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Chlorine in PDB 4bft: Crystal Structure of Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate:
2.7.1.33;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate, PDB code: 4bft was solved by C.Bjorkelid, T.Bergfors, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.09 / 2.29
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 88.400, 149.690, 62.770, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 28.6

Other elements in 4bft:

The structure of Crystal Structure of Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate (pdb code 4bft). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate, PDB code: 4bft:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4bft

Go back to Chlorine Binding Sites List in 4bft
Chlorine binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate


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 Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:73.6
occ:1.00
 CL A:ZVT501 0.0 73.6 1.0
CAX A:ZVT501 1.8 67.5 1.0
CAH A:ZVT501 2.8 67.6 1.0
CAY A:ZVT501 2.8 61.8 1.0
CAU A:ZVT501 3.1 55.5 1.0
OAC A:ZVT501 3.4 54.1 1.0
CAL A:ZVT501 3.5 49.0 1.0
CAJ A:ZVT501 3.6 48.0 1.0
O A:HOH2031 3.8 46.6 1.0
NE2 A:HIS179 3.8 52.0 1.0
CG1 A:VAL99 3.9 33.3 1.0
NAR A:ZVT501 3.9 46.4 1.0
CD2 A:HIS179 4.0 50.1 1.0
CAF A:ZVT501 4.1 63.0 1.0
CAI A:ZVT501 4.1 60.0 1.0
NAQ A:ZVT501 4.4 45.7 1.0
CG2 A:VAL99 4.4 29.4 1.0
CAG A:ZVT501 4.6 58.6 1.0
CBA A:ZVT501 4.6 45.5 1.0
CAW A:ZVT501 4.8 47.6 1.0
CAV A:ZVT501 4.8 51.5 1.0
CBB A:ZVT501 4.8 45.6 1.0
CB A:VAL99 4.8 31.6 1.0
NAP A:ZVT501 4.9 45.0 1.0
CAN A:ZVT501 4.9 46.8 1.0
O A:HOH2016 5.0 43.8 1.0

Chlorine binding site 2 out of 2 in 4bft

Go back to Chlorine Binding Sites List in 4bft
Chlorine binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate


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 Mycobacterium Tuberculosis Pank in Complex with A Triazole Inhibitory Compound (1B) and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:70.1
occ:1.00
 CL B:ZVT501 0.0 70.1 1.0
CAX B:ZVT501 1.8 51.1 1.0
CAH B:ZVT501 2.8 47.0 1.0
CAY B:ZVT501 2.8 45.8 1.0
CAU B:ZVT501 3.2 43.7 1.0
OAC B:ZVT501 3.3 44.6 1.0
NE2 B:HIS179 3.7 39.6 1.0
CAL B:ZVT501 3.8 37.2 1.0
CAJ B:ZVT501 3.8 35.0 1.0
O B:HOH2026 3.9 43.1 1.0
CD2 B:HIS179 4.0 36.0 1.0
CAF B:ZVT501 4.1 41.3 1.0
CAI B:ZVT501 4.1 44.2 1.0
NAR B:ZVT501 4.1 37.8 1.0
CG1 B:VAL99 4.1 25.9 1.0
CG2 B:VAL99 4.4 24.7 1.0
CAG B:ZVT501 4.6 41.6 1.0
NAQ B:ZVT501 4.8 36.2 1.0
O B:HOH2012 4.8 39.1 1.0
CE1 B:HIS179 4.9 35.6 1.0
CB B:VAL99 4.9 26.4 1.0
CBA B:ZVT501 4.9 37.1 1.0
CAW B:ZVT501 5.0 37.4 1.0

Reference:

C.Bjorkelid, T.Bergfors, A.K.V.Raichurkar, K.Mukherjee, M.Krishnan, B.Bandodkar, T.A.Jones. Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank J.Biol.Chem. V. 288 18260 2013.
ISSN: ISSN 0021-9258
PubMed: 23661699
DOI: 10.1074/JBC.M113.476473
Page generated: Sun Jul 21 10:03:35 2024

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