Atomistry » Chlorine » PDB 4bbp-4bjx » 4bft
Atomistry »
  Chlorine »
    PDB 4bbp-4bjx »
      4bft »

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: Sat Dec 12 10:26:29 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy