Chlorine in PDB 5km2: Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Cmp Catalytic Product Complex

The structure of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Cmp Catalytic Product Complex, PDB code: 5km2 was solved by K.M.Maize, B.C.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.91 / 1.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.463, 46.208, 64.108, 90.00, 94.49, 90.00
R / Rfree (%)	15.7 / 17.3

The binding sites of Chlorine atom in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Cmp Catalytic Product Complex (pdb code 5km2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Cmp Catalytic Product Complex, PDB code: 5km2:

Chlorine binding site 1 out of 1 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Cmp Catalytic Product Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Cmp Catalytic Product Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:20.9 occ:1.00 NE2 B:HIS112 2.7 11.4 1.0 ND2 B:ASN99 3.0 10.0 1.0 N B:SER107 3.1 6.1 1.0 O B:HOH401 3.3 25.1 1.0 NE2 B:HIS114 3.3 10.7 1.0 OG B:SER107 3.4 14.8 1.0 CE1 B:HIS112 3.4 8.8 1.0 CA B:GLN106 3.6 6.9 1.0 O B:HOH330 3.7 7.4 1.0 O B:GLY105 3.7 7.8 1.0 CB B:ASN99 3.8 6.4 1.0 CD2 B:HIS112 3.8 9.7 1.0 CG B:ASN99 3.8 7.8 1.0 C B:GLN106 3.9 8.4 1.0 CB B:SER107 4.0 10.0 1.0 CE1 B:HIS114 4.1 9.0 1.0 CA B:SER107 4.1 6.7 1.0 CD2 B:HIS114 4.3 8.9 1.0 C B:GLY105 4.5 7.0 1.0 CG B:GLN106 4.5 7.8 1.0 N B:GLN106 4.5 6.3 1.0 CB B:GLN106 4.6 7.3 1.0 ND1 B:HIS112 4.6 7.8 1.0 N B:VAL108 4.7 7.7 1.0 CG B:HIS112 4.8 7.9 1.0

K.M.Maize, R.Shah, A.Strom, S.Kumarapperuma, A.Zhou, C.R.Wagner, B.C.Finzel. A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1) Activated Protides. Mol. Pharm. V. 14 3987 2017.
ISSN: ISSN 1543-8392
PubMed: 28968488
DOI: 10.1021/ACS.MOLPHARMACEUT.7B00664