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Chlorine in PDB 5ckx: Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine

Enzymatic activity of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine

All present enzymatic activity of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine:
2.5.1.54; 5.4.99.5;

Protein crystallography data

The structure of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine, PDB code: 5ckx was solved by S.Munack, M.Okvist, U.Krengel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 58.72 / 2.70
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 203.397, 203.397, 67.049, 90.00, 90.00, 120.00
R / Rfree (%) 20 / 24.9

Other elements in 5ckx:

The structure of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine (pdb code 5ckx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine, PDB code: 5ckx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5ckx

Go back to Chlorine Binding Sites List in 5ckx
Chlorine binding site 1 out of 3 in the Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:71.0
occ:1.00
 H A:GLN36 2.6 51.1 1.0
HA A:ALA35 3.3 48.3 1.0
N A:GLN36 3.5 42.5 1.0
HB1 A:ALA35 3.7 48.4 1.0
CA A:ALA35 4.0 40.2 1.0
HA A:GLN36 4.1 48.4 1.0
HG2 A:GLN36 4.2 57.1 1.0
CB A:ALA35 4.2 40.3 1.0
C A:ALA35 4.3 47.6 1.0
CA A:GLN36 4.4 40.3 1.0
HB2 A:ALA35 4.4 48.4 1.0
H A:GLN37 4.9 47.4 1.0
CG A:GLN36 4.9 47.6 1.0
CD A:GLN36 5.0 54.2 1.0

Chlorine binding site 2 out of 3 in 5ckx

Go back to Chlorine Binding Sites List in 5ckx
Chlorine binding site 2 out of 3 in the Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:73.0
occ:1.00
 HH22 A:ARG168 1.9 55.7 1.0
HH12 A:ARG168 2.6 63.5 1.0
NH2 A:ARG168 2.7 46.4 1.0
HA2 A:GLY154 3.2 62.4 1.0
NH1 A:ARG168 3.3 53.0 1.0
HH21 A:ARG168 3.3 55.7 1.0
HH12 A:ARG171 3.3 76.1 1.0
OD1 A:ASP150 3.4 49.1 1.0
CZ A:ARG168 3.4 45.9 1.0
HA3 A:GLY154 3.7 62.4 1.0
OD2 B:ASP6 3.8 74.6 1.0
NH1 A:ARG171 3.9 63.5 1.0
CA A:GLY154 3.9 52.0 1.0
CG A:ASP150 3.9 43.6 1.0
H A:PHE155 4.0 71.3 1.0
HH11 A:ARG168 4.1 63.5 1.0
HH11 A:ARG171 4.2 76.1 1.0
OD2 A:ASP150 4.3 46.7 1.0
HD2 A:PHE91 4.3 48.5 1.0
HH22 A:ARG171 4.4 69.2 1.0
HA A:ASP150 4.5 49.2 1.0
HB3 A:ASP150 4.6 47.9 1.0
HB2 A:PHE91 4.6 46.9 1.0
N A:PHE155 4.7 59.4 1.0
CZ A:ARG171 4.7 53.9 1.0
NE A:ARG168 4.7 40.7 1.0
HG2 A:MET92 4.7 93.8 1.0
O A:ASN153 4.8 46.0 1.0
NH2 A:ARG171 4.8 57.7 1.0
CB A:ASP150 4.8 39.9 1.0
N A:GLY154 4.8 42.6 1.0
CG B:ASP6 4.8 74.4 1.0
C A:GLY154 4.9 50.0 1.0
CD2 A:PHE91 4.9 40.4 1.0

Chlorine binding site 3 out of 3 in 5ckx

Go back to Chlorine Binding Sites List in 5ckx
Chlorine binding site 3 out of 3 in the Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:53.4
occ:1.00
 HG B:SER62 2.6 59.9 1.0
HD2 B:PRO61 2.7 44.8 1.0
H B:SER62 2.8 41.4 1.0
HH12 A:ARG100 3.2 69.3 1.0
OG B:SER62 3.3 49.9 1.0
HB3 B:SER62 3.4 38.5 1.0
HB B:VAL60 3.5 46.3 1.0
CD B:PRO61 3.6 37.4 1.0
N B:SER62 3.7 34.5 1.0
HB2 B:PRO61 3.8 40.0 1.0
CB B:SER62 3.8 32.1 1.0
HG2 B:PRO61 4.0 48.7 1.0
NH1 A:ARG100 4.0 57.7 1.0
HH22 A:ARG100 4.1 70.0 1.0
N B:PRO61 4.2 34.6 1.0
CG B:PRO61 4.2 40.6 1.0
HD3 B:PRO61 4.3 44.8 1.0
CA B:SER62 4.4 31.1 1.0
CB B:PRO61 4.4 33.4 1.0
CB B:VAL60 4.4 38.6 1.0
HG23 B:VAL60 4.4 41.0 1.0
HH11 A:ARG100 4.5 69.3 1.0
HG B:SER262 4.5 86.0 1.0
HG21 B:VAL60 4.5 41.0 1.0
C B:PRO61 4.6 33.7 1.0
CA B:PRO61 4.7 34.3 1.0
CG2 B:VAL60 4.7 34.2 1.0
HB2 B:SER62 4.7 38.5 1.0
NH2 A:ARG100 4.7 58.4 1.0
HA B:SER62 4.8 37.3 1.0
CZ A:ARG100 4.8 71.7 1.0
C B:VAL60 4.9 31.2 1.0
OG A:SER189 5.0 55.7 1.0

Reference:

S.Munack, K.Roderer, M.Okvist, J.Kamarauskaite, S.Sasso, A.Van Eerde, P.Kast, U.Krengel. Remote Control By Inter-Enzyme Allostery: A Novel Paradigm For Regulation of the Shikimate Pathway. J.Mol.Biol. V. 428 1237 2016.
ISSN: ESSN 1089-8638
PubMed: 26776476
DOI: 10.1016/J.JMB.2016.01.001
Page generated: Sat Dec 12 11:35:26 2020

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