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Fluorine in PDB 7eo9: Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx

Protein crystallography data

The structure of Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx, PDB code: 7eo9 was solved by T.Ogawa, X.Jiang, N.Hirokawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.68 / 2.57
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.502, 57.319, 154.826, 90, 90, 90
R / Rfree (%) 22.5 / 23.9

Other elements in 7eo9:

The structure of Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx also contains other interesting chemical elements:

Aluminium (Al) 1 atom
Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx (pdb code 7eo9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx, PDB code: 7eo9:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7eo9

Go back to Fluorine Binding Sites List in 7eo9
Fluorine binding site 1 out of 3 in the Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:54.4
occ:1.00
F1 A:AF3402 0.0 54.4 1.0
AL A:AF3402 1.8 60.8 1.0
MG A:MG403 1.9 67.8 1.0
O2B A:ADP401 2.6 37.5 1.0
O A:HOH508 2.9 38.5 1.0
OD1 A:ASP248 3.1 35.4 1.0
F3 A:AF3402 3.2 55.3 1.0
F2 A:AF3402 3.2 48.2 1.0
CE A:LYS103 3.5 35.4 1.0
O A:HOH516 3.6 40.0 1.0
PB A:ADP401 3.6 36.4 1.0
O3B A:ADP401 3.6 40.8 1.0
OD2 A:ASP248 3.8 33.2 1.0
CG A:ASP248 3.8 33.0 1.0
O A:LEU249 3.9 37.2 1.0
CB A:SER104 4.0 37.7 1.0
NZ A:LYS103 4.1 36.1 1.0
CB A:LYS103 4.1 34.1 1.0
N A:SER104 4.2 38.6 1.0
O3A A:ADP401 4.6 37.8 1.0
OG A:SER104 4.6 45.8 1.0
CD A:LYS103 4.6 36.5 1.0
CA A:SER104 4.7 39.4 1.0
O1B A:ADP401 4.7 39.7 1.0
NH2 A:ARG203 4.8 47.5 1.0
CG A:LYS103 4.9 35.3 1.0
C A:LYS103 5.0 34.7 1.0

Fluorine binding site 2 out of 3 in 7eo9

Go back to Fluorine Binding Sites List in 7eo9
Fluorine binding site 2 out of 3 in the Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:48.2
occ:1.00
F2 A:AF3402 0.0 48.2 1.0
AL A:AF3402 1.8 60.8 1.0
MG A:MG403 1.9 67.8 1.0
OG A:SER104 2.9 45.8 1.0
F3 A:AF3402 3.1 55.3 1.0
O2B A:ADP401 3.2 37.5 1.0
F1 A:AF3402 3.2 54.4 1.0
O3A A:ADP401 3.2 37.8 1.0
CB A:SER104 3.4 37.7 1.0
PB A:ADP401 3.6 36.4 1.0
O3B A:ADP401 3.8 40.8 1.0
O2A A:ADP401 3.8 43.0 1.0
O A:HOH517 3.9 40.5 1.0
PA A:ADP401 4.0 39.3 1.0
O5' A:ADP401 4.5 41.8 1.0
CA A:SER104 4.6 39.4 1.0
N A:SER104 4.6 38.6 1.0

Fluorine binding site 3 out of 3 in 7eo9

Go back to Fluorine Binding Sites List in 7eo9
Fluorine binding site 3 out of 3 in the Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:55.3
occ:1.00
F3 A:AF3402 0.0 55.3 1.0
AL A:AF3402 1.8 60.8 1.0
O A:HOH516 2.9 40.0 1.0
F2 A:AF3402 3.1 48.2 1.0
F1 A:AF3402 3.2 54.4 1.0
O3B A:ADP401 3.2 40.8 1.0
O A:HOH508 3.5 38.5 1.0
MG A:MG403 3.7 67.8 1.0
CA A:SER215 3.8 40.2 1.0
O A:THR213 4.0 40.2 1.0
CB A:SER215 4.1 42.7 1.0
PB A:ADP401 4.2 36.4 1.0
O2B A:ADP401 4.2 37.5 1.0
N A:SER215 4.2 37.0 1.0
CG2 A:THR99 4.4 31.7 1.0
O A:SER214 4.4 42.4 1.0
C A:SER214 4.5 38.5 1.0
O3A A:ADP401 4.6 37.8 1.0

Reference:

M.Morikawa, T.Ogawa, N.Hirokawa. Crystal Structure of KIF1A Motor-Neck Domain with Adp-Mg-Alfx To Be Published.
Page generated: Fri Aug 2 06:43:42 2024

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