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Calcium in PDB 6foy: The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 9

Enzymatic activity of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 9

All present enzymatic activity of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 9:
1.14.13.9;

Protein crystallography data

The structure of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 9, PDB code: 6foy was solved by C.W.Levy, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 67.78 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.800, 52.977, 135.765, 90.00, 103.83, 90.00
R / Rfree (%) 16.4 / 21.4

Other elements in 6foy:

The structure of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 9 also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 9 (pdb code 6foy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 9, PDB code: 6foy:

Calcium binding site 1 out of 1 in 6foy

Go back to Calcium Binding Sites List in 6foy
Calcium binding site 1 out of 1 in the The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 9


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 9 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:35.5
occ:1.00
 HG A:SER147 1.8 21.6 1.0
O A:HOH879 2.4 17.0 1.0
O A:HOH621 2.4 18.1 1.0
OG A:SER147 2.4 18.0 1.0
O A:ASN148 2.5 15.6 1.0
O A:SER147 2.6 14.0 1.0
C A:SER147 3.1 13.1 1.0
C A:ASN148 3.3 16.0 1.0
CB A:SER147 3.4 16.3 1.0
HB2 A:SER147 3.5 19.5 1.0
HH21 A:ARG37 3.6 14.0 0.5
CA A:SER147 3.7 13.1 1.0
N A:ASN148 3.7 17.1 1.0
H A:GLY133 3.7 11.9 1.0
HA A:VAL149 3.8 24.5 0.5
HA A:VAL149 3.8 24.1 0.5
HE A:ARG37 3.9 12.7 0.5
H A:SER147 3.9 14.1 1.0
HA2 A:GLY151 3.9 31.9 1.0
CA A:ASN148 3.9 15.5 1.0
HA A:ASN148 4.0 18.6 1.0
HA3 A:GLY133 4.0 12.8 1.0
OD1 A:ASP135 4.1 28.1 1.0
H A:GLY151 4.2 32.1 1.0
N A:VAL149 4.2 18.6 1.0
HB3 A:SER147 4.2 19.5 1.0
N A:SER147 4.2 11.8 1.0
O A:HOH928 4.2 27.3 1.0
OD2 A:ASP135 4.3 28.4 1.0
O A:GLY133 4.3 12.5 1.0
O A:HOH809 4.3 32.4 1.0
NH2 A:ARG37 4.4 11.7 0.5
H A:ASN148 4.4 20.5 1.0
CA A:VAL149 4.4 20.4 0.5
O A:HOH801 4.4 18.4 1.0
CA A:VAL149 4.4 20.1 0.5
N A:GLY133 4.5 9.9 1.0
HG3 A:ARG37 4.5 18.1 0.5
CA A:GLY133 4.6 10.7 1.0
HA A:SER147 4.6 15.8 1.0
CG A:ASP135 4.6 25.1 1.0
NE A:ARG37 4.6 10.6 0.5
HD2 A:ARG37 4.7 20.4 0.5
CA A:GLY151 4.8 26.6 1.0
N A:GLY151 4.8 26.7 1.0
HH11 A:ARG153 4.8 51.7 1.0
HH12 A:ARG153 4.8 51.7 1.0
C A:GLY133 4.8 9.0 1.0
C A:VAL149 4.9 21.2 1.0
HH22 A:ARG37 4.9 14.0 0.5
H A:VAL149 4.9 22.3 0.5
H A:VAL149 4.9 22.3 0.5
NH1 A:ARG153 5.0 43.1 1.0
CZ A:ARG37 5.0 12.5 0.5

Reference:

S.Zhang, M.Sakuma, G.S.Deora, C.W.Levy, A.Klausing, C.Breda, K.Read, C.D.Edlin, B.P.Ross, M.W.Muelas, P.J.Day, S.O'hagan, D.B.Kell, R.Schwarcz, D.Leys, D.J.Heyes, F.Giorgini, N.S.Scrutton. Neuroprotective Brain-Permeable Inhibitors of Kynurenine 3-Monooxygenase To Be Published.
Page generated: Tue Jul 16 07:52:14 2024

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