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Chlorine in PDB 6fp0: The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 4

Enzymatic activity of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 4

All present enzymatic activity of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 4:
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. 4, PDB code: 6fp0 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) 72.13 / 2.03
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 74.592, 46.577, 133.996, 90.00, 104.76, 90.00
R / Rfree (%) 17.5 / 21.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 4 (pdb code 6fp0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 4, PDB code: 6fp0:

Chlorine binding site 1 out of 1 in 6fp0

Go back to Chlorine Binding Sites List in 6fp0
Chlorine binding site 1 out of 1 in the The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of P.Fluorescens Kynurenine 3-Monooxygenase (Kmo) in Complex with Competitive Inhibitor No. 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:47.7
occ:1.00
 CL7 B:E0N502 0.0 47.7 1.0
C06 B:E0N502 1.8 43.9 1.0
HZ B:PHE237 2.6 38.5 1.0
C05 B:E0N502 2.8 43.2 1.0
C08 B:E0N502 2.8 40.2 1.0
H051 B:E0N502 2.9 52.0 1.0
H081 B:E0N502 2.9 48.3 1.0
HB2 B:PRO317 3.1 43.1 1.0
O B:PRO317 3.2 47.8 1.0
HG21 B:ILE223 3.3 48.6 1.0
H6 B:FAD501 3.4 32.3 1.0
HE2 B:PHE237 3.4 41.2 1.0
CZ B:PHE237 3.4 32.0 1.0
HG2 B:PRO317 3.6 39.9 1.0
HD13 B:ILE223 3.7 49.6 1.0
CE2 B:PHE237 3.8 34.3 1.0
C6 B:FAD501 3.8 26.8 1.0
CB B:PRO317 3.9 35.9 1.0
HA B:PHE318 4.0 46.6 1.0
HM73 B:FAD501 4.0 39.1 1.0
C B:PRO317 4.0 39.7 1.0
CG2 B:ILE223 4.1 40.5 1.0
C04 B:E0N502 4.1 44.5 1.0
C09 B:E0N502 4.1 44.1 1.0
HG23 B:ILE223 4.2 48.6 1.0
CG B:PRO317 4.2 33.2 1.0
N5 B:FAD501 4.4 23.8 1.0
C5X B:FAD501 4.4 26.6 1.0
O B:HOH693 4.4 35.0 1.0
HG22 B:ILE223 4.4 48.6 1.0
HG21 B:THR235 4.5 32.8 1.0
HB B:THR235 4.5 32.0 1.0
C7 B:FAD501 4.5 28.6 1.0
HG1 B:THR235 4.6 34.9 1.0
CE1 B:PHE237 4.6 31.5 1.0
HG3 B:PRO317 4.6 39.9 1.0
HB3 B:PRO317 4.6 43.1 1.0
C03 B:E0N502 4.6 45.3 1.0
CA B:PRO317 4.7 37.5 1.0
CD1 B:ILE223 4.7 41.3 1.0
C7M B:FAD501 4.7 32.6 1.0
HE1 B:PHE237 4.7 37.8 1.0
H041 B:E0N502 4.8 53.5 1.0
CA B:PHE318 4.8 38.8 1.0
N B:PHE318 4.9 36.1 1.0
HD12 B:ILE223 5.0 49.6 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: Sat Jul 27 23:24:57 2024

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