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Chlorine in PDB 6wqm: Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae

Enzymatic activity of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae

All present enzymatic activity of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae:
2.3.1.117;

Protein crystallography data

The structure of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae, PDB code: 6wqm was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.89 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 68.840, 228.220, 71.190, 90.00, 120.10, 90.00
R / Rfree (%) 20.6 / 25.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae (pdb code 6wqm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae, PDB code: 6wqm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6wqm

Go back to Chlorine Binding Sites List in 6wqm
Chlorine binding site 1 out of 7 in the Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:24.9
occ:0.95
 O C:HOH386 2.9 34.7 1.0
N A:SER93 3.1 23.1 1.0
O A:HOH432 3.1 29.1 1.0
ND2 C:ASN83 3.3 26.0 1.0
CB A:SER93 3.6 25.2 1.0
CE A:MET78 3.9 31.2 1.0
CA A:PRO92 3.9 22.3 1.0
CB C:ASN83 3.9 29.4 1.0
CB A:SER96 3.9 26.0 1.0
CA A:SER93 3.9 22.3 1.0
C A:PRO92 4.0 26.6 1.0
CB A:PRO92 4.1 22.4 1.0
CG C:ASN83 4.1 27.7 1.0
OG A:SER96 4.2 26.8 1.0
O A:SER93 4.5 23.3 1.0
CA A:SER96 4.6 27.3 1.0
O C:VAL82 4.7 25.5 1.0
C A:SER93 4.7 24.6 1.0
CG2 C:THR85 4.7 22.4 1.0
CG1 C:VAL82 4.8 20.5 1.0
OG A:SER93 4.9 25.3 1.0
N A:SER96 5.0 23.4 1.0

Chlorine binding site 2 out of 7 in 6wqm

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Chlorine binding site 2 out of 7 in the Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:45.5
occ:0.86
 O A:HOH410 3.3 29.7 1.0
NH2 A:ARG71 3.3 46.0 1.0
NE A:ARG71 3.5 39.7 1.0
CD A:ARG18 3.7 37.0 1.0
CB A:LEU67 3.9 29.4 1.0
CZ A:ARG71 3.9 43.7 1.0
CD1 A:LEU67 3.9 35.2 1.0
CE1 A:PHE15 3.9 36.0 1.0
NE A:ARG18 4.1 41.9 1.0
CD2 A:LEU67 4.1 29.0 1.0
CG A:LEU67 4.1 29.4 1.0
CZ A:PHE15 4.2 34.9 1.0
OE2 A:GLU174 4.6 52.8 1.0
CD A:ARG71 4.8 39.0 1.0
O A:LEU67 4.8 31.6 1.0
CG A:ARG18 4.9 41.6 1.0
CA A:LEU67 4.9 31.1 1.0
C A:LEU67 4.9 28.0 1.0
CD1 A:PHE15 5.0 35.7 1.0

Chlorine binding site 3 out of 7 in 6wqm

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Chlorine binding site 3 out of 7 in the Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:36.3
occ:0.89
 O A:HOH526 3.1 41.9 1.0
N B:SER93 3.1 37.2 1.0
ND2 A:ASN83 3.4 38.3 1.0
CA B:PRO92 3.7 35.1 1.0
CB B:PRO92 3.8 34.5 1.0
CB B:SER96 3.9 33.4 1.0
CB B:SER93 3.9 34.1 1.0
C B:PRO92 3.9 34.3 1.0
CA B:SER93 4.1 30.1 1.0
CB A:ASN83 4.1 34.7 1.0
OG B:SER96 4.2 34.5 1.0
CG A:ASN83 4.2 34.6 1.0
CE B:MET78 4.3 36.9 1.0
O B:SER93 4.5 32.0 1.0
CA B:SER96 4.7 34.2 1.0
CG2 A:THR85 4.7 30.9 1.0
CG1 A:VAL82 4.7 31.4 1.0
C B:SER93 4.8 30.8 1.0
O A:VAL82 4.8 34.0 1.0
CG2 A:VAL82 4.9 30.4 1.0

