 1.0
C C:VAL85 5.0 7.3 1.0

Arsenic binding site 6 out of 7 in 3p4u

Go back to Arsenic Binding Sites List in 3p4u
Arsenic binding site 6 out of 7 in the Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor


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 Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:As264

b:15.9
occ:1.00
 AS D:CAS264 0.0 15.9 1.0
CE2 D:CAS264 2.0 16.1 1.0
CE1 D:CAS264 2.0 15.0 1.0
SG D:CAS264 2.2 14.9 1.0
CB D:CAS264 3.1 13.2 1.0
O F:VAL802 3.2 11.9 1.0
CA D:CAS264 3.6 13.3 1.0
O D:HOH443 3.7 14.6 1.0
O F:HOH904 3.8 14.7 1.0
O D:PHE263 4.0 11.9 1.0
O D:HOH478 4.2 18.9 1.0
C F:VAL802 4.2 11.8 1.0
CG1 D:VAL261 4.3 5.5 1.0
N D:LYS265 4.4 14.2 1.0
C D:CAS264 4.5 13.6 1.0
CB F:VAL802 4.6 12.2 1.0
N D:CAS264 4.7 12.6 1.0
O D:HOH489 4.7 35.9 1.0
C D:PHE263 4.8 12.0 1.0
CA F:VAL802 4.9 12.2 1.0

Arsenic binding site 7 out of 7 in 3p4u

Go back to Arsenic Binding Sites List in 3p4u
Arsenic binding site 7 out of 7 in the Crystal Structure of Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor


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 Active Caspase-6 in Complex with Ac-Veid-Cho Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:As277

b:9.2
occ:1.00
 AS D:CAS277 0.0 9.2 1.0
CE2 D:CAS277 2.0 10.2 1.0
CE1 D:CAS277 2.0 9.1 1.0
SG D:CAS277 2.2 6.5 1.0
CB D:CAS277 3.1 4.3 1.0
O C:HOH231 3.2 14.3 1.0
O D:HOH444 3.5 10.0 1.0
NH1 C:ARG164 3.6 7.3 1.0
O D:CAS277 4.2 3.6 1.0
C D:CAS277 4.3 3.9 1.0
CA D:CAS277 4.3 4.1 1.0
CD2 D:TYR210 4.3 6.8 1.0
CG D:GLU214 4.3 8.7 1.0
CB B:ALA279 4.4 2.8 1.0
NH2 C:ARG164 4.5 8.3 1.0
CZ C:ARG164 4.5 7.0 1.0
OE2 D:GLU214 4.6 14.0 1.0
N D:GLU214 4.8 6.3 1.0
CE2 D:TYR210 4.8 7.0 1.0
N D:PHE278 4.9 3.6 1.0
CD D:GLU214 4.9 11.3 1.0
CA D:ALA213 4.9 5.3 1.0
CG D:TYR210 5.0 5.4 1.0

Reference:

I.Mueller, M.B.A.C.Lamers, A.J.Ritchie, C.Dominguez, I.Munoz, M.Maillard, A.Kiselyov. Crystal Structures of Active and Inhibitor-Bound Human CASP6 To Be Published.
Page generated: Sun Jul 6 23:31:11 2025

Last articles

Br in 1EET
Br in 1EBA
Br in 1EAO
Br in 1E4H
Br in 1E5A
Br in 1DD4
Br in 1DP7
Br in 1DN5
Br in 1DOE
Br in 1DN4
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy