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Fluorine in PDB 7g40: Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm, PDB code: 7g40 was solved by M.Stihle, J.Benz, D.Hunziker, P.Mattei, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.66 / 1.89
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.761, 91.458, 119.565, 90, 90, 90
R / Rfree (%) 18.7 / 22.8

Other elements in 7g40:

The structure of Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 1 atom
Calcium (Ca) 2 atoms
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm (pdb code 7g40). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm, PDB code: 7g40:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7g40

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Fluorine binding site 1 out of 6 in the Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm


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 Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:46.9
occ:0.50
 F41 A:YPI901 0.0 46.9 0.5
F41 A:YPI901 0.6 48.8 0.5
C40 A:YPI901 0.9 47.7 0.5
C40 A:YPI901 1.4 44.8 0.5
F43 A:YPI901 1.9 47.9 0.5
C39 A:YPI901 1.9 45.9 0.5
F42 A:YPI901 2.0 45.1 0.5
F43 A:YPI901 2.2 45.6 0.5
F42 A:YPI901 2.2 43.2 0.5
C39 A:YPI901 2.4 43.3 0.5
O38 A:YPI901 2.5 43.5 0.5
O38 A:YPI901 3.0 47.4 0.5
CD1 A:TYR214 3.6 23.9 1.0
CE1 A:PHE274 3.6 56.2 1.0
CZ A:PHE274 3.8 60.0 1.0
CZ3 A:TRP254 3.8 29.6 1.0
C30 A:YPI901 3.8 43.2 0.5
CH2 A:TRP260 3.9 28.6 1.0
C30 A:YPI901 4.1 46.0 0.5
CE1 A:TYR214 4.3 24.1 1.0
CH2 A:TRP254 4.4 28.4 1.0
CG A:TYR214 4.4 22.9 1.0
CE3 A:TRP254 4.4 29.4 1.0
CB A:TYR214 4.5 21.9 1.0
N29 A:YPI901 4.5 44.8 0.5
CZ2 A:TRP260 4.6 29.5 1.0
C34 A:YPI901 4.7 43.6 0.5
CA A:TYR214 4.7 19.8 1.0
C34 A:YPI901 4.7 45.6 0.5
CD1 A:PHE274 4.7 57.4 1.0
C33 A:YPI901 4.7 42.9 0.5
C33 A:YPI901 4.8 45.1 0.5
N29 A:YPI901 4.9 46.4 0.5
N A:TYR214 4.9 19.0 1.0
CZ3 A:TRP260 4.9 28.8 1.0
CE2 A:PHE274 4.9 61.0 1.0

Fluorine binding site 2 out of 6 in 7g40

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Fluorine binding site 2 out of 6 in the Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm


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 Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:48.8
occ:0.50
 F41 A:YPI901 0.0 48.8 0.5
F41 A:YPI901 0.6 46.9 0.5
C40 A:YPI901 1.4 47.7 0.5
C40 A:YPI901 1.7 44.8 0.5
F42 A:YPI901 2.1 43.2 0.5
F43 A:YPI901 2.2 47.9 0.5
F42 A:YPI901 2.2 45.1 0.5
C39 A:YPI901 2.5 45.9 0.5
F43 A:YPI901 2.5 45.6 0.5
C39 A:YPI901 2.8 43.3 0.5
O38 A:YPI901 3.0 43.5 0.5
CZ3 A:TRP254 3.4 29.6 1.0
CD1 A:TYR214 3.5 23.9 1.0
O38 A:YPI901 3.5 47.4 0.5
CZ A:PHE274 3.7 60.0 1.0
CE1 A:PHE274 3.8 56.2 1.0
CH2 A:TRP260 4.0 28.6 1.0
CE3 A:TRP254 4.0 29.4 1.0
CH2 A:TRP254 4.0 28.4 1.0
CE1 A:TYR214 4.1 24.1 1.0
C30 A:YPI901 4.3 43.2 0.5
CG A:TYR214 4.4 22.9 1.0
CZ2 A:TRP260 4.4 29.5 1.0
C30 A:YPI901 4.6 46.0 0.5
CB A:TYR214 4.6 21.9 1.0
CE2 A:PHE274 4.8 61.0 1.0
CD1 A:PHE274 4.8 57.4 1.0
CA A:TYR214 4.9 19.8 1.0
N29 A:YPI901 4.9 44.8 0.5
CD2 A:TRP254 5.0 29.8 1.0
CZ2 A:TRP254 5.0 27.8 1.0

