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Potassium in PDB 5a4j: Crystal Structure of FTHFS1 From T.Acetoxydans RE1

Enzymatic activity of Crystal Structure of FTHFS1 From T.Acetoxydans RE1

All present enzymatic activity of Crystal Structure of FTHFS1 From T.Acetoxydans RE1:
6.3.4.3;

Protein crystallography data

The structure of Crystal Structure of FTHFS1 From T.Acetoxydans RE1, PDB code: 5a4j was solved by R.Bergdahl, F.Jacobson, B.Muller, N.Mikkelsen, A.Schurer, M.Sandgren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.62 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 90.038, 100.980, 258.050, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 22

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1 (pdb code 5a4j). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1, PDB code: 5a4j:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 5a4j

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Potassium binding site 1 out of 8 in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1


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 FTHFS1 From T.Acetoxydans RE1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1567

b:14.4
occ:1.00
 O A:HOH2092 2.6 22.9 1.0
O A:PRO98 2.7 16.6 1.0
O A:LEU126 2.8 16.6 1.0
O A:ILE124 2.8 16.3 1.0
OE2 A:GLU97 3.0 16.4 1.0
O A:HOH2111 3.3 17.6 1.0
CG A:GLU97 3.8 15.7 1.0
CD A:GLU97 3.8 15.8 1.0
C A:LEU126 3.9 17.4 1.0
C A:PRO98 3.9 16.7 1.0
C A:ILE124 3.9 17.5 1.0
C A:ASN125 4.1 18.3 1.0
N A:LEU126 4.2 18.4 1.0
CA A:ASN125 4.3 18.2 1.0
N A:LEU100 4.4 17.2 1.0
O A:ASN125 4.4 18.2 1.0
C A:SER99 4.4 17.2 1.0
O A:HOH2091 4.5 16.1 1.0
CG A:PRO98 4.5 16.3 1.0
CA A:LEU126 4.5 18.2 1.0
CD A:PRO98 4.5 16.1 1.0
N A:ASN125 4.6 17.4 1.0
CA A:LEU100 4.6 17.1 1.0
CB A:PHE128 4.6 16.0 1.0
O A:SER99 4.6 17.0 1.0
N A:PRO98 4.7 15.9 1.0
CA A:PRO98 4.8 16.3 1.0
N A:SER99 4.8 17.0 1.0
CB A:LEU100 4.8 17.4 1.0
CD2 A:PHE132 4.9 13.9 1.0
C A:HIS127 4.9 16.6 1.0
CA A:SER99 4.9 17.7 1.0
N A:HIS127 4.9 17.0 1.0
N A:PHE128 5.0 16.3 1.0

Potassium binding site 2 out of 8 in 5a4j

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Potassium binding site 2 out of 8 in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1


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 FTHFS1 From T.Acetoxydans RE1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1568

b:31.3
occ:1.00
 O A:HOH2047 2.7 27.2 1.0
O A:HOH2148 2.8 40.8 1.0
O A:HOH2155 2.8 13.9 1.0
O A:ILE163 2.8 19.6 1.0
O A:HOH2154 2.9 39.1 1.0
O A:HOH2145 2.9 27.9 1.0
O A:GLU193 3.2 17.5 1.0
O A:HOH2147 3.7 46.2 1.0
C A:ILE163 4.0 19.9 1.0
NH1 A:ARG192 4.0 17.7 1.0
C A:GLU193 4.1 17.5 1.0
CA A:ASP194 4.5 16.9 1.0
N A:ASP194 4.7 17.4 1.0
CB A:ILE163 4.7 20.4 1.0
CA A:ILE163 4.7 20.5 1.0
N A:ILE163 4.8 21.5 1.0
O A:ARG161 4.9 21.3 1.0
N A:THR164 5.0 19.8 1.0

Potassium binding site 3 out of 8 in 5a4j

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Potassium binding site 3 out of 8 in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1


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 FTHFS1 From T.Acetoxydans RE1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1566

