Copper in PDB 5emt: Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex

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

Resolution Low / High (Å)	63.62 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.250, 46.220, 63.830, 90.00, 94.62, 90.00
R / Rfree (%)	14.7 / 16.5

The binding sites of Copper atom in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex (pdb code 5emt). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 7 binding sites of Copper where determined in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex, PDB code: 5emt:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7;

Copper binding site 1 out of 7 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:35.6 occ:0.30 ND1 A:HIS59 1.4 7.5 1.0 ND1 A:HIS110 1.5 8.1 1.0 CG A:HIS59 2.4 7.0 1.0 CE1 A:HIS110 2.4 7.7 1.0 CE1 A:HIS59 2.5 6.2 1.0 CG A:HIS110 2.6 5.4 1.0 CB A:HIS59 2.8 7.9 1.0 CA A:HIS59 3.0 5.9 1.0 O A:GLY14 3.2 11.3 1.0 CB A:HIS110 3.2 5.9 1.0 O A:HOH309 3.3 9.4 1.0 NE2 A:HIS110 3.5 6.4 1.0 CD2 A:HIS59 3.5 7.2 1.0 NE2 A:HIS59 3.6 6.9 1.0 CD2 A:HIS110 3.6 5.3 1.0 N A:ILE60 3.7 6.9 1.0 C A:HIS59 3.8 7.2 1.0 CA A:HIS110 3.9 4.5 1.0 C A:GLY14 4.1 8.6 1.0 N A:HIS59 4.2 7.1 1.0 O A:ILE60 4.2 7.8 1.0 O A:LYS58 4.5 8.3 1.0 O A:TYR109 4.6 6.4 1.0 C A:ILE60 4.6 5.8 1.0 OG1 A:THR17 4.7 8.2 1.0 C A:LYS58 4.8 7.1 1.0 CA A:GLY14 4.8 12.6 1.0 O A:HIS59 4.8 10.4 1.0 CA A:ILE60 4.8 7.1 1.0 C A:HIS110 4.9 6.4 1.0 N A:HIS110 4.9 4.5 1.0

Copper binding site 2 out of 7 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:55.8 occ:0.50 NE2 A:HIS122 2.2 21.7 1.0 O A:HOH349 2.9 16.8 1.0 CD2 A:HIS122 3.1 16.5 1.0 CE1 A:HIS122 3.1 10.8 1.0 O B:HOH391 4.1 29.8 1.0 NH1 A:ARG119 4.2 8.1 1.0 ND1 A:HIS122 4.2 11.6 1.0 CG A:HIS122 4.3 10.5 1.0 O A:GLN120 4.7 8.4 1.0 CZ A:ARG119 4.9 7.3 1.0 CD A:ARG119 5.0 8.5 1.0

Copper binding site 3 out of 7 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu203 b:43.5 occ:0.30 NE2 A:HIS112 1.9 11.9 1.0 NE2 A:HIS114 2.5 8.4 1.0 CD2 A:HIS112 2.6 8.8 1.0 CE1 A:HIS114 3.0 6.9 1.0 O A:HOH398 3.0 23.2 1.0 CE1 A:HIS112 3.1 8.1 1.0 CD2 A:HIS114 3.6 8.2 1.0 OG A:SER107 3.8 26.4 1.0 CG A:HIS112 3.9 6.2 1.0 O A:HOH329 4.0 9.2 1.0 ND1 A:HIS112 4.0 6.6 1.0 ND2 A:ASN99 4.1 9.3 1.0 ND1 A:HIS114 4.2 5.8 1.0 O A:HOH305 4.2 15.5 1.0 CG A:HIS114 4.5 4.9 1.0 N A:SER107 4.7 12.8 1.0 CD2 A:LEU53 4.8 12.8 1.0

Copper binding site 4 out of 7 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu204 b:15.6 occ:0.50 O A:HOH414 3.0 20.4 1.0 O A:HOH309 3.1 9.4 1.0 N A:ASP16 3.4 7.5 1.0 CE1 A:HIS59 3.6 6.2 1.0 NE2 A:HIS59 3.6 6.9 1.0 CA A:GLY15 3.6 9.4 1.0 CG2 A:THR17 3.8 9.9 1.0 N A:THR17 3.9 7.0 1.0 C A:GLY15 4.0 9.3 1.0 ND1 A:HIS59 4.1 7.5 1.0 CD2 A:HIS59 4.2 7.2 1.0 CG A:HIS59 4.4 7.0 1.0 CA A:ASP16 4.5 8.2 1.0 C A:ASP16 4.6 7.3 1.0 O A:GLY14 4.8 11.3 1.0 CB A:THR17 4.8 7.1 1.0 N A:GLY15 4.9 11.8 1.0 CA A:THR17 4.9 5.8 1.0 O A:HOH412 5.0 27.1 1.0

