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Fluorine in PDB 2znx: 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme

Enzymatic activity of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme

All present enzymatic activity of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme:
3.2.1.17;

Protein crystallography data

The structure of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme, PDB code: 2znx was solved by M.E.Desantis, M.Acchione, M.Li, R.L.Walter, A.Wlodawer, S.Smith-Gill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.30
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 149.240, 149.240, 81.143, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 23.2

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme (pdb code 2znx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme, PDB code: 2znx:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 2znx

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Fluorine binding site 1 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F35

b:28.5
occ:1.00
 F A:FTR35 0.0 28.5 1.0
CZ3 A:FTR35 1.3 24.6 1.0
CE3 A:FTR35 2.4 22.9 1.0
CH2 A:FTR35 2.4 23.4 1.0
NE2 A:GLN6 2.6 26.3 1.0
O A:HOH319 3.1 29.6 1.0
CD2 A:FTR35 3.6 20.4 1.0
CD A:GLN6 3.6 27.2 1.0
CZ2 A:FTR35 3.7 22.8 1.0
O A:TYR86 3.8 25.2 1.0
C A:TYR86 4.0 25.3 1.0
CB A:TYR86 4.0 25.5 1.0
CB A:LEU21 4.0 33.2 1.0
CD1 A:LEU21 4.1 32.8 1.0
CE2 A:FTR35 4.2 22.0 1.0
N A:CYS88 4.2 22.2 1.0
C A:PHE87 4.2 22.5 1.0
N A:PHE87 4.3 24.0 1.0
CG A:GLN6 4.3 28.3 1.0
OE1 A:GLN6 4.5 26.5 1.0
CA A:PHE87 4.5 23.2 1.0
CA A:TYR86 4.6 25.9 1.0
O A:PHE87 4.6 22.3 1.0
CB A:CYS88 4.6 22.6 1.0
CG A:LEU21 4.7 33.4 1.0
CB A:LEU73 4.7 25.7 1.0
CD2 A:LEU73 4.8 24.7 1.0
CA A:CYS88 4.8 22.4 1.0
CG A:FTR35 5.0 19.2 1.0
OG1 A:THR102 5.0 29.1 1.0

Fluorine binding site 2 out of 12 in 2znx

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Fluorine binding site 2 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F94

b:22.4
occ:1.00
 F A:FTR94 0.0 22.4 1.0
CZ3 A:FTR94 1.3 20.5 1.0
CE3 A:FTR94 2.4 19.5 1.0
CH2 A:FTR94 2.4 20.2 1.0
CD2 A:TYR96 2.8 16.6 1.0
CE2 A:TYR96 3.1 16.2 1.0
CD1 A:TYR169 3.1 19.1 1.0
CG A:TYR96 3.2 18.1 1.0
CE1 A:TYR169 3.3 19.0 1.0
CD1 A:TYR172 3.4 13.1 1.0
CE1 A:TYR172 3.6 13.7 1.0
CD2 A:FTR94 3.6 18.7 1.0
CZ2 A:FTR94 3.6 19.7 1.0
CZ A:TYR96 3.7 17.8 1.0
CD1 A:TYR96 3.7 16.2 1.0
CB A:TYR96 3.9 18.4 1.0
CG A:TYR169 3.9 18.7 1.0
CE1 A:TYR96 3.9 16.7 1.0
N A:TYR96 4.1 19.4 1.0
CZ A:TYR169 4.1 18.7 1.0
CE2 A:FTR94 4.1 19.5 1.0
OH A:TYR96 4.5 16.6 1.0
CB A:TYR169 4.6 19.6 1.0
CA A:TYR96 4.6 18.8 1.0
CD2 A:TYR169 4.6 16.8 1.0
CG A:TYR172 4.7 14.0 1.0
CE2 A:TYR169 4.7 17.4 1.0
OH A:TYR169 4.8 18.5 1.0
CZ A:TYR172 4.9 16.1 1.0
CG A:FTR94 5.0 19.5 1.0