Chlorine binding site 4 out of 7 in 6wqm

Go back to Chlorine Binding Sites List in 6wqm
Chlorine binding site 4 out of 7 in the Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl300

b:28.6
occ:0.78
 O C:HOH388 3.0 33.8 1.0
O C:HOH364 3.0 32.6 1.0
O C:HOH384 3.1 28.8 1.0
ND2 B:ASN83 3.1 27.5 1.0
N C:SER93 3.2 27.3 1.0
CB C:SER93 3.8 26.2 1.0
CB B:ASN83 3.9 26.5 1.0
CA C:PRO92 3.9 25.1 1.0
CG B:ASN83 4.0 28.4 1.0
CA C:SER93 4.1 28.9 1.0
CB C:SER96 4.1 34.2 1.0
C C:PRO92 4.1 28.1 1.0
CB C:PRO92 4.1 30.0 1.0
OG C:SER96 4.4 29.9 1.0
O C:SER93 4.5 30.6 1.0
O C:HOH371 4.7 28.4 1.0
CA C:SER96 4.7 32.4 1.0
CG2 B:THR85 4.8 26.5 1.0
O B:VAL82 4.8 24.3 1.0
C C:SER93 4.8 25.9 1.0
CG1 B:VAL82 5.0 22.1 1.0
OG C:SER93 5.0 27.1 1.0

Chlorine binding site 5 out of 7 in 6wqm

Go back to Chlorine Binding Sites List in 6wqm
Chlorine binding site 5 out of 7 in the Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:28.5
occ:0.94
 N D:SER93 3.2 27.9 1.0
ND2 E:ASN83 3.5 34.0 1.0
CB D:SER93 3.8 28.9 1.0
CA D:PRO92 3.9 26.1 1.0
CB D:SER96 4.0 29.6 1.0
CB E:ASN83 4.0 34.6 1.0
CB D:PRO92 4.0 27.6 1.0
CA D:SER93 4.1 27.9 1.0
C D:PRO92 4.1 30.3 1.0
OG D:SER96 4.2 29.9 1.0
CG E:ASN83 4.3 33.8 1.0
O D:SER93 4.5 27.7 1.0
CG2 E:THR85 4.5 33.5 1.0
CA D:SER96 4.6 32.9 1.0
O E:VAL82 4.6 34.5 1.0
CG1 E:VAL82 4.8 31.9 1.0
C D:SER93 4.8 28.4 1.0
O D:HOH465 5.0 33.8 1.0

Chlorine binding site 6 out of 7 in 6wqm

Go back to Chlorine Binding Sites List in 6wqm
Chlorine binding site 6 out of 7 in the Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:39.0
occ:0.92
 ND2 D:ASN83 3.1 46.1 1.0
N F:SER93 3.2 43.2 1.0
CB D:ASN83 3.7 40.8 1.0
CB F:SER93 3.8 45.0 1.0
CG D:ASN83 3.9 41.4 1.0
CA F:PRO92 3.9 45.1 1.0
CB F:SER96 4.0 49.3 1.0
CB F:PRO92 4.0 45.1 1.0
CA F:SER93 4.1 41.8 1.0
C F:PRO92 4.1 45.9 1.0
OG F:SER96 4.2 52.1 1.0
O F:SER93 4.5 43.0 1.0
O D:VAL82 4.5 40.5 1.0
CA F:SER96 4.6 49.2 1.0
CE F:MET78 4.6 52.4 1.0
CG2 D:THR85 4.7 40.8 1.0
C F:SER93 4.8 42.8 1.0
CG1 D:VAL82 4.9 38.2 1.0
N F:SER96 5.0 46.3 1.0

Chlorine binding site 7 out of 7 in 6wqm

Go back to Chlorine Binding Sites List in 6wqm
Chlorine binding site 7 out of 7 in the Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N- Succinyltransferase From Bartonella Henselae within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl300

b:42.2
occ:1.00
 N E:SER93 3.0 41.1 1.0
ND2 F:ASN83 3.3 41.7 1.0
O E:HOH426 3.4 48.2 1.0
CB E:SER93 3.7 42.5 1.0
CE E:MET78 3.7 45.0 1.0
CA E:PRO92 3.8 40.8 1.0
C E:PRO92 3.9 41.1 1.0
CA E:SER93 3.9 38.3 1.0
CB F:ASN83 4.0 44.5 1.0
CB E:PRO92 4.0 41.0 1.0
CB E:SER96 4.1 50.5 1.0
CG F:ASN83 4.1 43.8 1.0
OG E:SER96 4.3 52.1 1.0
O E:SER93 4.4 42.2 1.0
CA E:SER96 4.7 48.6 1.0
C E:SER93 4.7 41.0 1.0
O F:VAL82 4.8 42.1 1.0
CG2 F:THR85 4.9 45.1 1.0
CG1 F:VAL82 4.9 39.3 1.0
OG E:SER93 4.9 37.9 1.0
N E:SER96 5.0 49.0 1.0

Reference:

J.Abendroth, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of 2,3,4,5-Tetrahydropyridine-2-Carboxylate N-Succinyltransferase From Bartonella Henselae To Be Published.
Page generated: Sat Jul 12 21:22:23 2025

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