Chlorine in PDB 4k2i: Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp

The structure of Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp, PDB code: 4k2i was solved by K.E.Van Straaten, D.R.J.Palmer, D.A.R.Sanders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.03 / 2.23
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.109, 106.979, 99.177, 90.00, 95.96, 90.00
R / Rfree (%)	15.8 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp (pdb code 4k2i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp, PDB code: 4k2i:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp


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 Ntda From Bacillus Subtilis with Bound Cofactor Pmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:51.6 occ:1.00 N A:VAL119 3.0 17.1 1.0 O A:HOH786 3.1 39.1 1.0 O A:VAL119 3.4 16.4 1.0 CA A:TYR118 3.8 17.4 1.0 CA A:VAL119 3.9 18.0 1.0 C A:TYR118 3.9 19.1 1.0 C A:VAL119 4.0 18.1 1.0 O A:ARG117 4.1 20.2 1.0 CB A:VAL119 4.3 17.8 1.0 CB A:GLU107 4.4 17.8 1.0 O A:GLU107 4.5 14.5 1.0 CB A:TYR118 4.6 17.3 1.0 C A:GLU107 4.7 19.7 1.0 CB A:SER111 4.8 19.3 1.0 N A:TYR118 4.8 18.4 1.0 C A:ARG117 4.9 23.8 1.0 CG2 A:VAL119 5.0 14.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp


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 Ntda From Bacillus Subtilis with Bound Cofactor Pmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:47.4 occ:1.00 N A:LEU382 3.1 19.0 1.0 CE A:MET385 3.3 34.3 1.0 NE2 A:HIS407 3.3 26.6 1.0 CB A:MET385 3.6 25.1 1.0 CA A:ILE381 3.7 20.6 1.0 CG A:MET385 3.7 33.0 1.0 CD2 A:HIS407 3.9 22.0 1.0 C A:ILE381 3.9 21.8 1.0 CG A:LEU382 3.9 24.1 1.0 O A:PRO380 3.9 23.2 1.0 CB A:LEU382 3.9 20.1 1.0 CG2 A:ILE381 4.1 15.9 1.0 CA A:LEU382 4.1 18.2 1.0 SD A:MET385 4.1 55.5 1.0 CE1 A:HIS407 4.2 24.2 1.0 CD1 A:LEU382 4.3 17.3 1.0 CB A:ILE381 4.4 22.4 1.0 N A:ILE381 4.6 19.2 1.0 C A:PRO380 4.7 24.3 1.0 O A:LEU382 4.7 17.6 1.0 CG1 A:ILE381 4.9 23.6 1.0 C A:LEU382 4.9 20.6 1.0 CG A:HIS407 4.9 21.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:50.2 occ:1.00 N B:VAL119 3.0 16.7 1.0 O B:HOH837 3.0 36.3 1.0 O B:HOH849 3.2 36.1 1.0 O B:VAL119 3.3 18.3 1.0 CA B:TYR118 3.7 17.8 1.0 C B:TYR118 3.8 16.9 1.0 CA B:VAL119 3.9 15.6 1.0 O B:ARG117 4.0 18.0 1.0 C B:VAL119 4.0 20.3 1.0 O B:HOH724 4.0 28.6 1.0 CB B:VAL119 4.2 16.9 1.0 CB B:GLU107 4.5 16.6 1.0 CB B:TYR118 4.5 13.7 1.0 O B:GLU107 4.5 15.9 1.0 N B:TYR118 4.7 17.3 1.0 C B:ARG117 4.7 21.2 1.0 CB B:SER111 4.7 17.8 1.0 C B:GLU107 4.7 17.8 1.0 CD1 B:TYR118 4.8 20.5 1.0 CG2 B:VAL119 4.9 13.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Ntda From Bacillus Subtilis with Bound Cofactor Pmp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:47.7 occ:1.00 N B:LEU382 3.1 16.6 1.0 NE2 B:HIS407 3.3 23.6 1.0 CE B:MET385 3.3 30.8 1.0 CG B:MET385 3.5 30.1 1.0 CB B:MET385 3.6 19.7 1.0 CD2 B:HIS407 3.7 18.6 1.0 CG B:LEU382 3.7 21.5 1.0 CA B:ILE381 3.7 20.3 1.0 CB B:LEU382 3.8 17.6 1.0 C B:ILE381 3.9 19.2 1.0 CA B:LEU382 4.0 17.7 1.0 O B:PRO380 4.0 19.1 1.0 CG2 B:ILE381 4.1 12.9 1.0 CD1 B:LEU382 4.1 15.6 1.0 SD B:MET385 4.2 57.4 1.0 CE1 B:HIS407 4.2 17.4 1.0 CB B:ILE381 4.4 19.8 1.0 O B:LEU382 4.6 18.3 1.0 CG B:HIS407 4.7 21.2 1.0 N B:ILE381 4.8 15.0 1.0 C B:PRO380 4.8 20.3 1.0 C B:LEU382 4.9 20.6 1.0

K.E.Van Straaten, J.B.Ko, R.Jagdhane, S.Anjum, D.R.Palmer, D.A.Sanders. The Structure of Ntda, A Sugar Aminotransferase Involved in the Kanosamine Biosynthetic Pathway in Bacillus Subtilis, Reveals A New Subclass of Aminotransferases. J.Biol.Chem. V. 288 34121 2013.
ISSN: ISSN 0021-9258
PubMed: 24097983
DOI: 10.1074/JBC.M113.500637