Fluorine binding site 3 out of 6 in 7g40

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Fluorine binding site 3 out of 6 in the Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm


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 Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:43.2
occ:0.50
 F42 A:YPI901 0.0 43.2 0.5
C40 A:YPI901 1.4 44.8 0.5
F42 A:YPI901 1.5 45.1 0.5
C40 A:YPI901 1.9 47.7 0.5
F43 A:YPI901 2.0 47.9 0.5
F41 A:YPI901 2.1 48.8 0.5
F41 A:YPI901 2.2 46.9 0.5
F43 A:YPI901 2.2 45.6 0.5
C39 A:YPI901 2.4 43.3 0.5
CZ3 A:TRP254 2.8 29.6 1.0
CH2 A:TRP254 2.8 28.4 1.0
CD1 A:PHE210 3.1 40.2 1.0
CE1 A:PHE210 3.3 40.3 1.0
C39 A:YPI901 3.4 45.9 0.5
O38 A:YPI901 3.5 43.5 0.5
O38 A:YPI901 3.7 47.4 0.5
CZ2 A:TRP254 4.0 27.8 1.0
CE3 A:TRP254 4.0 29.4 1.0
CG A:PHE210 4.4 34.6 1.0
CZ A:PHE210 4.7 41.8 1.0
C30 A:YPI901 4.7 43.2 0.5
CD1 A:TYR214 4.7 23.9 1.0
C30 A:YPI901 4.8 46.0 0.5
CE2 A:TRP254 4.9 29.1 1.0
CB A:TYR214 4.9 21.9 1.0
CD2 A:TRP254 4.9 29.8 1.0
N29 A:YPI901 4.9 44.8 0.5
CE1 A:PHE274 5.0 56.2 1.0
CB A:PHE210 5.0 27.8 1.0

Fluorine binding site 4 out of 6 in 7g40

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Fluorine binding site 4 out of 6 in the Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:45.1
occ:0.50
 F42 A:YPI901 0.0 45.1 0.5
C39 A:YPI901 1.2 43.3 0.5
C40 A:YPI901 1.2 44.8 0.5
C40 A:YPI901 1.4 47.7 0.5
F42 A:YPI901 1.5 43.2 0.5
F41 A:YPI901 2.0 46.9 0.5
F43 A:YPI901 2.2 47.9 0.5
F41 A:YPI901 2.2 48.8 0.5
O38 A:YPI901 2.3 43.5 0.5
C39 A:YPI901 2.4 45.9 0.5
O38 A:YPI901 2.4 47.4 0.5
F43 A:YPI901 2.5 45.6 0.5
C30 A:YPI901 3.3 43.2 0.5
C30 A:YPI901 3.4 46.0 0.5
N29 A:YPI901 3.5 44.8 0.5
N29 A:YPI901 3.7 46.4 0.5
CE1 A:PHE210 3.7 40.3 1.0
CD1 A:PHE210 3.8 40.2 1.0
CE1 A:PHE274 3.9 56.2 1.0
CH2 A:TRP254 4.2 28.4 1.0
CZ3 A:TRP254 4.2 29.6 1.0
CZ A:PHE274 4.4 60.0 1.0
CD1 A:PHE274 4.4 57.4 1.0
C5 A:YPI901 4.4 52.0 0.5
C33 A:YPI901 4.6 42.9 0.5
C5 A:YPI901 4.6 51.0 0.5
C33 A:YPI901 4.6 45.1 0.5
C28 A:YPI901 4.8 46.1 0.5
CB A:LEU213 4.8 20.1 1.0
CZ A:PHE210 5.0 41.8 1.0
C28 A:YPI901 5.0 47.9 0.5
C34 A:YPI901 5.0 45.6 0.5

