Chlorine in PDB 5g2p: The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp.

The structure of The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp., PDB code: 5g2p was solved by N.Van Oosterwijk, S.Willies, J.Hekelaar, A.C.Terwisscha Van Scheltinga, N.J.Turner, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.84 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.398, 142.662, 99.681, 90.00, 105.33, 90.00
R / Rfree (%)	15.663 / 20.048

The binding sites of Chlorine atom in the The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp. (pdb code 5g2p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp., PDB code: 5g2p:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1475 b:25.6 occ:1.00 OG A:SER195 3.0 21.0 1.0 NH1 A:ARG144 3.2 14.6 1.0 O A:HOH3238 3.2 17.7 1.0 O A:HOH3233 3.3 32.1 1.0 NH2 A:ARG144 3.3 13.5 1.0 CB A:SER195 3.4 19.8 1.0 CZ A:ARG144 3.6 14.6 1.0 O A:GLU237 3.8 18.0 1.0 N A:SER195 3.9 18.8 1.0 CG A:GLN240 4.1 15.3 1.0 CE2 A:TYR251 4.2 16.9 1.0 CA A:SER195 4.3 20.1 1.0 CD A:GLN240 4.4 16.0 1.0 CB A:PRO247 4.4 18.8 1.0 CD2 A:TYR251 4.5 17.4 1.0 O A:VAL238 4.6 18.4 1.0 OG1 A:THR245 4.7 17.1 1.0 NE2 A:GLN240 4.7 15.1 1.0 CZ A:TYR251 4.7 17.0 1.0 OE1 A:GLN240 4.8 15.9 1.0 NE A:ARG144 4.9 14.3 1.0 N A:GLN240 4.9 16.0 1.0 CB A:SER194 5.0 23.1 1.0 CA A:PRO247 5.0 17.9 1.0 C A:GLU237 5.0 17.0 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1474 b:24.0 occ:1.00 O B:HOH3132 2.8 26.9 1.0 OG B:SER195 3.0 18.8 1.0 O B:HOH3210 3.2 15.7 1.0 NH1 B:ARG144 3.2 14.5 1.0 O B:HOH3204 3.2 23.0 1.0 CB B:SER195 3.4 20.0 1.0 NH2 B:ARG144 3.4 14.7 1.0 CZ B:ARG144 3.7 15.3 1.0 O B:GLU237 3.7 16.4 1.0 CE2 B:TYR251 4.2 17.7 1.0 N B:SER195 4.2 19.3 1.0 CG B:GLN240 4.2 14.8 1.0 CB B:PRO247 4.3 17.8 1.0 CD2 B:TYR251 4.4 17.6 1.0 CA B:SER195 4.4 20.5 1.0 CD B:GLN240 4.5 14.7 1.0 O B:VAL238 4.6 19.5 1.0 CZ B:TYR251 4.7 17.5 1.0 OG1 B:THR245 4.7 15.5 1.0 NE2 B:GLN240 4.9 14.1 1.0 OE1 B:GLN240 4.9 16.4 1.0 CA B:PRO247 4.9 18.1 1.0 C B:GLU237 5.0 16.2 1.0 N B:GLN240 5.0 17.1 1.0 C B:VAL238 5.0 19.6 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1474 b:26.6 occ:1.00 OG C:SER195 2.7 23.8 1.0 O C:HOH3175 3.0 20.1 1.0 NH1 C:ARG144 3.3 18.6 1.0 CB C:SER195 3.4 22.7 1.0 O C:HOH3169 3.4 30.7 1.0 NH2 C:ARG144 3.5 18.3 1.0 N C:SER195 3.7 24.5 1.0 CZ C:ARG144 3.8 18.6 1.0 O C:GLU237 3.9 18.9 1.0 CA C:SER195 4.2 23.5 1.0 CG C:GLN240 4.2 20.5 1.0 CE2 C:TYR251 4.3 21.6 1.0 CD C:GLN240 4.3 20.1 1.0 CB C:PRO247 4.5 24.0 1.0 OG1 C:THR245 4.5 22.1 1.0 CD2 C:TYR251 4.6 21.0 1.0 OE1 C:GLN240 4.6 19.5 1.0 CB C:SER194 4.6 26.6 1.0 NE2 C:GLN240 4.7 16.0 1.0 C C:SER194 4.8 25.3 1.0 CZ C:TYR251 4.8 21.6 1.0 O C:VAL238 4.8 21.9 1.0 CA C:SER194 4.9 25.1 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of A S-Selective Transaminase From Arthrobacter Sp. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1474 b:25.9 occ:1.00 OG D:SER195 3.0 22.8 1.0 O D:HOH3139 3.1 18.6 1.0 NH1 D:ARG144 3.2 15.6 1.0 CB D:SER195 3.5 24.1 1.0 O D:HOH3133 3.5 24.6 1.0 NH2 D:ARG144 3.5 15.0 1.0 CZ D:ARG144 3.8 15.7 1.0 N D:SER195 3.8 21.1 1.0 O D:GLU237 3.9 19.2 1.0 CG D:GLN240 4.2 17.1 1.0 CE2 D:TYR251 4.3 20.0 1.0 CA D:SER195 4.3 22.4 1.0 CD D:GLN240 4.4 17.3 1.0 CB D:PRO247 4.4 20.8 1.0 CD2 D:TYR251 4.5 21.3 1.0 OG1 D:THR245 4.6 18.3 1.0 O D:VAL238 4.7 22.5 1.0 NE2 D:GLN240 4.8 16.1 1.0 OE1 D:GLN240 4.8 19.1 1.0 CZ D:TYR251 4.8 20.4 1.0 CB D:SER194 4.9 24.2 1.0 C D:SER194 4.9 21.1 1.0 CA D:PRO247 5.0 22.2 1.0

N.Van Oosterwijk, S.Willies, J.Hekelaar, A.C.Terwisscha Van Scheltinga, N.J.Turner, B.W.Dijkstra. Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases Biochemistry V. 55 4422 2016.
ISSN: ISSN 0006-2960
PubMed: 27428867
DOI: 10.1021/ACS.BIOCHEM.6B00370