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Calcium in PDB 6fox: The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Kynurenine

Enzymatic activity of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Kynurenine

All present enzymatic activity of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Kynurenine:
1.14.13.9;

Protein crystallography data

The structure of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Kynurenine, PDB code: 6fox 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) 44.02 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.908, 52.542, 136.173, 90.00, 104.14, 90.00
R / Rfree (%) 17 / 21.5

Calcium Binding Sites:

The binding sites of Calcium atom in the The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Kynurenine (pdb code 6fox). 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 Kynurenine, PDB code: 6fox:

Calcium binding site 1 out of 1 in 6fox

Go back to Calcium Binding Sites List in 6fox
Calcium binding site 1 out of 1 in the The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Kynurenine


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 Kynurenine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:26.7
occ:1.00
 H A:GLY323 2.3 13.0 1.0
HA A:PRO318 2.4 23.5 1.0
H A:GLN322 2.8 13.2 1.0
O A:HOH881 3.0 19.2 1.0
H1'2 A:FAD501 3.0 17.1 1.0
N A:GLY323 3.1 10.8 1.0
N10 A:FAD501 3.1 15.6 1.0
C10 A:FAD501 3.2 9.6 1.0
HA2 A:GLY321 3.2 23.0 1.0
O A:HOH812 3.2 18.0 1.0
CA A:PRO318 3.3 19.6 1.0
HA3 A:GLY323 3.4 17.0 1.0
N1 A:FAD501 3.4 11.3 1.0
N A:GLN322 3.4 11.0 1.0
H A:GLY321 3.5 15.4 1.0
C1' A:FAD501 3.5 14.2 1.0
HB3 A:PRO318 3.6 21.0 1.0
H1'1 A:FAD501 3.6 17.1 1.0
O A:PRO318 3.7 21.4 1.0
C9A A:FAD501 3.7 15.0 1.0
C4X A:FAD501 3.7 11.8 1.0
C A:PRO318 3.8 24.4 1.0
CA A:GLY321 3.8 19.1 1.0
CA A:GLY323 3.8 14.1 1.0
CB A:PRO318 3.9 17.5 1.0
N A:GLY321 3.9 12.8 1.0
C A:GLY321 3.9 18.2 1.0
HB2 A:PRO318 4.0 21.0 1.0
HG3 A:MET316 4.0 14.7 1.0
O A:VAL317 4.1 15.1 1.0
C2 A:FAD501 4.1 13.7 1.0
C A:GLN322 4.2 9.8 1.0
C5X A:FAD501 4.2 15.7 1.0
N5 A:FAD501 4.2 11.4 1.0
HA2 A:GLY323 4.3 17.0 1.0
CA A:GLN322 4.4 14.1 1.0
N A:PRO318 4.4 16.0 1.0
H A:HIS320 4.4 22.0 1.0
C9 A:FAD501 4.4 16.2 1.0
C4 A:FAD501 4.5 11.5 1.0
H9 A:FAD501 4.5 19.5 1.0
H A:MET324 4.5 13.1 0.5
H A:MET324 4.5 13.4 0.5
C A:VAL317 4.6 13.8 1.0
N3 A:FAD501 4.6 14.6 1.0
HA3 A:GLY321 4.7 23.0 1.0
CG A:MET316 4.7 12.2 1.0
N A:PHE319 4.8 19.4 1.0
HG2 A:MET316 4.8 14.7 1.0
O2 A:FAD501 4.9 14.6 1.0
HB2 A:GLN322 4.9 17.6 1.0
C2' A:FAD501 4.9 15.5 1.0
C A:HIS320 5.0 15.1 1.0
SD A:MET316 5.0 13.6 1.0
O A:GLY321 5.0 13.9 1.0

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 07:51:46 2024

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