Chlorine in PDB 1ihn: MT938

The structure of MT938, PDB code: 1ihn was solved by K.Das, G.T.Montelione, E.Arnold, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.630, 63.630, 116.800, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 26.6

The binding sites of Chlorine atom in the MT938 (pdb code 1ihn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the MT938, PDB code: 1ihn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the MT938


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of MT938 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:26.1 occ:1.00 OG A:SER54 3.1 35.8 1.0 CE1 A:HIS118 3.5 33.8 1.0 NH1 A:ARG42 3.7 29.9 1.0 O A:SER54 3.7 25.8 1.0 CB A:SER54 3.9 26.2 1.0 C A:SER54 3.9 30.8 1.0 ND1 A:HIS55 3.9 65.8 1.0 CE A:LYS44 3.9 49.7 1.0 ND1 A:HIS118 4.2 35.3 1.0 CD A:LYS44 4.2 37.6 1.0 N A:HIS55 4.2 33.8 1.0 NE2 A:HIS118 4.3 40.5 1.0 CA A:SER54 4.5 31.7 1.0 CA A:HIS55 4.5 34.5 1.0 CE1 A:HIS55 4.5 72.7 1.0 OD2 A:ASP30 4.6 27.6 1.0 CZ A:ARG42 4.7 26.3 1.0 NH2 A:ARG42 4.8 21.9 1.0 CG A:HIS55 4.9 58.8 1.0 CG A:LYS44 5.0 33.6 1.0

Chlorine binding site 2 out of 5 in the MT938


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of MT938 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4 b:29.8 occ:1.00 OG A:SER29 3.2 56.2 1.0 O A:HOH155 3.9 45.2 1.0 CD2 A:TYR27 4.0 30.4 1.0 CG B:PRO41 4.2 29.4 1.0 CG A:PRO41 4.2 35.6 1.0 CG2 A:ILE31 4.2 20.0 1.0 CB B:PRO41 4.4 29.8 1.0 CE2 A:TYR27 4.5 30.9 1.0 CB A:PRO41 4.5 31.3 1.0 CA A:PRO41 4.6 29.5 1.0 CB A:SER29 4.6 41.7 1.0 N A:PRO41 4.9 25.9 1.0 O A:ASP30 4.9 27.1 1.0

Chlorine binding site 3 out of 5 in the MT938


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of MT938 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:27.0 occ:1.00 OG B:SER54 2.7 41.4 1.0 CB B:SER54 3.5 36.5 1.0 ND1 B:HIS55 3.7 71.0 1.0 NE2 B:HIS118 3.7 32.9 1.0 C B:SER54 3.7 39.0 1.0 NH1 B:ARG42 3.8 27.7 1.0 O B:SER54 3.8 42.4 1.0 N B:HIS55 3.9 36.7 1.0 CE1 B:HIS55 4.2 75.8 1.0 CD2 B:HIS118 4.2 30.4 1.0 CA B:SER54 4.2 39.4 1.0 CA B:HIS55 4.3 40.2 1.0 OD2 B:ASP30 4.5 22.8 1.0 CE1 B:HIS118 4.5 29.3 1.0 CG B:HIS55 4.6 61.7 1.0 CD B:LYS44 4.6 22.1 1.0 O B:HOH154 4.6 48.8 1.0 CE B:LYS44 4.7 39.7 1.0 CZ B:ARG42 4.8 28.2 1.0 N B:SER54 4.9 37.6 1.0 CB B:HIS55 4.9 43.2 1.0 O B:HOH146 5.0 38.3 1.0 NH2 B:ARG42 5.0 29.6 1.0

Chlorine binding site 4 out of 5 in the MT938


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of MT938 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3 b:30.1 occ:1.00 NH1 B:ARG112 3.8 63.6 1.0 CZ B:ARG112 4.1 57.6 1.0 NH2 B:ARG112 4.4 62.3 1.0 CB B:LYS69 4.4 40.8 1.0 O B:LYS69 4.5 41.1 1.0 CD B:LYS69 4.6 50.6 1.0 NE B:ARG112 4.7 62.2 1.0

Chlorine binding site 5 out of 5 in the MT938


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of MT938 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5 b:34.5 occ:1.00 O A:HOH135 2.6 41.4 1.0 OG B:SER29 3.3 43.8 1.0 O B:HOH144 3.4 37.5 1.0 N B:ARG28 3.8 33.2 1.0 CD2 B:TYR27 3.9 23.8 1.0 CD A:PRO41 4.0 29.9 1.0 CA B:TYR27 4.1 31.8 1.0 N B:SER29 4.3 29.3 1.0 CB B:TYR27 4.3 32.4 1.0 CB A:THR40 4.4 28.2 1.0 CG2 A:THR40 4.4 28.8 1.0 C B:TYR27 4.4 34.8 1.0 CB B:SER29 4.6 27.7 1.0 CG B:TYR27 4.6 29.0 1.0 CA B:ARG28 4.8 35.6 1.0 C B:ARG28 4.9 30.2 1.0 CG A:PRO41 4.9 35.6 1.0 CE2 B:TYR27 4.9 25.7 1.0 O B:GLU26 4.9 38.1 1.0 CA B:SER29 5.0 29.3 1.0

K.Das, R.Xiao, E.Wahlberg, F.Hsu, C.H.Arrowsmith, G.T.Montelione, E.Arnold. X-Ray Crystal Structure of MTH938 From Methanobacterium Thermoautotrophicum at 2.2 A Resolution Reveals A Novel Tertiary Protein Fold. Proteins V. 45 486 2001.
ISSN: ISSN 0887-3585
PubMed: 11746696
DOI: 10.1002/PROT.1162