Fluorine binding site 3 out of 12 in 2znx

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Fluorine binding site 3 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F156

b:21.4
occ:1.00
 F A:FTR156 0.0 21.4 1.0
CZ3 A:FTR156 1.4 17.5 1.0
CE3 A:FTR156 2.3 16.5 1.0
CH2 A:FTR156 2.4 15.8 1.0
CD1 A:LEU126 3.3 28.0 1.0
CB A:ASN219 3.4 18.7 1.0
CD2 A:LEU126 3.4 27.2 1.0
CD1 A:ILE124 3.4 40.0 1.0
CD2 A:FTR156 3.6 15.0 1.0
CG A:LEU126 3.6 27.6 1.0
CZ2 A:FTR156 3.7 18.2 1.0
N A:ASN219 3.8 18.2 1.0
CA A:ASN219 3.8 18.8 1.0
CE2 A:FTR156 4.2 17.8 1.0
CG2 A:VAL146 4.3 21.3 1.0
C A:ALA218 4.5 18.3 1.0
CG A:ASN219 4.5 20.2 1.0
CB A:TYR224 4.7 26.8 1.0
CG1 A:ILE124 4.8 37.4 1.0
CG1 A:VAL146 4.8 20.7 1.0
O A:ALA218 4.8 18.3 1.0
CG A:FTR156 5.0 17.2 1.0

Fluorine binding site 4 out of 12 in 2znx

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Fluorine binding site 4 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F158

b:20.4
occ:1.00
 F A:FTR158 0.0 20.4 1.0
CZ3 A:FTR158 1.3 17.2 1.0
CE3 A:FTR158 2.4 17.2 1.0
CH2 A:FTR158 2.4 15.9 1.0
CG A:GLU128 3.2 26.1 1.0
CD1 A:LEU142 3.5 19.3 1.0
CD2 A:FTR158 3.6 15.7 1.0
CZ2 A:FTR158 3.6 16.2 1.0
N A:CYS217 3.7 19.5 1.0
CB A:GLU128 3.7 24.9 1.0
C A:TYR216 3.8 19.3 1.0
CB A:CYS217 4.1 20.3 1.0
CB A:LEU142 4.1 18.3 1.0
O A:TYR216 4.1 19.5 1.0
CE2 A:FTR158 4.1 15.6 1.0
N A:TYR216 4.3 18.7 1.0
CB A:TYR215 4.3 18.9 1.0
CA A:CYS217 4.3 20.1 1.0
C A:TYR215 4.3 18.7 1.0
CA A:TYR216 4.3 19.0 1.0
O A:TYR215 4.4 18.6 1.0
CG A:LEU142 4.4 19.7 1.0
SG A:CYS217 4.5 24.2 1.0
CD A:GLU128 4.6 27.5 1.0
CA A:GLU128 4.6 24.9 1.0
O A:THR143 4.7 20.0 1.0
OE1 A:GLU128 4.8 27.5 1.0
CG2 A:THR229 4.9 24.6 1.0
CA A:TYR215 5.0 18.5 1.0
CG A:FTR158 5.0 17.1 1.0

Fluorine binding site 5 out of 12 in 2znx

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Fluorine binding site 5 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F220

b:23.0
occ:1.00
 F A:FTR220 0.0 23.0 1.0
CZ3 A:FTR220 1.3 18.3 1.0
CH2 A:FTR220 2.4 16.4 1.0
CE3 A:FTR220 2.4 17.5 1.0
C7 A:1PG243 3.0 34.8 1.0
O4 A:1PG243 3.1 35.0 1.0
C8 A:1PG243 3.3 36.5 1.0
CB Y:LYS97 3.3 16.7 1.0
CD Y:LYS97 3.4 18.6 1.0
OD1 A:ASP221 3.4 27.9 1.0
O A:HOH248 3.5 11.2 1.0
CG Y:LYS97 3.6 16.6 1.0
CD2 A:FTR220 3.6 17.8 1.0
CZ2 A:FTR220 3.6 16.3 1.0
CA Y:LYS97 3.9 16.4 1.0
CE Y:LYS97 4.1 18.2 1.0
CE2 A:FTR220 4.1 17.9 1.0
C9 A:1PG243 4.2 37.0 1.0
CG A:ASP221 4.2 24.1 1.0
N Y:LYS97 4.4 15.3 1.0
C6 A:1PG243 4.5 34.3 1.0
NZ Y:LYS97 4.7 20.8 1.0
CA A:ASP221 4.7 21.4 1.0
O Y:ASN93 4.7 16.7 1.0
C1 A:1PG243 4.7 28.9 1.0
OD2 A:ASP221 4.8 28.3 1.0
OH A:TYR50 4.9 15.8 1.0
N A:ASP221 4.9 20.2 1.0
CG A:FTR220 5.0 18.3 1.0
CB A:ASP221 5.0 21.9 1.0

