Tungsten in PDB 9oj3: Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex

The structure of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex, PDB code: 9oj3 was solved by C.Y.Ralston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.61 / 1.43
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.338, 67.49, 70.072, 90, 90, 90
R / Rfree (%)	13.4 / 14.9

The structure of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex also contains other interesting chemical elements:

Tellurium

(Te)

2 atoms

Pages:

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

Binding sites:

The binding sites of Tungsten atom in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex (pdb code 9oj3). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 12 binding sites of Tungsten where determined in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex, PDB code: 9oj3:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:W201 b:30.3 occ:0.79 W1 B:TEW201 0.0 30.3 0.8 O5 B:TEW201 1.7 28.6 0.8 O6 B:TEW201 1.7 30.3 0.8 O4 B:TEW201 1.9 28.8 0.8 O3 B:TEW201 2.0 27.3 0.8 O1 B:TEW201 2.2 26.1 0.8 O2 B:TEW201 2.2 25.5 0.8 TE1 B:TEW201 3.3 23.2 0.8 W2 B:TEW201 3.3 25.3 0.8 W3 B:TEW201 3.3 25.9 0.8 O8 B:TEW201 3.7 27.1 0.8 O15 B:TEW201 3.7 25.3 0.8 O7 B:TEW201 3.8 23.3 0.8 O13 B:TEW201 3.8 21.6 0.8 O B:HOH306 4.0 27.6 1.0 O9 B:TEW201 4.5 27.7 0.8 O16 B:TEW201 4.5 28.2 0.8 O10 B:TEW201 4.8 20.7 0.8 O14 B:TEW201 4.8 22.5 0.8 O11 B:TEW201 4.8 19.6 0.8 O12 B:TEW201 5.0 22.8 0.8

Tungsten binding site 2 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:W201 b:25.3 occ:0.79 W2 B:TEW201 0.0 25.3 0.8 O9 B:TEW201 1.7 27.7 0.8 O8 B:TEW201 1.7 27.1 0.8 O3 B:TEW201 1.9 27.3 0.8 O10 B:TEW201 1.9 20.7 0.8 O7 B:TEW201 2.2 23.3 0.8 O1 B:TEW201 2.3 26.1 0.8 W4 B:TEW201 3.3 20.6 0.8 TE1 B:TEW201 3.3 23.2 0.8 W1 B:TEW201 3.3 30.3 0.8 O19 B:TEW201 3.6 22.3 0.8 O B:HOH303 3.7 38.9 1.0 O2 B:TEW201 3.8 25.5 0.8 O12 B:TEW201 3.8 22.8 0.8 O6 B:TEW201 3.9 30.3 0.8 O5 B:TEW201 4.5 28.6 0.8 O18 B:TEW201 4.5 20.6 0.8 O17 B:TEW201 4.8 17.5 0.8 O11 B:TEW201 4.8 19.6 0.8 O4 B:TEW201 4.8 28.8 0.8 HD1 C:HIS62 4.9 25.8 1.0 O13 B:TEW201 5.0 21.6 0.8

Tungsten binding site 3 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:W201 b:25.9 occ:0.79 W3 B:TEW201 0.0 25.9 0.8 O15 B:TEW201 1.7 25.3 0.8 O16 B:TEW201 1.7 28.2 0.8 O14 B:TEW201 1.9 22.5 0.8 O4 B:TEW201 2.0 28.8 0.8 O2 B:TEW201 2.2 25.5 0.8 O13 B:TEW201 2.3 21.6 0.8 W6 B:TEW201 3.3 18.7 0.8 TE1 B:TEW201 3.3 23.2 0.8 W1 B:TEW201 3.3 30.3 0.8 HZ1 A:LYS28 3.5 36.8 1.0 O5 B:TEW201 3.6 28.6 0.8 O11 B:TEW201 3.7 19.6 0.8 O31 B:TEW201 3.8 19.0 0.8 N B:ARG108 3.8 24.2 1.0 O1 B:TEW201 3.9 26.1 0.8 O B:HOH306 4.1 27.6 1.0 HG21 B:VAL110 4.1 25.5 1.0 HG23 B:VAL110 4.2 25.5 1.0 NZ A:LYS28 4.3 30.7 1.0 HZ3 A:LYS28 4.4 36.8 1.0 HE1 A:HIS26 4.4 28.4 1.0 O23 B:TEW201 4.5 21.5 0.8 CG2 B:VAL110 4.6 21.2 1.0 O6 B:TEW201 4.6 30.3 0.8 HE3 A:LYS28 4.7 35.7 1.0 O20 B:TEW201 4.8 18.1 0.8 HA B:ARG108 4.8 30.2 1.0 O3 B:TEW201 4.8 27.3 0.8 O7 B:TEW201 4.8 23.3 0.8 HZ2 A:LYS28 4.9 36.8 1.0 CA B:ARG108 4.9 25.2 1.0

