Chlorine in PDB 2p0k: Crystal Structure of SCMH1

The structure of Crystal Structure of SCMH1, PDB code: 2p0k was solved by N.Herzanych, G.Senisterra, Y.Liu, L.Crombet, P.Loppnau, I.Kozieradzki, M.Vedadi, J.Weigelt, M.Sundstrom, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, J.Min, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.05 / 1.75
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	95.735, 95.735, 43.602, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 20.4

The binding sites of Chlorine atom in the Crystal Structure of SCMH1 (pdb code 2p0k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of SCMH1, PDB code: 2p0k:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of SCMH1


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 SCMH1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:52.6 occ:1.00 O A:HOH490 3.3 31.6 1.0 ND2 A:ASN115 3.4 21.9 1.0 NZ A:LYS118 3.5 43.4 1.0 CE A:LYS118 3.5 40.5 1.0 CB A:ASN115 4.1 23.1 1.0 CA A:ASN115 4.2 23.4 1.0 CG A:ASN115 4.2 25.8 1.0 CG A:PRO112 4.3 20.8 1.0 CD A:PRO112 4.5 19.7 1.0 O A:HOH591 4.7 52.3 1.0 N A:ASN115 4.7 22.1 1.0 CD1 A:ILE152 4.7 20.0 1.0 CG2 A:ILE152 4.7 20.9 1.0 CD A:LYS118 4.8 37.0 1.0 CB A:PRO112 4.8 20.0 1.0 CG1 A:ILE152 4.9 19.7 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of SCMH1


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 SCMH1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:61.3 occ:1.00 OD1 A:ASN145 3.5 29.6 1.0 ND2 A:ASN145 4.2 25.2 1.0 CG A:ASN145 4.3 21.2 1.0 O A:HOH489 4.6 33.6 1.0 O A:HOH468 4.7 26.2 1.0 O A:HOH507 4.9 29.6 0.3

Chlorine binding site 3 out of 6 in the Crystal Structure of SCMH1


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 SCMH1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:40.3 occ:1.00 N A:GLY194 3.2 18.1 1.0 CA A:GLY194 3.9 18.5 1.0 C A:ARG193 4.1 19.3 1.0 CA A:ARG193 4.1 19.4 1.0 O A:VAL192 4.9 20.9 1.0 CB A:ARG193 5.0 19.8 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of SCMH1


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 SCMH1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:55.4 occ:1.00 O A:HOH593 2.2 44.6 1.0 O A:HOH484 2.5 43.8 1.0 O A:PHE47 2.9 13.1 1.0 O A:PRO160 3.4 14.5 1.0 O A:HOH456 3.5 31.7 1.0 C A:PHE47 4.1 12.9 1.0 CE1 A:TYR51 4.3 24.3 1.0 CG A:PRO162 4.3 15.7 1.0 O A:GLN49 4.4 16.9 1.0 N A:PRO162 4.4 15.2 1.0 OH A:TYR51 4.4 24.9 1.0 CD A:PRO162 4.5 14.5 1.0 C A:PRO160 4.5 16.3 1.0 O A:HIS45 4.5 15.6 1.0 C A:SER161 4.6 15.3 1.0 CZ A:TYR51 4.7 25.5 1.0 CA A:LYS48 4.7 13.3 1.0 CG A:PRO160 4.7 19.4 1.0 O A:HOH594 4.7 40.5 1.0 N A:GLN49 4.7 15.0 1.0 CA A:PRO162 4.8 15.6 1.0 N A:LYS48 4.8 13.5 1.0 O A:VAL44 4.8 16.3 1.0 CA A:HIS45 4.9 16.2 1.0 C A:HIS45 4.9 14.8 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of SCMH1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of SCMH1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:37.3 occ:1.00 NZ A:LYS63 2.9 18.1 1.0 O2 A:PO4401 3.1 37.2 1.0 OD1 A:ASP93 3.7 22.8 1.0 O4 A:PO4401 3.7 34.8 1.0 CE A:LYS63 3.8 16.1 1.0 P A:PO4401 4.0 41.2 1.0 O A:HOH439 4.1 25.0 1.0 O A:HOH413 4.3 22.2 1.0 O3 A:PO4401 4.7 40.0 1.0 CG2 A:THR143 4.7 18.8 1.0 CG A:ASP93 4.9 20.1 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of SCMH1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of SCMH1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:27.8 occ:0.33 CA A:MET138 3.5 21.4 1.0 CB A:MET138 3.6 21.4 1.0 CG A:MET138 3.9 22.1 1.0 CD2 A:LEU141 4.1 22.8 1.0 N A:MET138 4.3 21.1 1.0 C A:MET138 4.7 20.9 1.0 O A:MET138 4.8 19.2 1.0 C A:PRO137 5.0 20.7 1.0

N.Herzanych, G.Senisterra, Y.Liu, L.Crombet, P.Loppnau, I.Kozieradzki, M.Vedadi, J.Weigelt, M.Sundstrom, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, J.Min. Structure of SCMH1 To Be Published.