Fluorine binding site 5 out of 6 in 7g40

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Fluorine binding site 5 out of 6 in the Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:45.6
occ:0.50
 F43 A:YPI901 0.0 45.6 0.5
F43 A:YPI901 0.4 47.9 0.5
C40 A:YPI901 1.4 44.8 0.5
C40 A:YPI901 1.7 47.7 0.5
F41 A:YPI901 2.2 46.9 0.5
F42 A:YPI901 2.2 43.2 0.5
C39 A:YPI901 2.4 43.3 0.5
F41 A:YPI901 2.5 48.8 0.5
F42 A:YPI901 2.5 45.1 0.5
C39 A:YPI901 2.7 45.9 0.5
O38 A:YPI901 3.0 43.5 0.5
O38 A:YPI901 3.1 47.4 0.5
N A:TYR214 3.2 19.0 1.0
CB A:TYR214 3.3 21.9 1.0
CA A:TYR214 3.4 19.8 1.0
CB A:LEU213 3.6 20.1 1.0
C A:LEU213 3.7 20.3 1.0
O A:PHE210 3.8 22.8 1.0
CZ3 A:TRP254 3.8 29.6 1.0
CD1 A:TYR214 3.8 23.9 1.0
CG A:TYR214 3.9 22.9 1.0
CD1 A:PHE210 4.0 40.2 1.0
CA A:LEU213 4.2 20.1 1.0
O A:LEU213 4.2 22.1 1.0
C30 A:YPI901 4.3 43.2 0.5
CH2 A:TRP254 4.4 28.4 1.0
C30 A:YPI901 4.5 46.0 0.5
CA A:PHE210 4.6 24.9 1.0
C A:PHE210 4.6 22.8 1.0
CE1 A:PHE210 4.7 40.3 1.0
CE3 A:TRP254 4.7 29.4 1.0
N A:LEU213 4.9 18.3 1.0
CG A:LEU213 4.9 20.2 1.0
C34 A:YPI901 4.9 43.6 0.5
CD1 A:LEU213 4.9 22.3 1.0
CE1 A:TYR214 5.0 24.1 1.0
CG A:PHE210 5.0 34.6 1.0
CB A:PHE210 5.0 27.8 1.0
C34 A:YPI901 5.0 45.6 0.5

Fluorine binding site 6 out of 6 in 7g40

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Fluorine binding site 6 out of 6 in the Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Rat Autotaxin in Complex with 1H-Benzotriazol-5- Yl-[Rac-(1R,2S,6R,7S)-9-[1-(2,2,2-Trifluoroethoxy)Isoquinoline-3- Carbonyl]-4,9-Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2) C(=O)C1NC(C2C(C1)CCCC2)Occ(F)(F)F with IC50=0.0187536 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:47.9
occ:0.50
 F43 A:YPI901 0.0 47.9 0.5
F43 A:YPI901 0.4 45.6 0.5
C40 A:YPI901 1.0 44.8 0.5
C40 A:YPI901 1.4 47.7 0.5
F41 A:YPI901 1.9 46.9 0.5
F42 A:YPI901 2.0 43.2 0.5
C39 A:YPI901 2.1 43.3 0.5
F42 A:YPI901 2.2 45.1 0.5
F41 A:YPI901 2.2 48.8 0.5
C39 A:YPI901 2.5 45.9 0.5
O38 A:YPI901 2.7 43.5 0.5
O38 A:YPI901 2.8 47.4 0.5
N A:TYR214 3.5 19.0 1.0
CB A:TYR214 3.6 21.9 1.0
CB A:LEU213 3.7 20.1 1.0
CA A:TYR214 3.7 19.8 1.0
CZ3 A:TRP254 3.7 29.6 1.0
CD1 A:TYR214 3.8 23.9 1.0
C A:LEU213 3.9 20.3 1.0
CD1 A:PHE210 4.0 40.2 1.0
C30 A:YPI901 4.0 43.2 0.5
O A:PHE210 4.1 22.8 1.0
CG A:TYR214 4.1 22.9 1.0
C30 A:YPI901 4.2 46.0 0.5
CH2 A:TRP254 4.3 28.4 1.0
O A:LEU213 4.4 22.1 1.0
CA A:LEU213 4.4 20.1 1.0
CE1 A:PHE210 4.6 40.3 1.0
N29 A:YPI901 4.7 44.8 0.5
CE3 A:TRP254 4.7 29.4 1.0
C34 A:YPI901 4.8 43.6 0.5
CA A:PHE210 4.8 24.9 1.0
C34 A:YPI901 4.8 45.6 0.5
C33 A:YPI901 4.9 42.9 0.5
C A:PHE210 4.9 22.8 1.0
CD1 A:LEU213 4.9 22.3 1.0
N29 A:YPI901 5.0 46.4 0.5
CE1 A:TYR214 5.0 24.1 1.0
CG A:LEU213 5.0 20.2 1.0

Reference:

D.Hunziker, S.C.Joachim, C.Ullmer, M.G.Rudolph. Crystal Structure of A Rat Autotaxin Complex To Be Published.
Page generated: Sat Feb 8 17:51:54 2025

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