Fluorine binding site 6 out of 12 in 2znx

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Fluorine binding site 6 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F225

b:23.9
occ:1.00
 F A:FTR225 0.0 23.9 1.0
CZ3 A:FTR225 1.3 20.0 1.0
CE3 A:FTR225 2.3 19.9 1.0
CH2 A:FTR225 2.4 20.4 1.0
CB A:TYR216 3.2 19.1 1.0
CG A:TYR216 3.4 19.1 1.0
CB A:ILE159 3.4 18.8 1.0
CG2 A:ILE159 3.5 18.3 1.0
CD1 A:TYR216 3.5 19.4 1.0
CD2 A:FTR225 3.6 20.7 1.0
CZ2 A:FTR225 3.6 19.6 1.0
CD1 A:ILE159 3.8 20.1 1.0
CD A:PRO44 3.9 32.8 1.0
CG1 A:ILE159 3.9 18.6 1.0
CG A:PRO44 4.1 32.4 1.0
CE2 A:FTR225 4.1 20.2 1.0
CD2 A:TYR216 4.1 19.1 1.0
CE1 A:TYR216 4.4 19.5 1.0
CA A:TYR216 4.6 19.0 1.0
CA A:ILE159 4.7 18.4 1.0
O A:ILE159 4.8 19.0 1.0
C A:ILE159 4.9 19.1 1.0
CE2 A:TYR216 4.9 20.5 1.0
CB A:ALA218 4.9 18.8 1.0
CG A:FTR225 4.9 22.3 1.0
CB A:PRO44 5.0 31.6 1.0

Fluorine binding site 7 out of 12 in 2znx

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Fluorine binding site 7 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F35

b:27.9
occ:1.00
 F B:FTR35 0.0 27.9 1.0
CZ3 B:FTR35 1.3 23.6 1.0
CE3 B:FTR35 2.3 22.6 1.0
CH2 B:FTR35 2.4 21.6 1.0
NE2 B:GLN6 2.6 24.2 1.0
O B:HOH279 3.3 32.3 1.0
CD2 B:FTR35 3.6 21.5 1.0
CD B:GLN6 3.6 24.7 1.0
CZ2 B:FTR35 3.7 22.0 1.0
O B:TYR86 3.8 24.1 1.0
CB B:TYR86 3.9 24.7 1.0
CD1 B:LEU21 3.9 31.3 1.0
C B:TYR86 4.0 24.1 1.0
CB B:LEU21 4.1 32.1 1.0
CE2 B:FTR35 4.1 20.9 1.0
N B:CYS88 4.1 21.6 1.0
C B:PHE87 4.2 21.8 1.0
N B:PHE87 4.3 23.0 1.0
CG B:GLN6 4.3 25.6 1.0
OE1 B:GLN6 4.4 23.6 1.0
CA B:PHE87 4.5 22.6 1.0
O B:PHE87 4.6 21.6 1.0
CG B:LEU21 4.6 32.5 1.0
CA B:TYR86 4.6 25.0 1.0
CB B:CYS88 4.6 22.3 1.0
OG1 B:THR102 4.7 29.2 1.0
CB B:LEU73 4.7 24.5 1.0
CA B:CYS88 4.8 21.9 1.0
CD2 B:LEU73 4.9 23.8 1.0
CB B:THR102 4.9 29.9 1.0
CG B:FTR35 5.0 19.5 1.0
O B:SER22 5.0 30.3 1.0

Fluorine binding site 8 out of 12 in 2znx

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Fluorine binding site 8 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F94

b:25.2
occ:1.00
 F B:FTR94 0.0 25.2 1.0
CZ3 B:FTR94 1.3 21.4 1.0
CE3 B:FTR94 2.3 20.1 1.0
CH2 B:FTR94 2.4 21.5 1.0
CD2 B:TYR96 2.8 16.1 1.0
CE2 B:TYR96 3.1 18.2 1.0
CG B:TYR96 3.2 17.9 1.0
CD1 B:TYR169 3.3 17.1 1.0
CE1 B:TYR169 3.4 17.7 1.0
CD1 B:TYR172 3.4 13.7 1.0
CD2 B:FTR94 3.6 18.9 1.0
CE1 B:TYR172 3.6 13.5 1.0
CZ2 B:FTR94 3.7 21.1 1.0
CZ B:TYR96 3.7 18.1 1.0
CD1 B:TYR96 3.7 16.7 1.0
CB B:TYR96 3.8 17.7 1.0
CE1 B:TYR96 4.0 18.1 1.0
N B:TYR96 4.0 18.5 1.0
CG B:TYR169 4.0 17.4 1.0
CZ B:TYR169 4.1 18.0 1.0
CE2 B:FTR94 4.1 19.7 1.0
CA B:TYR96 4.6 18.4 1.0
OH B:TYR96 4.6 16.6 1.0
CD2 B:TYR169 4.6 16.2 1.0
CE2 B:TYR169 4.7 17.0 1.0
CG B:TYR172 4.7 14.1 1.0
CB B:TYR169 4.7 18.4 1.0
OH B:TYR169 4.8 19.2 1.0
CA B:GLY171 4.9 15.0 1.0
CG B:FTR94 4.9 19.3 1.0