b:18.3
occ:1.00
 O B:HOH2074 2.7 25.1 1.0
O B:PRO98 2.7 16.9 1.0
O B:LEU126 2.8 17.1 1.0
O B:ILE124 2.8 18.5 1.0
OE2 B:GLU97 2.8 14.9 1.0
O B:HOH2091 3.3 17.6 1.0
CD B:GLU97 3.7 15.3 1.0
CG B:GLU97 3.8 15.5 1.0
C B:LEU126 3.9 17.2 1.0
C B:PRO98 3.9 17.5 1.0
C B:ILE124 3.9 18.4 1.0
N B:LEU126 4.1 18.1 1.0
C B:ASN125 4.1 18.8 1.0
O B:HOH2073 4.4 14.6 1.0
CA B:ASN125 4.4 19.3 1.0
CG B:PRO98 4.4 16.4 1.0
N B:LEU100 4.5 19.2 1.0
O B:ASN125 4.5 18.9 1.0
CA B:LEU126 4.5 17.6 1.0
CD B:PRO98 4.5 16.2 1.0
C B:SER99 4.5 19.5 1.0
CB B:PHE128 4.6 16.9 1.0
N B:ASN125 4.6 19.0 1.0
N B:PRO98 4.6 16.1 1.0
CA B:PRO98 4.8 16.5 1.0
CA B:LEU100 4.8 18.8 1.0
CD2 B:PHE132 4.8 15.5 1.0
O B:SER99 4.8 20.2 1.0
N B:SER99 4.9 18.1 1.0
C B:HIS127 4.9 16.3 1.0
N B:HIS127 4.9 16.4 1.0
OE1 B:GLU97 4.9 14.5 1.0
CA B:SER99 4.9 19.6 1.0
O B:ASP123 4.9 19.4 1.0
CB B:LEU100 5.0 19.1 1.0
N B:PHE128 5.0 16.6 1.0
CE2 B:PHE132 5.0 15.6 1.0

Potassium binding site 4 out of 8 in 5a4j

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Potassium binding site 4 out of 8 in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1


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 FTHFS1 From T.Acetoxydans RE1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1567

b:34.1
occ:1.00
 O B:HOH2153 2.4 33.9 1.0
O B:HOH2117 2.5 35.9 1.0
O B:ILE163 2.7 14.9 1.0
O B:HOH2116 2.8 25.5 1.0
O B:HOH2121 3.1 14.6 1.0
O B:GLU193 3.3 16.3 1.0
O B:HOH2051 3.3 52.4 1.0
C B:ILE163 3.9 15.3 1.0
O1 B:PEG1563 3.9 46.8 1.0
NH1 B:ARG192 4.1 16.1 1.0
C B:GLU193 4.2 16.2 1.0
O B:HOH2155 4.6 35.3 1.0
N B:ILE163 4.6 16.1 1.0
CA B:ASP194 4.6 15.8 1.0
CA B:ILE163 4.6 15.5 1.0
CB B:ILE163 4.7 15.2 1.0
O B:ARG161 4.7 16.7 1.0
N B:ASP194 4.8 16.0 1.0
N B:THR164 4.9 15.2 1.0
O B:PRO160 5.0 16.5 1.0

Potassium binding site 5 out of 8 in 5a4j

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Potassium binding site 5 out of 8 in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of FTHFS1 From T.Acetoxydans RE1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1562

b:36.0
occ:1.00
 O C:HOH2069 2.6 35.0 1.0
O C:HOH2068 2.7 37.3 1.0
O C:HOH2016 2.7 39.6 1.0
O C:ILE163 2.8 27.5 1.0
O C:HOH2071 2.9 27.0 1.0
O C:GLU193 3.2 22.6 1.0
C C:ILE163 4.0 26.8 1.0
O C:HOH2015 4.0 53.3 1.0
NH1 C:ARG192 4.0 24.7 1.0
C C:GLU193 4.1 22.6 1.0
CA C:ASP194 4.4 22.9 1.0
N C:ASP194 4.6 22.9 1.0
CB C:ILE163 4.7 26.5 1.0
N C:ILE163 4.7 25.9 1.0
CA C:ILE163 4.7 26.5 1.0
O C:ARG161 4.9 22.0 1.0
N C:THR164 5.0 26.8 1.0
CG2 C:ILE163 5.0 26.9 1.0

Potassium binding site 6 out of 8 in 5a4j

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Potassium binding site 6 out of 8 in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of FTHFS1 From T.Acetoxydans RE1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1563

b:36.0
occ:1.00
 O C:LEU126 2.7 32.1 1.0
O C:HOH2033 2.7 36.7 1.0
O C:PRO98 2.8 33.6 1.0
O C:ILE124 2.8 34.4 1.0
OE2 C:GLU97 3.1 35.7 1.0
O C:HOH2039 3.1 32.9 1.0
C C:LEU126 3.8 32.7 1.0
C C:ILE124 3.9 36.0 1.0
CD C:GLU97 4.0 35.5 1.0
C C:PRO98 4.0 33.9 1.0
CG C:GLU97 4.0 35.4 1.0
C C:ASN125 4.1 36.0 1.0
N C:LEU126 4.1 34.7 1.0
CA C:ASN125 4.4 36.7 1.0
N C:LEU100 4.4 32.5 1.0
CA C:LEU126 4.5 34.3 1.0
O C:ASN125 4.5 36.3 1.0
O C:HOH2032 4.5 22.8 1.0
CD C:PRO98 4.5 33.6 1.0
C C:SER99 4.5 33.1 1.0
CG C:PRO98 4.5 33.6 1.0
N C:ASN125 4.6 36.1 1.0
CB C:PHE128 4.6 31.7 1.0
CA C:LEU100 4.7 32.5 1.0
N C:PRO98 4.7 33.2 1.0
O C:SER99 4.8 33.0 1.0
CA C:PRO98 4.8 33.7 1.0
CB C:LEU100 4.9 33.5 1.0
C C:HIS127 4.9 31.4 1.0
N C:HIS127 4.9 32.2 1.0
N C:SER99 4.9 34.3 1.0
CA C:SER99 4.9 34.0 1.0
CD2 C:PHE132 5.0 32.8 1.0
O C:ASP123 5.0 35.6 1.0

Potassium binding site 7 out of 8 in 5a4j

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Potassium binding site 7 out of 8 in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of FTHFS1 From T.Acetoxydans RE1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1561

b:31.9
occ:1.00
 O D:HOH2059 2.6 33.4 1.0
O D:ILE163 2.7 22.9 1.0
O D:HOH2058 2.8 28.9 1.0
O D:HOH2060 2.8 21.6 1.0
O D:HOH2080 3.0 38.4 1.0
O D:GLU193 3.2 18.7 1.0
O D:HOH2020 3.4 40.9 1.0
C D:ILE163 3.9 23.3 1.0
NH1 D:ARG192 4.0 21.2 1.0
C D:GLU193 4.2 18.9 1.0
CA D:ASP194 4.5 19.6 1.0
CB D:ILE163 4.6 22.8 1.0
CA D:ILE163 4.6 23.2 1.0
N D:ILE163 4.6 23.2 1.0
N D:ASP194 4.7 19.3 1.0
O D:ARG161 4.8 21.4 1.0
N D:THR164 4.9 24.1 1.0
CG2 D:ILE163 4.9 23.6 1.0
OD1 D:ASP194 5.0 19.7 1.0
O D:PRO160 5.0 21.2 1.0

Potassium binding site 8 out of 8 in 5a4j

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Potassium binding site 8 out of 8 in the Crystal Structure of FTHFS1 From T.Acetoxydans RE1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of FTHFS1 From T.Acetoxydans RE1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1562

b:33.4
occ:1.00
 O D:LEU126 2.6 32.6 1.0
O D:HOH2032 2.6 45.0 1.0
O D:PRO98 2.8 31.9 1.0
O D:ILE124 2.9 38.3 1.0
OE2 D:GLU97 3.1 34.1 1.0
O D:HOH2037 3.3 32.4 1.0
C D:LEU126 3.8 33.3 1.0
C D:PRO98 4.0 32.9 1.0
CD D:GLU97 4.0 34.7 1.0
CG D:GLU97 4.0 33.9 1.0
C D:ILE124 4.0 40.5 1.0
N D:LEU126 4.1 36.6 1.0
C D:ASN125 4.2 38.5 1.0
N D:LEU100 4.4 32.4 1.0
CA D:LEU126 4.4 35.3 1.0
CA D:ASN125 4.5 39.5 1.0
CG D:PRO98 4.5 33.6 1.0
CD D:PRO98 4.5 33.5 1.0
C D:SER99 4.5 32.9 1.0
O D:HOH2031 4.5 34.9 1.0
CB D:PHE128 4.6 32.6 1.0
O D:ASN125 4.7 38.6 1.0
N D:ASN125 4.7 39.6 1.0
CA D:LEU100 4.7 32.6 1.0
N D:PRO98 4.7 33.3 1.0
C D:HIS127 4.8 31.7 1.0
N D:HIS127 4.8 32.1 1.0
O D:SER99 4.8 33.2 1.0
CD2 D:PHE132 4.8 31.7 1.0
CB D:LEU100 4.8 32.7 1.0
CA D:PRO98 4.9 33.2 1.0
N D:SER99 4.9 32.8 1.0
O D:HIS127 4.9 29.8 1.0
CA D:SER99 4.9 33.4 1.0
N D:PHE128 4.9 32.1 1.0
CA D:HIS127 5.0 31.7 1.0
O D:ASP123 5.0 39.8 1.0

Reference:

R.Bergdahl, F.Jacobson, B.Muller, N.Mikkelsen, A.Schurer, M.Sandgren. Characterization, Crystallization and Three- Dimensional Structures of Formyltetrahydrofolate Synthetase (Fthfs) From the Syntrophic Acetate Oxidising Bacterium Tepidanaerobacter Acetatoxydans RE1 To Be Published.
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