Tungsten binding site 4 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:W201 b:20.6 occ:0.79 W4 B:TEW201 0.0 20.6 0.8 O19 B:TEW201 1.7 22.3 0.8 O18 B:TEW201 1.7 20.6 0.8 O10 B:TEW201 1.9 20.7 0.8 O17 B:TEW201 2.0 17.5 0.8 O7 B:TEW201 2.3 23.3 0.8 O12 B:TEW201 2.3 22.8 0.8 HG12 C:VAL63 3.2 36.8 1.0 W2 B:TEW201 3.3 25.3 0.8 W5 B:TEW201 3.3 18.2 0.8 TE1 B:TEW201 3.4 23.2 0.8 HD1 C:HIS62 3.6 25.8 1.0 O21 B:TEW201 3.8 20.8 0.8 HB3 C:HIS62 3.8 19.6 1.0 O9 B:TEW201 3.8 27.7 0.8 O11 B:TEW201 3.8 19.6 0.8 CG1 C:VAL63 4.0 30.6 1.0 O1 B:TEW201 4.0 26.1 0.8 HG11 C:VAL63 4.0 36.8 1.0 O C:HOH308 4.1 42.1 1.0 ND1 C:HIS62 4.3 21.5 1.0 HG13 C:VAL63 4.3 36.8 1.0 H C:VAL63 4.5 21.0 1.0 O22 B:TEW201 4.6 22.4 0.8 O8 B:TEW201 4.6 27.1 0.8 CB C:HIS62 4.7 16.3 1.0 O3 B:TEW201 4.7 27.3 0.8 O20 B:TEW201 4.8 18.1 0.8 O2 B:TEW201 4.9 25.5 0.8 CG C:HIS62 4.9 19.5 1.0

Tungsten binding site 5 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:W201 b:18.2 occ:0.79 W5 B:TEW201 0.0 18.2 0.8 O21 B:TEW201 1.7 20.8 0.8 O22 B:TEW201 1.8 22.4 0.8 O17 B:TEW201 1.9 17.5 0.8 O20 B:TEW201 2.0 18.1 0.8 O11 B:TEW201 2.2 19.6 0.8 O12 B:TEW201 2.3 22.8 0.8 W6 B:TEW201 3.3 18.7 0.8 TE1 B:TEW201 3.3 23.2 0.8 W4 B:TEW201 3.3 20.6 0.8 HD1 C:HIS62 3.4 25.8 1.0 H C:VAL63 3.5 21.0 1.0 O23 B:TEW201 3.6 21.5 0.8 HE1 B:HIS112 3.6 28.7 1.0 HG12 C:VAL63 3.7 36.8 1.0 O7 B:TEW201 3.8 23.3 0.8 O18 B:TEW201 3.9 20.6 0.8 O13 B:TEW201 3.9 21.6 0.8 HE2 B:HIS112 3.9 27.2 1.0 HB3 C:HIS62 4.0 19.6 1.0 HA C:HIS62 4.1 19.2 1.0 HG3 C:GLU38 4.1 23.5 1.0 ND1 C:HIS62 4.2 21.5 1.0 HB C:VAL63 4.2 28.9 1.0 O B:HOH305 4.2 19.3 1.0 CE1 B:HIS112 4.3 23.9 1.0 N C:VAL63 4.4 17.5 1.0 NE2 B:HIS112 4.4 22.7 1.0 CG1 C:VAL63 4.5 30.6 1.0 HG11 C:VAL63 4.5 36.8 1.0 HZ2 A:LYS28 4.5 36.8 1.0 O31 B:TEW201 4.5 19.0 0.8 O19 B:TEW201 4.6 22.3 0.8 CB C:HIS62 4.7 16.3 1.0 O10 B:TEW201 4.7 20.7 0.8 O14 B:TEW201 4.7 22.5 0.8 CA C:HIS62 4.7 16.0 1.0 HZ1 A:LYS28 4.8 36.8 1.0 CB C:VAL63 4.8 24.1 1.0 O2 B:TEW201 4.8 25.5 0.8 CG C:HIS62 4.9 19.5 1.0 CG C:GLU38 5.0 19.6 1.0