Fluorine binding site 9 out of 12 in 2znx

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Fluorine binding site 9 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F156

b:21.4
occ:1.00
 F B:FTR156 0.0 21.4 1.0
CZ3 B:FTR156 1.3 18.1 1.0
CE3 B:FTR156 2.3 17.4 1.0
CH2 B:FTR156 2.4 17.7 1.0
CD1 B:ILE124 3.1 40.6 1.0
CB B:ASN219 3.3 18.4 1.0
CD1 B:LEU126 3.5 28.2 1.0
CD2 B:FTR156 3.6 16.9 1.0
CZ2 B:FTR156 3.7 17.5 1.0
CD2 B:LEU126 3.8 27.6 1.0
CA B:ASN219 3.9 17.8 1.0
N B:ASN219 4.0 18.1 1.0
CG B:LEU126 4.0 27.6 1.0
CE2 B:FTR156 4.2 17.8 1.0
CG1 B:VAL146 4.3 21.4 1.0
CG B:ASN219 4.3 19.5 1.0
CG1 B:ILE124 4.4 37.7 1.0
CG2 B:VAL146 4.5 22.3 1.0
C B:ALA218 4.6 18.1 1.0
OD1 B:ASN219 4.8 23.5 1.0
O B:ALA218 4.9 18.5 1.0
CG B:FTR156 5.0 17.5 1.0
CB B:TYR224 5.0 26.4 1.0

Fluorine binding site 10 out of 12 in 2znx

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Fluorine binding site 10 out of 12 in the 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of 5-Fluorotryptophan Incorporated SCFV10 Complexed to Hen Egg Lysozyme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F158

b:20.5
occ:1.00
 F B:FTR158 0.0 20.5 1.0
CZ3 B:FTR158 1.3 17.4 1.0
CE3 B:FTR158 2.3 16.9 1.0
CH2 B:FTR158 2.4 16.4 1.0
CG B:GLU128 3.2 25.1 1.0
CB B:GLU128 3.6 23.7 1.0
CD2 B:FTR158 3.6 14.9 1.0
CZ2 B:FTR158 3.7 16.3 1.0
CD1 B:LEU142 3.7 17.9 1.0
N B:CYS217 3.8 18.5 1.0
C B:TYR216 3.9 18.4 1.0
CB B:LEU142 4.1 18.0 1.0
CB B:CYS217 4.1 19.6 1.0
CE2 B:FTR158 4.1 15.2 1.0
O B:TYR215 4.2 18.3 1.0
C B:TYR215 4.2 18.3 1.0
CB B:TYR215 4.2 16.9 1.0
O B:TYR216 4.2 17.8 1.0
N B:TYR216 4.3 18.0 1.0
CA B:CYS217 4.4 19.6 1.0
CA B:TYR216 4.4 18.3 1.0
CA B:GLU128 4.5 23.8 1.0
CG B:LEU142 4.5 18.4 1.0
CD B:GLU128 4.6 27.7 1.0
SG B:CYS217 4.7 25.4 1.0
CA B:TYR215 4.8 17.7 1.0
OE1 B:GLU128 4.9 29.1 1.0
CG2 B:THR229 4.9 24.8 1.0
CG B:FTR158 4.9 15.2 1.0
O B:THR143 4.9 20.2 1.0

Reference:

M.Acchione, Y.C.Lee, M.E.Desantis, C.A.Lipschultz, A.Wlodawer, M.Li, A.Shanmuganathan, R.L.Walter, S.Smith-Gill, J.J.Barchi. Specific Fluorine Labeling of the HYHEL10 Antibody Affects Antigen Binding and Dynamics Biochemistry V. 51 6017 2012.
ISSN: ISSN 0006-2960
PubMed: 22769726
DOI: 10.1021/BI300455T
Page generated: Wed Jul 31 17:01:52 2024

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