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Caesium in PDB 8d0o: Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative

Enzymatic activity of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative

All present enzymatic activity of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative:
2.4.1.152;

Protein crystallography data

The structure of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative, PDB code: 8d0o was solved by R.Kadirvelraj, Z.A.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.90 / 2.10
Space group I 21 3
Cell size a, b, c (Å), α, β, γ (°) 127.12, 127.12, 127.12, 90, 90, 90
R / Rfree (%) 16.4 / 20.9

Other elements in 8d0o:

The structure of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative also contains other interesting chemical elements:

Iodine (I) 14 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative (pdb code 8d0o). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 9 binding sites of Caesium where determined in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative, PDB code: 8d0o:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Caesium binding site 1 out of 9 in 8d0o

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Caesium binding site 1 out of 9 in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs415

b:13.6
occ:1.00
 O A:HOH521 3.8 16.2 1.0
O A:HOH554 3.8 21.9 1.0
N A:CYS82 3.8 14.3 1.0
C A:THR80 4.0 16.9 1.0
NE2 A:GLN83 4.0 27.0 1.0
CA A:THR80 4.1 17.9 1.0
CB A:CYS82 4.1 15.9 1.0
O A:CYS91 4.1 17.0 1.0
O A:HOH595 4.1 13.7 1.0
N A:GLN83 4.1 16.7 1.0
O A:THR80 4.2 18.9 1.0
N A:SER81 4.2 17.5 1.0
O A:HOH621 4.3 33.9 1.0
SG A:CYS82 4.3 12.9 1.0
CA A:CYS82 4.4 16.6 1.0
CG A:GLN83 4.4 19.4 1.0
O A:LEU79 4.5 15.8 1.0
CD A:GLN83 4.7 20.9 1.0
C A:SER81 4.7 21.5 1.0
C A:CYS82 4.8 15.7 1.0
CB A:THR80 4.8 22.8 1.0
CB A:CYS91 4.8 18.8 1.0
CB A:GLN83 4.9 19.6 1.0
CA A:SER81 5.0 21.1 1.0
C A:CYS91 5.0 18.7 1.0

Caesium binding site 2 out of 9 in 8d0o

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Caesium binding site 2 out of 9 in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs416

b:38.3
occ:0.30
 O A:HOH657 3.9 33.5 1.0
O A:LYS204 4.1 24.2 1.0
CG A:GLU208 4.3 27.8 1.0
CA A:TYR205 4.4 17.1 1.0
C A:LYS204 4.4 27.3 1.0
CD2 A:TYR205 4.5 20.3 1.0
N A:TYR205 4.5 18.2 1.0
CB A:GLU208 4.8 23.5 1.0
CG A:PRO295 4.9 21.8 1.0
CB A:LYS204 4.9 21.4 1.0
CB A:TYR205 4.9 16.9 1.0

Caesium binding site 3 out of 9 in 8d0o

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Caesium binding site 3 out of 9 in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs417

b:32.6
occ:0.20
 O A:HOH509 3.9 19.0 1.0
O A:ASN293 4.1 21.9 1.0
OE2 A:GLU290 4.2 18.2 0.5
CA A:SER294 4.4 23.6 1.0
C A:ASN293 4.4 20.2 1.0
CD A:PRO295 4.4 20.6 1.0
O A:TYR292 4.5 26.7 1.0
CE2 A:TYR205 4.5 17.7 1.0
N A:SER294 4.6 21.2 1.0
OE1 A:GLU290 4.6 20.9 0.5
CD A:GLU290 4.8 18.2 0.5
C A:SER294 4.9 22.2 1.0

Caesium binding site 4 out of 9 in 8d0o

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Caesium binding site 4 out of 9 in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs418

b:22.7
occ:0.50
 ND2 A:ASN276 3.9 23.3 1.0
ND2 A:ASN279 3.9 15.6 1.0
CA A:ASN276 4.0 17.4 1.0
OD1 A:ASN279 4.0 18.4 1.0
O A:HOH513 4.1 28.5 1.0
CB A:ASN276 4.2 15.0 1.0
N A:ASN276 4.3 17.1 1.0
CG A:ASN279 4.4 18.5 1.0
OE1 A:GLU275 4.4 30.5 1.0
O A:GLU275 4.4 13.9 1.0
O A:HOH575 4.4 23.4 1.0
CG A:ASN276 4.5 21.8 1.0
C A:GLU275 4.5 15.8 1.0
O A:HOH530 4.6 31.0 1.0
CE A:LYS250 4.6 32.3 1.0
NZ A:LYS250 4.6 42.7 1.0
CG A:GLU275 4.7 17.6 1.0

