Potassium in PDB 3i6t: Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp.

The structure of Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp., PDB code: 3i6t was solved by J.B.Bonanno, J.Freeman, K.T.Bain, J.Do, R.Romero, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structural Genomics(Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	134.196, 134.196, 89.740, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.5

The structure of Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp. also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Potassium atom in the Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp. (pdb code 3i6t). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp., PDB code: 3i6t:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:K380 b:16.6 occ:1.00 O A:VAL240 2.6 18.9 1.0 OD2 A:ASP264 2.8 8.8 1.0 O A:ARG237 2.8 12.7 1.0 O A:VAL242 2.9 12.5 1.0 O A:HOH438 2.9 19.1 1.0 O A:HOH385 3.0 21.2 1.0 O A:HOH1705 3.2 20.4 1.0 C A:ARG237 3.7 14.4 1.0 CG A:ASP264 3.7 11.8 1.0 C A:VAL240 3.7 21.0 1.0 C A:VAL242 3.8 13.9 1.0 O A:HOH1727 3.9 27.7 1.0 O A:ASP241 4.0 18.9 1.0 CA A:ARG237 4.0 13.0 1.0 OD1 A:ASP264 4.1 9.5 1.0 N A:LEU244 4.1 12.2 1.0 C A:ASP241 4.1 19.4 1.0 CA A:PRO243 4.2 12.3 1.0 CG A:ARG237 4.2 13.2 1.0 N A:PRO243 4.4 13.0 1.0 C A:PRO243 4.5 11.3 1.0 N A:VAL242 4.5 16.7 1.0 CA A:ASP241 4.5 21.7 1.0 N A:ASP241 4.6 20.3 1.0 CA A:VAL240 4.7 22.0 1.0 CB A:LEU244 4.7 11.5 1.0 O A:ILE236 4.7 13.3 1.0 CB A:ARG237 4.7 12.9 1.0 N A:VAL240 4.7 21.7 1.0 CB A:VAL240 4.8 23.1 1.0 CA A:VAL242 4.9 14.6 1.0 N A:ASP238 5.0 15.6 1.0

Potassium binding site 2 out of 4 in the Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp. within 5.0Å range: probe atom residue distance (Å) B Occ B:K380 b:16.4 occ:1.00 O B:VAL240 2.6 20.3 1.0 OD2 B:ASP264 2.8 10.8 1.0 O B:HOH491 2.8 24.1 1.0 O B:VAL242 2.8 14.2 1.0 O B:ARG237 2.8 13.4 1.0 O B:HOH400 3.0 20.1 1.0 O B:HOH416 3.2 20.2 1.0 CG B:ASP264 3.7 11.6 1.0 O B:HOH710 3.7 37.2 1.0 C B:VAL240 3.8 22.3 1.0 C B:VAL242 3.8 14.4 1.0 C B:ARG237 3.8 14.9 1.0 O B:ASP241 3.9 22.2 1.0 OD1 B:ASP264 4.0 9.7 1.0 C B:ASP241 4.0 21.2 1.0 CA B:ARG237 4.1 13.3 1.0 CA B:PRO243 4.2 12.7 1.0 N B:LEU244 4.2 12.0 1.0 CG B:ARG237 4.3 13.5 1.0 N B:PRO243 4.3 13.0 1.0 N B:VAL242 4.4 17.5 1.0 C B:PRO243 4.5 11.9 1.0 CA B:ASP241 4.5 22.2 1.0 N B:ASP241 4.6 21.6 1.0 CA B:VAL240 4.7 23.3 1.0 O B:ILE236 4.7 12.9 1.0 CA B:VAL242 4.8 16.6 1.0 CB B:LEU244 4.8 11.4 1.0 CB B:ARG237 4.8 13.2 1.0 N B:VAL240 4.9 23.3 1.0 CB B:VAL240 4.9 24.2 1.0

Potassium binding site 3 out of 4 in the Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp. within 5.0Å range: probe atom residue distance (Å) B Occ C:K380 b:22.3 occ:1.00 O C:VAL240 2.6 29.6 1.0 OD2 C:ASP264 2.8 17.7 1.0 O C:HOH464 2.8 32.9 1.0 O C:ARG237 2.8 19.5 1.0 O C:VAL242 2.9 23.3 1.0 O C:HOH1680 2.9 23.7 1.0 O C:HOH392 3.1 28.8 1.0 CG C:ASP264 3.7 17.1 1.0 C C:VAL242 3.7 23.2 1.0 C C:VAL240 3.8 30.4 1.0 C C:ARG237 3.8 20.2 1.0 O C:ASP241 4.0 29.6 1.0 OD1 C:ASP264 4.0 18.1 1.0 N C:LEU244 4.1 16.5 1.0 C C:ASP241 4.1 29.2 1.0 CA C:PRO243 4.1 19.6 1.0 CA C:ARG237 4.1 19.2 1.0 N C:PRO243 4.2 21.3 1.0 CG C:ARG237 4.3 17.4 1.0 C C:PRO243 4.4 18.7 1.0 N C:VAL242 4.4 26.8 1.0 CA C:ASP241 4.5 31.1 1.0 N C:ASP241 4.6 30.4 1.0 CB C:LEU244 4.6 16.7 1.0 CA C:VAL240 4.7 30.0 1.0 CA C:VAL242 4.7 25.4 1.0 O C:ILE236 4.7 19.8 1.0 CB C:VAL240 4.8 30.8 1.0 CB C:ARG237 4.8 17.9 1.0 N C:VAL240 4.8 29.0 1.0 CA C:LEU244 5.0 16.6 1.0

Potassium binding site 4 out of 4 in the Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp. within 5.0Å range: probe atom residue distance (Å) B Occ D:K380 b:20.7 occ:1.00 O D:VAL240 2.6 25.5 1.0 OD2 D:ASP264 2.7 15.9 1.0 O D:ARG237 2.8 18.0 1.0 O D:VAL242 2.8 21.2 1.0 O D:HOH455 2.9 23.1 1.0 O D:HOH1740 2.9 20.8 1.0 O D:HOH499 3.0 27.2 1.0 CG D:ASP264 3.7 17.1 1.0 C D:VAL242 3.7 21.5 1.0 C D:VAL240 3.8 27.2 1.0 C D:ARG237 3.8 19.1 1.0 O D:ASP241 4.0 27.0 1.0 OD1 D:ASP264 4.0 17.7 1.0 N D:LEU244 4.1 17.7 1.0 C D:ASP241 4.1 26.9 1.0 CA D:ARG237 4.1 18.0 1.0 CA D:PRO243 4.1 19.6 1.0 CG D:ARG237 4.3 18.2 1.0 N D:PRO243 4.3 20.6 1.0 C D:PRO243 4.4 19.4 1.0 N D:VAL242 4.5 24.0 1.0 CA D:ASP241 4.5 28.8 1.0 N D:ASP241 4.6 27.5 1.0 CB D:LEU244 4.7 17.3 1.0 O D:ILE236 4.7 18.6 1.0 CA D:VAL242 4.8 23.5 1.0 CA D:VAL240 4.8 26.5 1.0 CB D:ARG237 4.8 17.3 1.0 N D:VAL240 4.9 26.3 1.0 CB D:VAL240 4.9 27.3 1.0 CB D:ASP264 5.0 17.3 1.0

J.B.Bonanno, J.Freeman, K.T.Bain, J.Do, R.Romero, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Muconate Cycloisomerase From Jannaschia Sp. To Be Published.