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Chlorine in PDB 4w1w: Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 7-(Diethylamino)-3- (Thiophene-2-Carbonyl)-2H-Chromen-2-One

Enzymatic activity of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 7-(Diethylamino)-3- (Thiophene-2-Carbonyl)-2H-Chromen-2-One

All present enzymatic activity of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 7-(Diethylamino)-3- (Thiophene-2-Carbonyl)-2H-Chromen-2-One:
2.6.1.62;

Protein crystallography data

The structure of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 7-(Diethylamino)-3- (Thiophene-2-Carbonyl)-2H-Chromen-2-One, PDB code: 4w1w was solved by B.C.Finzel, D.Ran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.08 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.000, 66.000, 204.000, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 22.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 7-(Diethylamino)-3- (Thiophene-2-Carbonyl)-2H-Chromen-2-One (pdb code 4w1w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 7-(Diethylamino)-3- (Thiophene-2-Carbonyl)-2H-Chromen-2-One, PDB code: 4w1w:

Chlorine binding site 1 out of 1 in 4w1w

Go back to Chlorine Binding Sites List in 4w1w
Chlorine binding site 1 out of 1 in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 7-(Diethylamino)-3- (Thiophene-2-Carbonyl)-2H-Chromen-2-One


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 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 7-(Diethylamino)-3- (Thiophene-2-Carbonyl)-2H-Chromen-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:40.5
occ:1.00
 N B:SER275 3.2 20.5 1.0
O B:HOH937 3.6 36.6 1.0
CD B:ARG241 3.7 18.0 1.0
CG B:ARG241 3.7 18.7 1.0
CA B:VAL274 3.8 22.8 1.0
O B:HOH632 3.8 38.0 1.0
CG2 B:VAL274 3.8 23.2 1.0
O B:SER275 3.9 18.9 1.0
C B:VAL274 3.9 22.5 1.0
O B:HOH803 4.0 32.1 1.0
CA B:SER275 4.1 19.9 1.0
CB B:SER275 4.1 20.6 1.0
NH2 B:ARG245 4.1 33.4 1.0
CB B:VAL274 4.2 23.9 1.0
C B:SER275 4.5 18.9 1.0
O B:GLY273 4.5 24.3 1.0
OG B:SER275 4.7 24.1 1.0
CG1 B:VAL274 4.7 24.6 1.0
CB B:ARG241 4.9 17.9 1.0
N B:VAL274 4.9 22.8 1.0

Reference:

S.W.Park, D.E.Casalena, D.J.Wilson, R.Dai, P.P.Nag, F.Liu, J.P.Boyce, J.A.Bittker, S.L.Schreiber, B.C.Finzel, D.Schnappinger, C.C.Aldrich. Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium Tuberculosis. Chem.Biol. V. 22 76 2015.
ISSN: ISSN 1074-5521
PubMed: 25556942
DOI: 10.1016/J.CHEMBIOL.2014.11.012
Page generated: Sat Dec 12 11:17:05 2020

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