Atomistry » Nickel » PDB 6r44-6vwy » 6ttn
Atomistry »
  Nickel »
    PDB 6r44-6vwy »
      6ttn »

Nickel in PDB 6ttn: N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine

Protein crystallography data

The structure of N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine, PDB code: 6ttn was solved by A.Kluza, B.Mrugala, P.J.Porebski, K.Kurpiewska, E.Niedzialkowska, M.S.Weiss, T.Borowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.78 / 1.12
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.894, 79.841, 104.701, 90.00, 90.00, 90.00
R / Rfree (%) 12.7 / 14.6

Other elements in 6ttn:

The structure of N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine also contains other interesting chemical elements:

Strontium (Sr) 1 atom
Sodium (Na) 1 atom

Nickel Binding Sites:

The binding sites of Nickel atom in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine (pdb code 6ttn). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine, PDB code: 6ttn:

Nickel binding site 1 out of 1 in 6ttn

Go back to Nickel Binding Sites List in 6ttn
Nickel binding site 1 out of 1 in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni508

b:10.8
occ:1.00
NE2 A:HIS274 2.1 9.9 1.0
O1 A:OGA501 2.1 13.1 1.0
OD1 A:ASP219 2.1 10.4 1.0
NE2 A:HIS217 2.1 11.0 1.0
O2' A:OGA501 2.1 11.8 1.0
O A:HOH642 2.1 13.0 1.0
C2 A:OGA501 2.8 13.0 1.0
C1 A:OGA501 2.8 14.9 1.0
CD2 A:HIS274 3.0 10.3 1.0
CE1 A:HIS217 3.1 11.8 1.0
CG A:ASP219 3.1 10.7 1.0
CE1 A:HIS274 3.1 10.8 1.0
CD2 A:HIS217 3.1 10.6 1.0
HD2 A:HIS274 3.2 12.4 1.0
HE1 A:HIS217 3.2 14.2 1.0
HD2 A:HIS217 3.3 12.7 1.0
HE1 A:HIS274 3.3 12.9 1.0
OD2 A:ASP219 3.4 11.9 1.0
H9 A:HYO506 3.5 14.2 1.0
H17 A:HYO506 3.8 15.1 1.0
O A:HOH912 4.0 18.1 1.0
N1 A:OGA501 4.0 12.7 1.0
O2 A:OGA501 4.1 19.5 1.0
ND1 A:HIS217 4.2 11.8 1.0
ND1 A:HIS274 4.2 11.1 1.0
H10 A:HYO506 4.2 13.4 1.0
CG A:HIS274 4.2 10.2 1.0
CG A:HIS217 4.2 10.7 1.0
HD21 A:ASN256 4.4 21.5 1.0
CB A:ASP219 4.5 9.9 1.0
C07 A:HYO506 4.5 11.8 1.0
HA A:ASP219 4.5 11.3 1.0
H1 A:OGA501 4.6 15.2 1.0
H4C1 A:OGA501 4.6 14.9 1.0
H A:ASP219 4.7 11.2 1.0
H4C2 A:OGA501 4.7 14.9 1.0
C12 A:HYO506 4.7 12.6 1.0
C4 A:OGA501 4.7 12.4 1.0
N A:ASP219 4.8 9.3 1.0
H15 A:HYO506 4.8 15.1 1.0
CA A:ASP219 4.8 9.4 1.0
C08 A:HYO506 4.8 11.2 1.0
HG21 A:THR224 4.8 12.5 1.0
HB2 A:ASP219 4.9 11.9 1.0
HD1 A:HIS217 5.0 14.2 1.0
H8 A:HYO506 5.0 14.2 1.0
HD1 A:HIS274 5.0 13.4 1.0
HB3 A:ASP219 5.0 11.9 1.0
ND2 A:ASN256 5.0 17.9 1.0

Reference:

A.Kluza, Z.Wojdyla, B.Mrugala, K.Kurpiewska, P.J.Porebski, E.Niedzialkowska, W.Minor, M.S.Weiss, T.Borowski. Regioselectivity of Hyoscyamine 6 Beta-Hydroxylase-Catalysed Hydroxylation As Revealed By High-Resolution Structural Information and Qm/Mm Calculations Dalton Trans 2020.
ISSN: ESSN 1477-9234
DOI: 10.1039/D0DT00302F
Page generated: Wed Dec 16 01:55:27 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy