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Chlorine in PDB 5mr0: Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation

Enzymatic activity of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation

All present enzymatic activity of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation:
2.6.1.42;

Protein crystallography data

The structure of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation, PDB code: 5mr0 was solved by M.N.Isupov, J.A.Littlechild, P.James, C.Sayer, J.M.Sutter, M.Schmidt, P.Schoenheit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.72 / 1.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.210, 140.230, 168.320, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation (pdb code 5mr0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation, PDB code: 5mr0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 5mr0

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Chlorine binding site 1 out of 9 in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:27.1
occ:0.80
 O B:HOH452 2.7 40.2 1.0
O B:HOH490 2.9 24.6 1.0
O A:HOH472 3.0 22.1 1.0
N A:SER141 3.2 23.9 1.0
N B:SER141 3.2 25.7 1.0
CB A:SER141 3.6 26.2 1.0
CB B:SER141 3.6 27.6 1.0
CB A:ALA144 3.8 23.0 1.0
CB B:ALA144 3.9 21.4 1.0
CA B:ASN140 4.0 28.8 1.0
CA A:ASN140 4.0 22.0 1.0
CA A:SER141 4.0 23.2 1.0
CA B:SER141 4.0 26.3 1.0
C B:ASN140 4.0 28.7 1.0
C A:ASN140 4.1 24.3 1.0
O B:ARG139 4.5 25.2 1.0
O A:ARG139 4.6 22.5 1.0
OD1 B:ASN140 4.9 27.4 1.0
CB B:ASN140 4.9 25.2 1.0
OD1 A:ASN140 4.9 28.9 1.0
N B:ASN140 4.9 23.4 1.0
OG A:SER141 4.9 30.2 1.0
CB A:ASN140 4.9 23.7 1.0
OG B:SER141 4.9 26.6 1.0
O A:HOH446 5.0 28.4 1.0

Chlorine binding site 2 out of 9 in 5mr0

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Chlorine binding site 2 out of 9 in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:33.8
occ:0.70
 O5 C:TAM307 2.7 65.3 0.6
O C:HOH446 3.0 24.4 1.0
O A:HOH448 3.1 36.9 1.0
O A:HOH492 3.2 39.3 1.0
ND2 A:ASN229 3.2 29.3 1.0
CB A:ASN229 3.6 27.3 1.0
C5 C:TAM307 3.7 47.6 0.6
C3 C:TAM307 3.7 45.2 0.6
CG C:PRO201 3.8 27.8 1.0
CG2 C:ILE203 3.9 28.0 1.0
C2 C:TAM307 3.9 51.6 0.6
CG A:ASN229 3.9 34.0 1.0
CB C:PRO201 4.1 27.2 1.0
ND2 C:ASN229 4.3 25.4 1.0
OD1 C:ASN229 4.5 30.6 1.0
C C:TAM307 4.5 57.8 0.6
CE1 A:TYR180 4.6 25.1 1.0
O A:HOH425 4.6 28.8 1.0
N A:ASN229 4.7 28.1 1.0
C6 C:TAM307 4.7 47.9 0.6
CD C:PRO201 4.7 27.8 1.0
CA A:ASN229 4.7 27.9 1.0
OH A:TYR180 4.8 25.2 1.0
CG C:ASN229 4.8 31.6 1.0
CZ A:TYR180 4.8 27.8 1.0
O C:HOH420 4.9 33.1 1.0

Chlorine binding site 3 out of 9 in 5mr0

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Chlorine binding site 3 out of 9 in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:32.7
occ:0.60
 O5 B:TAM306 2.9 58.0 0.6
O E:HOH441 3.0 26.6 1.0
O E:HOH472 3.2 41.0 1.0
ND2 B:ASN229 3.3 27.2 1.0
O B:HOH441 3.4 33.2 1.0
C3 B:TAM306 3.5 46.5 0.6
CB B:ASN229 3.7 29.3 1.0
CG E:PRO201 3.8 28.2 1.0
CG B:ASN229 4.0 32.7 1.0
CG2 E:ILE203 4.0 30.0 1.0
CB E:PRO201 4.1 29.6 1.0
C5 B:TAM306 4.2 50.4 0.6
C2 B:TAM306 4.2 42.6 0.6
ND2 E:ASN229 4.2 26.2 1.0
C6 B:TAM306 4.2 40.9 0.6
OD1 E:ASN229 4.5 26.9 1.0
C B:TAM306 4.5 57.0 0.6
O B:HOH422 4.6 24.7 1.0
CE1 B:TYR180 4.6 28.8 1.0
CD E:PRO201 4.7 27.4 1.0
N B:ASN229 4.7 26.6 1.0
CG E:ASN229 4.7 32.5 1.0
CA B:ASN229 4.8 28.7 1.0
OH B:TYR180 4.8 28.7 1.0
O E:HOH408 4.8 30.2 1.0
CZ B:TYR180 4.8 27.4 1.0

