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Fluorine in PDB 9j1h: The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate

Enzymatic activity of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate

All present enzymatic activity of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate:
1.14.11.38;

Protein crystallography data

The structure of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate, PDB code: 9j1h was solved by X.Y.Wang, J.Wang, W.P.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.95 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.032, 62.077, 151.02, 90, 90, 90
R / Rfree (%) 17.2 / 19.4

Other elements in 9j1h:

The structure of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate also contains other interesting chemical elements:

Cobalt (Co) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate (pdb code 9j1h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate, PDB code: 9j1h:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 9j1h

Go back to Fluorine Binding Sites List in 9j1h
Fluorine binding site 1 out of 4 in the The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F224

b:25.6
occ:1.00
 F1 A:F2Y224 0.0 25.6 1.0
CE1 A:F2Y224 1.3 24.4 1.0
CZ A:F2Y224 2.3 26.3 1.0
CD1 A:F2Y224 2.4 23.9 1.0
OH A:F2Y224 2.8 26.8 1.0
CD2 A:LEU222 3.2 29.0 1.0
CB A:LEU222 3.3 24.2 1.0
O A:HOH503 3.4 29.5 1.0
CB A:SER151 3.5 23.7 1.0
CE2 A:F2Y224 3.6 26.5 1.0
CG A:F2Y224 3.7 24.0 1.0
OD2 A:ASP131 3.7 28.9 1.0
OG A:SER151 3.8 25.2 1.0
CG A:LEU222 3.8 24.8 1.0
CA A:SER151 4.1 22.9 1.0
CD2 A:F2Y224 4.1 24.4 1.0
CA A:LEU222 4.1 24.2 1.0
O A:ALA223 4.2 21.7 1.0
N A:ALA223 4.2 23.4 1.0
CD1 A:ILE153 4.3 24.4 1.0
N A:VAL152 4.4 23.2 1.0
C A:LEU222 4.4 23.1 1.0
CG1 A:ILE153 4.4 24.9 1.0
C A:ALA223 4.5 21.5 1.0
O A:VAL152 4.5 22.7 1.0
C A:SER151 4.6 23.6 1.0
F2 A:F2Y224 4.7 28.4 1.0
CG A:ASP131 4.8 30.1 1.0
N A:F2Y224 4.9 20.9 1.0
O A:HOH597 4.9 24.1 1.0
CB A:F2Y224 4.9 22.0 1.0
C A:VAL152 5.0 23.6 1.0

Fluorine binding site 2 out of 4 in 9j1h

Go back to Fluorine Binding Sites List in 9j1h
Fluorine binding site 2 out of 4 in the The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F224

b:28.4
occ:1.00
 F2 A:F2Y224 0.0 28.4 1.0
CE2 A:F2Y224 1.4 26.5 1.0
CZ A:F2Y224 2.4 26.3 1.0
CD2 A:F2Y224 2.4 24.4 1.0
OH A:F2Y224 2.7 26.8 1.0
O A:HOH609 3.2 21.3 1.0
O A:HOH712 3.3 24.3 1.0
O A:HOH661 3.4 30.8 1.0
CE1 A:F2Y224 3.6 24.4 1.0
CG A:F2Y224 3.7 24.0 1.0
CE1 A:PHE115 3.7 23.3 1.0
CZ A:PHE115 3.9 24.5 1.0
CD1 A:F2Y224 4.2 23.9 1.0
O A:HOH558 4.4 27.6 1.0
O A:HOH685 4.7 27.2 1.0
F1 A:F2Y224 4.7 25.6 1.0
OG1 A:THR134 4.7 28.4 1.0
O A:HOH519 4.9 23.1 1.0
CB A:F2Y224 4.9 22.0 1.0
CD1 A:PHE115 5.0 22.8 1.0

Fluorine binding site 3 out of 4 in 9j1h

Go back to Fluorine Binding Sites List in 9j1h
Fluorine binding site 3 out of 4 in the The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F224

b:25.8
occ:1.00
 F1 B:F2Y224 0.0 25.8 1.0
CE1 B:F2Y224 1.4 24.9 1.0
CZ B:F2Y224 2.3 26.1 1.0
CD1 B:F2Y224 2.4 24.6 1.0
OH B:F2Y224 2.7 26.9 1.0
O B:HOH617 2.8 27.9 1.0
OD2 B:ASP131 3.1 26.9 1.0
OG B:SER151 3.6 24.2 1.0
CE2 B:F2Y224 3.6 26.3 1.0
CB B:SER151 3.6 23.3 1.0
CG B:F2Y224 3.7 24.4 1.0
CD2 B:LEU222 3.8 25.9 1.0
CB B:LEU222 3.9 24.0 1.0
CG B:ASP131 3.9 26.9 1.0
CD2 B:F2Y224 4.1 26.2 1.0
CA B:SER151 4.3 23.7 1.0
CG B:LEU222 4.5 25.4 1.0
O B:ALA223 4.5 21.6 1.0
OD1 B:ASP131 4.5 27.4 1.0
CO B:CO502 4.6 27.4 1.0
CA B:LEU222 4.6 24.4 1.0
N B:ALA223 4.6 23.3 1.0
CG1 B:ILE153 4.6 25.2 1.0
O B:HOH690 4.7 24.0 1.0
C B:LEU222 4.7 23.9 1.0
C B:ALA223 4.7 21.7 1.0
F2 B:F2Y224 4.7 29.3 1.0
N B:VAL152 4.7 23.7 1.0
CB B:ASP131 4.8 26.6 1.0
CD1 B:ILE153 4.8 23.3 1.0
C B:SER151 4.9 23.6 1.0
CB B:F2Y224 4.9 22.1 1.0
N B:F2Y224 5.0 21.8 1.0

Fluorine binding site 4 out of 4 in 9j1h

Go back to Fluorine Binding Sites List in 9j1h
Fluorine binding site 4 out of 4 in the The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F224

b:29.3
occ:1.00
 F2 B:F2Y224 0.0 29.3 1.0
CE2 B:F2Y224 1.3 26.3 1.0
CD2 B:F2Y224 2.4 26.2 1.0
CZ B:F2Y224 2.4 26.1 1.0
O B:HOH704 2.7 29.3 1.0
OH B:F2Y224 2.8 26.9 1.0
O B:HOH641 3.4 29.2 1.0
CE1 B:F2Y224 3.7 24.9 1.0
CG B:F2Y224 3.7 24.4 1.0
CE1 B:PHE115 3.8 24.9 1.0
CZ B:PHE115 4.1 26.4 1.0
CD1 B:F2Y224 4.2 24.6 1.0
O B:HOH726 4.3 24.8 1.0
O B:HOH738 4.6 28.4 1.0
OG1 B:THR134 4.7 29.9 1.0
F1 B:F2Y224 4.7 25.8 1.0
O B:HOH691 4.8 31.6 1.0
CB B:F2Y224 4.9 22.1 1.0
CD1 B:PHE115 5.0 25.6 1.0

Reference:

X.Wang, L.Yang, S.Wang, J.Wang, K.Li, N.Naowarojna, Y.Ju, K.Ye, Y.Han, W.Yan, X.Liu, L.Zhang, P.Liu. Characterizing Y224 Conformational Flexibility in FTMOX1-Catalysis Using 19 F uc(Nmr) Spectroscopy. Catalysis Science and V. 15 386 2025TECHNOLOGY.
ISSN: ISSN 2044-4753
PubMed: 39669701
DOI: 10.1039/D4CY01077A
Page generated: Wed Jul 16 11:41:43 2025

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