Chlorine in PDB 4wa8: Methanopyrus Kandleri Fen-1 Nuclease

The structure of Methanopyrus Kandleri Fen-1 Nuclease, PDB code: 4wa8 was solved by S.Shah, P.Dunten, N.C.Horton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.43 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.331, 86.193, 147.617, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.1

The binding sites of Chlorine atom in the Methanopyrus Kandleri Fen-1 Nuclease (pdb code 4wa8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Methanopyrus Kandleri Fen-1 Nuclease, PDB code: 4wa8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Methanopyrus Kandleri Fen-1 Nuclease


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Methanopyrus Kandleri Fen-1 Nuclease within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:37.6 occ:1.00 OH A:TYR63 3.1 36.8 1.0 O A:HOH532 3.2 43.2 1.0 N A:SER317 3.3 40.4 1.0 CD2 A:PHE316 3.5 36.1 1.0 CB A:PHE316 3.7 38.2 1.0 CA A:PHE316 3.8 40.0 1.0 CE2 A:TYR63 3.8 35.2 1.0 CG A:PHE316 3.8 37.6 1.0 CZ A:TYR63 3.9 34.7 1.0 CD A:ARG320 4.0 38.2 1.0 CB A:SER317 4.0 42.1 1.0 C A:PHE316 4.0 40.5 1.0 NH1 A:ARG320 4.1 40.0 1.0 CA A:SER317 4.2 41.9 1.0 CE2 A:PHE316 4.3 36.1 1.0 O A:SER317 4.6 38.5 1.0 CB A:ARG320 4.7 38.7 1.0 ND2 A:ASN59 4.7 37.2 1.0 NE A:ARG320 4.8 38.2 1.0 CD1 A:PHE316 4.8 38.1 1.0 CG A:ARG320 4.9 38.1 1.0 CZ A:ARG320 4.9 39.2 1.0 C A:SER317 4.9 40.7 1.0 CG2 A:VAL321 5.0 35.3 1.0

Chlorine binding site 2 out of 4 in the Methanopyrus Kandleri Fen-1 Nuclease


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Methanopyrus Kandleri Fen-1 Nuclease within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:49.0 occ:1.00 O A:HOH507 2.8 39.3 1.0 O A:HOH510 3.0 39.7 1.0 O A:HOH505 3.1 36.5 1.0 NH2 A:ARG320 3.3 38.3 1.0 CB A:TYR63 4.3 31.1 1.0 CZ A:ARG320 4.3 39.2 1.0 OD1 A:ASN67 4.3 35.6 1.0 NE A:ARG320 4.4 38.2 1.0 NH1 A:ARG327 4.5 36.8 1.0 ND2 A:ASN67 4.5 34.3 1.0 NH2 A:ARG327 4.6 36.1 1.0 CG A:TYR63 4.6 32.1 1.0 CD1 A:TYR63 4.7 32.8 1.0 CG A:ASN67 4.9 33.7 1.0

Chlorine binding site 3 out of 4 in the Methanopyrus Kandleri Fen-1 Nuclease


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Methanopyrus Kandleri Fen-1 Nuclease within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:46.5 occ:1.00 O B:HOH510 2.9 42.5 1.0 O B:HOH505 3.1 34.6 1.0 NH2 B:ARG320 3.2 40.2 1.0 CB B:TYR63 4.2 32.2 1.0 CZ B:ARG320 4.2 41.0 1.0 OD1 B:ASN67 4.3 34.4 1.0 NE B:ARG320 4.3 39.9 1.0 NH1 B:ARG327 4.4 37.6 1.0 ND2 B:ASN67 4.5 34.4 1.0 CG B:TYR63 4.6 33.4 1.0 NH2 B:ARG327 4.6 36.9 1.0 CD1 B:TYR63 4.7 34.3 1.0 CG B:ASN67 4.9 34.8 1.0 O B:TYR63 5.0 32.3 1.0 CZ B:ARG327 5.0 37.1 1.0

Chlorine binding site 4 out of 4 in the Methanopyrus Kandleri Fen-1 Nuclease


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Methanopyrus Kandleri Fen-1 Nuclease within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:44.1 occ:1.00 OH B:TYR63 3.1 37.5 1.0 O B:HOH518 3.3 41.5 1.0 N B:SER317 3.3 46.5 1.0 CD2 B:PHE316 3.6 43.1 1.0 CB B:PHE316 3.8 45.0 1.0 CA B:PHE316 3.8 46.4 1.0 CE2 B:TYR63 3.8 37.1 1.0 CZ B:TYR63 3.9 37.0 1.0 CB B:SER317 3.9 47.0 1.0 CG B:PHE316 3.9 44.7 1.0 CD B:ARG320 3.9 40.8 1.0 C B:PHE316 4.0 46.8 1.0 NH1 B:ARG320 4.1 43.7 1.0 CA B:SER317 4.1 47.4 1.0 CE2 B:PHE316 4.5 42.5 1.0 O B:SER317 4.5 43.1 1.0 CB B:ARG320 4.6 40.8 1.0 CG B:ARG320 4.8 39.9 1.0 NE B:ARG320 4.8 39.9 1.0 ND2 B:ASN59 4.8 42.9 1.0 C B:SER317 4.8 46.2 1.0 CZ B:ARG320 4.9 41.0 1.0 CD1 B:PHE316 5.0 46.0 1.0 CG2 B:VAL321 5.0 40.2 1.0

S.Shah, P.Dunten, A.Stiteler, C.K.Park, N.C.Horton. Structure and Specificity of Fen-1 From Methanopyrus Kandleri. Proteins 2014.
ISSN: ESSN 1097-0134
PubMed: 25354467
DOI: 10.1002/PROT.24704