Chlorine binding site 4 out of 9 in 5mr0

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Chlorine binding site 4 out of 9 in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:29.1
occ:0.80
 O D:HOH442 2.8 40.8 1.0
O D:HOH496 2.9 24.3 1.0
O C:HOH485 3.0 21.8 1.0
N D:SER141 3.2 23.7 1.0
N C:SER141 3.2 25.0 1.0
CB C:SER141 3.6 28.2 1.0
CB D:SER141 3.6 23.6 1.0
CB C:ALA144 3.8 22.6 1.0
CB D:ALA144 3.9 24.6 1.0
CA D:ASN140 3.9 19.7 1.0
CA C:ASN140 4.0 24.7 1.0
CA D:SER141 4.0 24.6 1.0
CA C:SER141 4.0 25.9 1.0
C D:ASN140 4.0 25.4 1.0
C C:ASN140 4.1 27.6 1.0
O D:ARG139 4.5 21.9 1.0
O C:ARG139 4.6 24.0 1.0
OD1 D:ASN140 4.8 30.7 1.0
O C:HOH441 4.9 26.0 1.0
CB D:ASN140 4.9 21.4 1.0
N D:ASN140 4.9 23.2 1.0
CB C:ASN140 4.9 25.0 1.0
OD1 C:ASN140 4.9 28.1 1.0
OG C:SER141 4.9 34.0 1.0
O D:HOH416 5.0 24.5 1.0
OG D:SER141 5.0 27.0 1.0
N C:ASN140 5.0 22.2 1.0

Chlorine binding site 5 out of 9 in 5mr0

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Chlorine binding site 5 out of 9 in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:31.3
occ:0.70
 O6 C:TAM307 2.8 70.6 0.6
O F:HOH437 3.1 28.8 1.0
ND2 C:ASN229 3.1 25.4 1.0
O C:HOH470 3.2 43.4 1.0
O C:HOH438 3.5 34.6 1.0
CB C:ASN229 3.6 26.1 1.0
C1 C:TAM307 3.6 40.0 0.6
C3 C:TAM307 3.8 45.2 0.6
C6 C:TAM307 3.8 47.9 0.6
CG C:ASN229 3.8 31.6 1.0
CG2 F:ILE203 3.9 28.4 1.0
CG F:PRO201 3.9 36.9 1.0
CB F:PRO201 4.2 32.0 1.0
C C:TAM307 4.4 57.8 0.6
ND2 F:ASN229 4.4 25.2 1.0
CE1 C:TYR180 4.5 23.5 1.0
O C:HOH422 4.6 26.6 1.0
OD1 F:ASN229 4.6 29.5 1.0
OH C:TYR180 4.6 25.8 1.0
CZ C:TYR180 4.7 31.5 1.0
N C:ASN229 4.7 29.2 1.0
CA C:ASN229 4.7 32.0 1.0
C4 C:TAM307 4.7 47.4 0.6
CD F:PRO201 4.9 34.4 1.0
CG F:ASN229 4.9 34.1 1.0
O F:HOH413 5.0 33.5 1.0

Chlorine binding site 6 out of 9 in 5mr0

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Chlorine binding site 6 out of 9 in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:31.3
occ:0.70
 O4 B:TAM306 2.8 67.8 0.6
O B:HOH465 3.0 30.7 1.0
O D:HOH467 3.1 39.9 1.0
ND2 D:ASN229 3.2 27.3 1.0
O D:HOH483 3.4 31.9 1.0
C2 B:TAM306 3.6 42.6 0.6
CB D:ASN229 3.7 23.4 1.0
CG B:PRO201 3.8 35.3 1.0
C1 B:TAM306 3.8 46.9 0.6
C4 B:TAM306 3.9 45.0 0.6
CG D:ASN229 3.9 33.3 1.0
CG2 B:ILE203 4.0 28.5 1.0
CB B:PRO201 4.1 26.4 1.0
ND2 B:ASN229 4.3 27.2 1.0
C B:TAM306 4.3 57.0 0.6
OD1 B:ASN229 4.6 27.1 1.0
CE1 D:TYR180 4.6 23.2 1.0
N D:ASN229 4.7 23.6 1.0
O D:HOH430 4.7 25.1 1.0
OH D:TYR180 4.7 27.6 1.0
CA D:ASN229 4.7 27.9 1.0
CZ D:TYR180 4.8 25.9 1.0
C5 B:TAM306 4.8 50.4 0.6
CD B:PRO201 4.8 32.2 1.0
CG B:ASN229 4.8 32.7 1.0
O E:HOH452 4.9 32.9 1.0
O B:HOH412 5.0 30.4 1.0
OG1 D:THR228 5.0 39.2 1.0