Tungsten binding site 6 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:W201 b:18.7 occ:0.79 W6 B:TEW201 0.0 18.7 0.8 O31 B:TEW201 1.7 19.0 0.8 O23 B:TEW201 1.8 21.5 0.8 O20 B:TEW201 1.9 18.1 0.8 O14 B:TEW201 1.9 22.5 0.8 O13 B:TEW201 2.2 21.6 0.8 O11 B:TEW201 2.3 19.6 0.8 HZ1 A:LYS28 3.0 36.8 1.0 HB B:VAL110 3.2 20.8 1.0 W3 B:TEW201 3.3 25.9 0.8 TE1 B:TEW201 3.3 23.2 0.8 W5 B:TEW201 3.3 18.2 0.8 HE2 B:HIS112 3.4 27.2 1.0 H B:VAL110 3.7 24.1 1.0 HG23 B:VAL110 3.7 25.5 1.0 HA B:ARG108 3.7 30.2 1.0 O22 B:TEW201 3.7 22.4 0.8 HZ2 A:LYS28 3.7 36.8 1.0 O16 B:TEW201 3.7 28.2 0.8 NZ A:LYS28 3.7 30.7 1.0 O2 B:TEW201 3.8 25.5 0.8 O B:HOH305 3.8 19.3 1.0 O12 B:TEW201 3.8 22.8 0.8 HG21 B:VAL110 4.0 25.5 1.0 CB B:VAL110 4.1 17.3 1.0 CG2 B:VAL110 4.1 21.2 1.0 NE2 B:HIS112 4.2 22.7 1.0 N B:ARG108 4.2 24.2 1.0 HD2 A:LYS28 4.3 31.4 1.0 HZ3 A:LYS28 4.3 36.8 1.0 HE3 A:LYS28 4.3 35.7 1.0 CA B:ARG108 4.3 25.2 1.0 H B:GLY109 4.4 26.1 1.0 O15 B:TEW201 4.4 25.3 0.8 N B:VAL110 4.5 20.1 1.0 O21 B:TEW201 4.5 20.8 0.8 CE A:LYS28 4.5 29.7 1.0 HD1 C:HIS62 4.6 25.8 1.0 N B:GLY109 4.7 21.7 1.0 O4 B:TEW201 4.7 28.8 0.8 C B:ARG108 4.8 25.1 1.0 O17 B:TEW201 4.8 17.5 0.8 O7 B:TEW201 4.9 23.3 0.8 CA B:VAL110 4.9 18.5 1.0 O B:HOH307 4.9 18.5 1.0 CD A:LYS28 4.9 26.2 1.0 HE1 B:HIS112 4.9 28.7 1.0 O1 B:TEW201 4.9 26.1 0.8