Caesium binding site 5 out of 9 in 8d0o

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Caesium binding site 5 out of 9 in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs419

b:21.4
occ:0.40
 O A:ARG160 3.7 13.7 1.0
O A:SER162 3.8 46.2 1.0
O A:HOH638 4.0 24.8 1.0
O A:ASP161 4.1 22.8 1.0
C A:ASP161 4.2 17.2 1.0
C A:SER162 4.3 28.3 1.0
CA A:ASP161 4.3 12.9 1.0
N A:SER162 4.7 12.8 1.0
C A:ARG160 4.7 18.9 1.0
CA A:ASP163 4.8 15.4 1.0
N A:ASP163 4.8 13.3 1.0

Caesium binding site 6 out of 9 in 8d0o

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Caesium binding site 6 out of 9 in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs420

b:21.7
occ:0.50
 O A:PRO139 4.1 16.6 1.0
C A:PRO139 4.1 22.9 1.0
CB A:PRO139 4.2 15.6 1.0
N A:THR140 4.2 21.1 1.0
CA A:THR140 4.3 19.3 1.0
CD1 A:TRP358 4.3 24.2 1.0
CE1 A:HIS249 4.4 20.0 1.0
OG1 A:THR140 4.4 19.2 1.0
CA A:PRO139 4.8 15.1 1.0
NE2 A:HIS249 4.9 13.6 1.0

Caesium binding site 7 out of 9 in 8d0o

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Caesium binding site 7 out of 9 in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs421

b:23.1
occ:0.40
 OG A:SER332 3.7 14.8 1.0
CE1 A:PHE86 4.1 18.1 1.0
CB A:SER332 4.1 18.7 1.0
CE1 A:PHE170 4.1 34.6 1.0
CZ A:PHE170 4.2 39.6 1.0
CD1 A:LEU336 4.4 10.4 1.0
CD1 A:PHE86 4.4 21.4 1.0
CA A:PRO327 4.6 20.6 1.0
CZ A:PHE86 4.7 14.1 1.0
CB A:PRO327 4.9 17.1 1.0
CA A:SER332 4.9 17.1 1.0

Caesium binding site 8 out of 9 in 8d0o

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Caesium binding site 8 out of 9 in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs422

b:25.0
occ:0.30
 O A:PRO139 3.6 16.6 1.0
O A:THR142 3.7 21.7 1.0
O A:THR140 3.9 18.9 1.0
O A:HOH586 3.9 31.5 1.0
NE1 A:TRP358 4.0 23.3 1.0
I A:IOD408 4.3 32.5 0.3
I A:IOD413 4.3 28.4 0.2
C A:THR142 4.4 19.7 1.0
C A:THR140 4.5 21.5 1.0
CD1 A:TRP358 4.5 24.2 1.0
CA A:PRO143 4.6 27.5 1.0
C A:PRO139 4.8 22.9 1.0
CA A:THR140 4.9 19.3 1.0
N A:PRO143 4.9 23.6 1.0
N A:THR142 4.9 18.1 1.0

Caesium binding site 9 out of 9 in 8d0o

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Caesium binding site 9 out of 9 in the Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Human ALPHA1,3-Fucosyltransferase FUT9, Heavy Atom Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs423

b:37.5
occ:0.30
 OD1 A:ASP306 3.9 19.2 1.0
C A:LYS187 4.1 16.6 1.0
N A:LYS187 4.1 21.3 1.0
C A:GLU186 4.1 26.6 1.0
N A:LEU188 4.2 15.9 1.0
O A:LYS187 4.2 17.2 1.0
O A:GLU186 4.3 27.7 1.0
CE A:LYS239 4.4 23.7 1.0
CA A:LYS187 4.4 23.7 1.0
O A:LYS185 4.4 22.0 1.0
CA A:LEU188 4.5 19.7 1.0
CD A:LYS239 4.6 16.9 1.0
CA A:GLU186 4.6 25.4 1.0
NZ A:LYS239 4.7 21.4 1.0
C A:LYS185 4.7 24.0 1.0
CB A:LEU188 4.8 20.7 1.0
N A:GLU186 4.8 24.2 1.0
CG A:LYS239 4.8 15.1 1.0
CG A:ASP306 4.9 17.9 1.0
CB A:LYS185 4.9 21.2 1.0
O A:HOH673 4.9 26.2 1.0

Reference:

R.Kadirvelraj, Z.A.Wood. Structural Basis For Lewis Antigen Synthesis By the ALPHA1,3-Fucosyltransferase, FUT9 To Be Published.
Page generated: Tue Jul 30 21:22:36 2024

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