Chlorine binding site 7 out of 9 in 5mr0

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Chlorine binding site 7 out of 9 in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:29.4
occ:0.80
 O E:HOH444 2.9 36.4 1.0
O F:HOH481 2.9 26.8 1.0
O E:HOH486 3.0 25.6 1.0
N F:SER141 3.2 24.7 1.0
N E:SER141 3.2 23.5 1.0
CB F:SER141 3.6 26.5 1.0
CB E:SER141 3.6 25.5 1.0
CB E:ALA144 3.8 25.3 1.0
CB F:ALA144 3.9 24.5 1.0
CA F:SER141 4.0 23.0 1.0
CA F:ASN140 4.0 25.2 1.0
CA E:ASN140 4.0 25.8 1.0
CA E:SER141 4.0 24.1 1.0
C F:ASN140 4.0 29.7 1.0
C E:ASN140 4.1 28.1 1.0
O F:ARG139 4.5 25.6 1.0
O E:ARG139 4.6 24.7 1.0
O E:HOH414 4.9 26.8 1.0
O F:HOH407 4.9 28.5 1.0
OG F:SER141 4.9 25.8 1.0
OG E:SER141 4.9 24.5 1.0
CB F:ASN140 4.9 33.0 1.0
OD1 F:ASN140 4.9 34.9 1.0
OD1 E:ASN140 4.9 29.6 1.0
CB E:ASN140 5.0 25.9 1.0
N F:ASN140 5.0 26.8 1.0
N E:ASN140 5.0 23.5 1.0

Chlorine binding site 8 out of 9 in 5mr0

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Chlorine binding site 8 out of 9 in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl303

b:33.1
occ:0.70
 O6 B:TAM306 2.9 60.6 0.6
O D:HOH427 3.1 24.9 1.0
O E:HOH452 3.2 32.9 1.0
ND2 E:ASN229 3.3 26.2 1.0
O E:HOH449 3.3 38.2 1.0
CB E:ASN229 3.7 22.7 1.0
C1 B:TAM306 3.7 46.9 0.6
C6 B:TAM306 3.7 40.9 0.6
C3 B:TAM306 3.8 46.5 0.6
CG D:PRO201 3.8 26.9 1.0
CG E:ASN229 4.0 32.5 1.0
CG2 D:ILE203 4.0 29.7 1.0
CB D:PRO201 4.1 27.3 1.0
ND2 D:ASN229 4.3 27.3 1.0
C B:TAM306 4.4 57.0 0.6
OD1 D:ASN229 4.5 26.3 1.0
N E:ASN229 4.6 23.6 1.0
CE1 E:TYR180 4.7 27.1 1.0
CA E:ASN229 4.7 25.3 1.0
O E:HOH415 4.7 27.6 1.0
C4 B:TAM306 4.7 45.0 0.6
CD D:PRO201 4.8 26.9 1.0
CG D:ASN229 4.8 33.3 1.0
OH E:TYR180 4.8 27.6 1.0
CZ E:TYR180 4.8 27.7 1.0
OG1 E:THR228 4.9 41.1 1.0
O E:HOH472 5.0 41.0 1.0

Chlorine binding site 9 out of 9 in 5mr0

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Chlorine binding site 9 out of 9 in the Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Thermophilic Archaeal Branched-Chain Amino Acid Transaminases From Geoglobus Acetivorans and Archaeoglobus Fulgidus: Biochemical and Structural Characterisation within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl301

b:33.5
occ:0.60
 O A:HOH442 3.0 24.4 1.0
O A:HOH476 3.1 35.0 1.0
ND2 F:ASN229 3.2 25.2 1.0
C4 C:TAM307 3.4 47.4 0.6
O4 C:TAM307 3.4 73.0 0.6
C2 C:TAM307 3.6 51.6 0.6
CB F:ASN229 3.6 26.1 1.0
O F:HOH420 3.7 41.0 1.0
CG A:PRO201 3.8 31.7 1.0
CG F:ASN229 3.9 34.1 1.0
CG2 A:ILE203 3.9 31.1 1.0
CB A:PRO201 4.1 30.9 1.0
C1 C:TAM307 4.2 40.0 0.6
ND2 A:ASN229 4.3 29.3 1.0
C5 C:TAM307 4.4 47.6 0.6
OD1 A:ASN229 4.4 32.3 1.0
C C:TAM307 4.6 57.8 0.6
O F:HOH426 4.6 30.6 1.0
CE1 F:TYR180 4.6 31.5 1.0
N F:ASN229 4.6 27.5 1.0
CD A:PRO201 4.7 29.0 1.0
CA F:ASN229 4.7 29.6 1.0
CG A:ASN229 4.7 34.0 1.0
OH F:TYR180 4.8 31.4 1.0
CZ F:TYR180 4.8 30.8 1.0
O A:HOH426 4.8 32.5 1.0
O C:HOH470 5.0 43.4 1.0

Reference:

M.N.Isupov, K.M.Boyko, J.M.Sutter, P.James, C.Sayer, M.Schmidt, P.Schonheit, A.Y.Nikolaeva, T.N.Stekhanova, A.V.Mardanov, N.V.Ravin, E.Y.Bezsudnova, V.O.Popov, J.A.Littlechild. Thermostable Branched-Chain Amino Acid Transaminases From the Archaeageoglobus Acetivoransandarchaeoglobus Fulgidus: Biochemical and Structural Characterization. Front Bioeng Biotechnol V. 7 7 2019.
ISSN: ISSN 2296-4185
PubMed: 30733943
DOI: 10.3389/FBIOE.2019.00007
Page generated: Fri Jul 26 12:51:14 2024

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