Tungsten binding site 7 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:W201 b:20.0 occ:0.75 W1 D:TEW201 0.0 20.0 0.8 O6 D:TEW201 1.7 20.4 0.8 O5 D:TEW201 1.7 21.5 0.8 O3 D:TEW201 2.0 21.4 0.8 O4 D:TEW201 2.0 16.6 0.8 O1 D:TEW201 2.2 23.0 0.8 O2 D:TEW201 2.2 20.8 0.8 HZ1 C:LYS28 3.0 37.3 1.0 HB D:VAL110 3.2 23.4 1.0 TE1 D:TEW201 3.3 23.5 0.8 W2 D:TEW201 3.3 23.2 0.8 W3 D:TEW201 3.3 20.6 0.8 HE2 D:HIS112 3.5 30.6 1.0 HG23 D:VAL110 3.6 24.2 1.0 H D:VAL110 3.6 26.1 1.0 O15 D:TEW201 3.7 25.1 0.8 O7 D:TEW201 3.7 25.3 0.8 O8 D:TEW201 3.8 24.8 0.8 NZ C:LYS28 3.8 31.1 1.0 O D:HOH303 3.8 26.5 1.0 HZ2 C:LYS28 3.8 37.3 1.0 HG21 D:VAL110 3.9 24.2 1.0 O13 D:TEW201 3.9 22.4 0.8 HA D:ARG108 4.0 39.4 1.0 CB D:VAL110 4.0 19.5 1.0 CG2 D:VAL110 4.0 20.2 1.0 HD2 C:LYS28 4.1 28.5 1.0 HE3 C:LYS28 4.1 34.5 1.0 N D:ARG108 4.3 29.0 1.0 O D:HOH305 4.4 22.1 1.0 CE C:LYS28 4.4 28.8 1.0 H D:GLY109 4.4 31.3 1.0 NE2 D:HIS112 4.4 25.5 1.0 HZ3 C:LYS28 4.4 37.3 1.0 N D:VAL110 4.5 21.8 1.0 CA D:ARG108 4.5 32.8 1.0 O9 D:TEW201 4.5 23.8 0.8 O16 D:TEW201 4.6 21.0 0.8 CD C:LYS28 4.7 23.8 1.0 N D:GLY109 4.7 26.1 1.0 O11 D:TEW201 4.8 25.0 0.8 O10 D:TEW201 4.8 24.3 0.8 C D:ARG108 4.8 29.3 1.0 O14 D:TEW201 4.8 22.5 0.8 HD1 A:HIS62 4.8 24.6 1.0 CA D:VAL110 4.9 20.0 1.0 HG11 D:VAL110 4.9 24.4 1.0 HG22 D:VAL110 5.0 24.2 1.0 O12 D:TEW201 5.0 26.2 0.8

Tungsten binding site 8 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:W201 b:23.2 occ:0.75 W2 D:TEW201 0.0 23.2 0.8 O9 D:TEW201 1.7 23.8 0.8 O8 D:TEW201 1.7 24.8 0.8 O3 D:TEW201 1.9 21.4 0.8 O10 D:TEW201 2.0 24.3 0.8 O7 D:TEW201 2.2 25.3 0.8 O1 D:TEW201 2.3 23.0 0.8 W1 D:TEW201 3.3 20.0 0.8 TE1 D:TEW201 3.3 23.5 0.8 W4 D:TEW201 3.3 28.3 0.8 HZ1 C:LYS28 3.4 37.3 1.0 O19 D:TEW201 3.5 27.2 0.8 HE1 C:HIS26 3.6 26.7 1.0 HG21 D:VAL110 3.7 24.2 1.0 O2 D:TEW201 3.7 20.8 0.8 O6 D:TEW201 3.7 20.4 0.8 O12 D:TEW201 3.9 26.2 0.8 HG23 D:VAL110 3.9 24.2 1.0 N D:ARG108 4.0 29.0 1.0 O D:HOH301 4.1 33.1 1.0 HE3 C:LYS28 4.1 34.5 1.0 NZ C:LYS28 4.1 31.1 1.0 HZ3 C:LYS28 4.3 37.3 1.0 CG2 D:VAL110 4.3 20.2 1.0 O C:HOH312 4.3 35.5 1.0 CE1 C:HIS26 4.4 22.2 1.0 O5 D:TEW201 4.5 21.5 0.8 O18 D:TEW201 4.6 29.4 0.8 CE C:LYS28 4.7 28.8 1.0 O11 D:TEW201 4.7 25.0 0.8 O17 D:TEW201 4.8 26.4 0.8 HZ2 C:LYS28 4.8 37.3 1.0 ND1 C:HIS26 4.9 22.1 1.0 O4 D:TEW201 4.9 16.6 0.8 HB D:VAL110 4.9 23.4 1.0 HG22 D:VAL110 4.9 24.2 1.0