Copper binding site 5 out of 7 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:13.0 occ:0.30 NE2 B:HIS112 2.6 14.3 1.0 ND2 B:ASN99 3.2 9.7 1.0 N B:SER107 3.2 5.8 1.0 CE1 B:HIS112 3.2 10.6 1.0 NE2 B:HIS114 3.4 9.1 1.0 O B:HOH337 3.4 6.4 1.0 OG B:SER107 3.4 16.6 1.0 CA B:GLN106 3.6 4.4 1.0 CD2 B:HIS112 3.7 9.6 1.0 CB B:ASN99 3.8 5.8 1.0 C B:GLN106 3.9 6.7 1.0 O B:GLY105 3.9 7.9 1.0 CG B:ASN99 3.9 6.9 1.0 CB B:SER107 4.1 8.7 1.0 CA B:SER107 4.2 5.2 1.0 CG B:GLN106 4.3 5.6 1.0 CD2 B:HIS114 4.3 9.4 1.0 CE1 B:HIS114 4.3 7.4 1.0 ND1 B:HIS112 4.4 7.8 1.0 CB B:GLN106 4.4 6.0 1.0 N B:GLN106 4.5 6.3 1.0 C B:GLY105 4.6 8.1 1.0 N B:VAL108 4.7 7.4 1.0 CG B:HIS112 4.7 7.8 1.0 CA B:ASN99 4.9 5.5 1.0 N B:ASN99 5.0 4.5 1.0 C B:SER107 5.0 8.6 1.0

Copper binding site 6 out of 7 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu202 b:53.3 occ:0.50 NE2 B:HIS122 2.0 22.1 1.0 O B:HOH328 2.6 22.5 1.0 CE1 B:HIS122 2.9 17.4 1.0 CD2 B:HIS122 3.1 20.1 1.0 ND1 B:HIS122 4.0 18.1 1.0 CG B:HIS122 4.1 12.7 1.0 O B:GLN120 4.4 10.1 1.0 NH1 B:ARG119 4.7 8.5 1.0 O A:HOH390 4.9 27.0 1.0

Copper binding site 7 out of 7 in the Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Human Histidine Triad Nucleotide Binding Protein 1 (HHINT1)-Copper Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu203 b:32.6 occ:0.30 ND1 B:HIS59 1.3 31.7 1.0 ND1 B:HIS110 1.9 9.3 1.0 CG B:HIS59 2.2 21.9 1.0 CE1 B:HIS59 2.2 18.8 1.0 O B:HOH316 2.5 8.8 1.0 CE1 B:HIS110 2.7 10.3 1.0 CB B:HIS59 2.9 12.2 1.0 CG B:HIS110 2.9 6.6 1.0 NE2 B:HIS59 3.2 33.7 1.0 CD2 B:HIS59 3.2 36.0 1.0 CA B:HIS59 3.3 8.8 1.0 CB B:HIS110 3.5 6.1 1.0 O B:HOH416 3.5 28.7 1.0 NE2 B:HIS110 3.8 8.1 1.0 CD2 B:HIS110 3.9 10.7 1.0 O B:HOH303 3.9 35.5 1.0 C B:HIS59 4.1 16.2 1.0 CA B:HIS110 4.1 6.1 1.0 O B:TYR109 4.4 7.3 1.0 N B:ILE60 4.5 8.9 1.0 N B:HIS59 4.5 10.2 1.0 OG1 B:THR17 4.6 8.9 1.0 O B:ILE60 4.7 9.3 1.0 O B:HIS59 4.7 18.8 1.0 O B:LYS58 5.0 10.8 1.0

R.Shah, T.F.Chou, K.M.Maize, A.Strom, B.C.Finzel, C.R.Wagner. Inhibition By Divalent Metal Ions of Human Histidine Triad Nucleotide Binding PROTEIN1 (HHINT1), A Regulator of Opioid Analgesia and Neuropathic Pain. Biochem. Biophys. Res. V. 491 760 2017COMMUN..
ISSN: ESSN 1090-2104
PubMed: 28739258
DOI: 10.1016/J.BBRC.2017.07.111