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Chlorine in PDB 5o0h: Crystal Structure of Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6)

Enzymatic activity of Crystal Structure of Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6)

All present enzymatic activity of Crystal Structure of Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6):
2.7.7.3;

Protein crystallography data

The structure of Crystal Structure of Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6), PDB code: 5o0h was solved by S.E.Thomas, S.Y.Kim, V.Mendes, M.Blaszczyk, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.15 / 1.60
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 76.131, 125.562, 120.148, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 25.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6) (pdb code 5o0h). 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 Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6), PDB code: 5o0h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5o0h

Go back to Chlorine Binding Sites List in 5o0h
Chlorine binding site 1 out of 2 in the Crystal Structure of Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6)


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 Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:42.5
occ:1.00
 CL B:9FN201 0.0 42.5 1.0
C06 B:9FN201 1.7 34.0 1.0
C05 B:9FN201 2.5 35.1 1.0
O12 B:9FN201 2.7 38.8 1.0
C08 B:9FN201 2.7 37.7 1.0
O B:ALA34 3.1 16.7 1.0
N10 B:9FN201 3.1 37.4 1.0
N B:LEU36 3.4 15.3 1.0
CB B:LEU36 3.4 23.7 1.0
CA B:LEU36 3.5 21.1 1.0
C B:ALA34 3.6 18.5 1.0
N B:GLY8 3.6 16.0 1.0
O B:GLY8 3.7 14.9 1.0
C04 B:9FN201 3.8 44.8 1.0
CB B:ALA34 3.9 13.8 1.0
C B:VAL35 3.9 20.6 1.0
CB B:PRO7 3.9 14.8 1.0
C09 B:9FN201 3.9 32.5 1.0
CA B:PRO7 4.1 11.4 1.0
N B:VAL35 4.2 15.1 1.0
O11 B:9FN201 4.3 29.8 1.0
C03 B:9FN201 4.3 33.6 1.0
C B:PRO7 4.4 16.3 1.0
CA B:VAL35 4.4 12.4 1.0
C B:GLY8 4.4 16.1 1.0
CA B:ALA34 4.4 12.6 1.0
CA B:GLY8 4.5 17.6 1.0
O B:VAL35 4.5 17.5 1.0
CG B:LEU36 4.6 30.3 1.0
CD1 B:LEU36 4.6 34.5 1.0
CD1 B:LEU73 4.7 17.3 1.0

Chlorine binding site 2 out of 2 in 5o0h

Go back to Chlorine Binding Sites List in 5o0h
Chlorine binding site 2 out of 2 in the Crystal Structure of Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6)


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 Phosphopantetheine Adenylyltransferase From Mycobacterium Abcessus in Complex with 2-(4-Chloro-3-Nitrobenzoyl) Benzoic Acid (Fragment 6) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:51.5
occ:1.00
 CL C:9FN201 0.0 51.5 1.0
C06 C:9FN201 1.7 40.7 1.0
C05 C:9FN201 2.7 36.9 1.0
O12 C:9FN201 2.7 47.2 1.0
C08 C:9FN201 2.7 39.0 1.0
O C:ALA34 3.0 21.0 1.0
N10 C:9FN201 3.1 47.6 1.0
N C:LEU36 3.5 22.2 1.0
C C:ALA34 3.5 16.7 1.0
CB C:ALA34 3.5 21.3 1.0
CA C:LEU36 3.5 26.1 1.0
CB C:LEU36 3.7 32.1 1.0
C C:VAL35 3.8 25.4 1.0
C04 C:9FN201 4.0 47.5 1.0
C09 C:9FN201 4.0 41.1 1.0
N C:VAL35 4.1 17.6 1.0
CA C:ALA34 4.1 17.0 1.0
O11 C:9FN201 4.2 38.0 1.0
O C:VAL35 4.2 26.7 1.0
CB C:PRO7 4.3 16.2 1.0
O C:GLY8 4.3 23.8 1.0
N C:GLY8 4.3 18.9 1.0
CA C:VAL35 4.4 17.6 1.0
CD1 C:LEU36 4.5 47.3 1.0
C03 C:9FN201 4.5 46.6 1.0
CA C:PRO7 4.5 18.9 1.0
O C:GLY69 4.7 30.9 1.0
CA C:GLY69 4.7 29.0 1.0
CG C:LEU36 4.7 43.4 1.0
CD1 C:LEU73 4.8 19.6 1.0
C C:GLY69 4.8 33.5 1.0
N C:GLY69 4.9 23.5 1.0
C C:PRO7 4.9 19.4 1.0

Reference:

S.E.Thomas, V.Mendes, S.Y.Kim, S.Malhotra, B.Ochoa-Montano, M.Blaszczyk, T.L.Blundell. Structural Biology and the Design of New Therapeutics: From Hiv and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew. J. Mol. Biol. V. 429 2677 2017.
ISSN: ESSN 1089-8638
PubMed: 28648615
DOI: 10.1016/J.JMB.2017.06.014
Page generated: Fri Jul 26 14:00:38 2024

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