Tungsten binding site 9 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:W201 b:20.6 occ:0.75 W3 D:TEW201 0.0 20.6 0.8 O16 D:TEW201 1.7 21.0 0.8 O15 D:TEW201 1.7 25.1 0.8 O14 D:TEW201 1.9 22.5 0.8 O4 D:TEW201 2.0 16.6 0.8 O2 D:TEW201 2.2 20.8 0.8 O13 D:TEW201 2.3 22.4 0.8 TE1 D:TEW201 3.3 23.5 0.8 W1 D:TEW201 3.3 20.0 0.8 W6 D:TEW201 3.3 25.2 0.8 HD1 A:HIS62 3.3 24.6 1.0 H A:VAL63 3.5 22.1 1.0 O5 D:TEW201 3.6 21.5 0.8 O11 D:TEW201 3.7 25.0 0.8 HG3 A:GLU38 3.9 33.9 1.0 HG12 A:VAL63 3.9 30.5 1.0 O31 D:TEW201 3.9 24.8 0.8 O1 D:TEW201 3.9 23.0 0.8 HA A:HIS62 4.0 21.5 1.0 HB A:VAL63 4.1 26.0 1.0 ND1 A:HIS62 4.2 20.5 1.0 O D:HOH303 4.3 26.5 1.0 HE2 D:HIS112 4.3 30.6 1.0 N A:VAL63 4.4 18.4 1.0 HB3 A:HIS62 4.4 22.6 1.0 HG11 A:VAL63 4.4 30.5 1.0 HZ2 C:LYS28 4.5 37.3 1.0 O23 D:TEW201 4.5 27.0 0.8 HZ1 C:LYS28 4.5 37.3 1.0 CG1 A:VAL63 4.5 25.4 1.0 O6 D:TEW201 4.6 20.4 0.8 CG A:GLU38 4.7 28.3 1.0 CB A:VAL63 4.7 21.7 1.0 O20 D:TEW201 4.8 27.4 0.8 O3 D:TEW201 4.8 21.4 0.8 CA A:HIS62 4.8 17.9 1.0 O7 D:TEW201 4.8 25.3 0.8 HG2 A:GLU38 4.8 33.9 1.0 HE1 D:HIS112 4.8 29.8 1.0 CB A:HIS62 4.9 18.9 1.0 NZ C:LYS28 4.9 31.1 1.0 NE2 D:HIS112 5.0 25.5 1.0

Tungsten binding site 10 out of 12 in the Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Crystal Structure of the SPYTAG003-SPYCATCHER003 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:W201 b:28.3 occ:0.75 W4 D:TEW201 0.0 28.3 0.8 O18 D:TEW201 1.7 29.4 0.8 O19 D:TEW201 1.7 27.2 0.8 O17 D:TEW201 1.9 26.4 0.8 O10 D:TEW201 1.9 24.3 0.8 O12 D:TEW201 2.3 26.2 0.8 O7 D:TEW201 2.3 25.3 0.8 W5 D:TEW201 3.3 28.4 0.8 W2 D:TEW201 3.3 23.2 0.8 TE1 D:TEW201 3.3 23.5 0.8 O11 D:TEW201 3.7 25.0 0.8 O9 D:TEW201 3.7 23.8 0.8 O21 D:TEW201 3.8 28.5 0.8 O1 D:TEW201 3.9 23.0 0.8 O D:HOH306 4.2 49.7 1.0 O D:HOH301 4.2 33.1 1.0 O22 D:TEW201 4.5 29.1 0.8 O8 D:TEW201 4.6 24.8 0.8 O20 D:TEW201 4.7 27.4 0.8 O2 D:TEW201 4.8 20.8 0.8 O3 D:TEW201 4.8 21.4 0.8

C.Y.Ralston, S.Gupta, J.T.Del Mundo, A.C.Soe, B.Russell, B.Rad, J.Tyler, S.Paul, D.N.Kahan, L.G.Kristensen, S.Subramanian, S.Kidd, K.Burnett, B.Sankaran, S.Classen, D.Progozhin, J.R.Taylor, J.M.Dickert, K.B.Royal, A.Rozales, S.L.Ortega, M.Allaire, J.C.Nix, G.L.Hura, J.M.Holton, M.Hammel, P.D.Adam. Als-Enable: Creating Synergy and Opportunity at the Advanced Light Source Synchrotron Structural Biology Beamlines J.Synchrotron Radiat. 2025.
ISSN: ESSN 1600-5775
DOI: 10.1107/S1600577525004205