Copper in PDB 5tb7: Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121

The structure of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121, PDB code: 5tb7 was solved by A.Hamza, Z.A.Williamson, R.W.Reed, A.E.Sikora, K.V.Korotkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.58 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.230, 129.100, 136.720, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 17.9

The binding sites of Copper atom in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121 (pdb code 5tb7). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121, PDB code: 5tb7:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:28.7 occ:1.00 ND1 A:HIS183 2.0 29.1 1.0 ND1 A:HIS134 2.1 29.6 1.0 SG A:CYS175 2.2 26.0 1.0 SD A:MET188 2.7 34.2 1.0 CE1 A:HIS183 2.9 30.7 1.0 HE1 A:HIS183 3.0 36.9 1.0 HB3 A:HIS183 3.0 33.7 1.0 CE1 A:HIS134 3.1 29.7 1.0 HA A:HIS134 3.1 30.5 1.0 CG A:HIS183 3.1 32.8 1.0 CB A:CYS175 3.2 26.3 1.0 CG A:HIS134 3.2 26.9 1.0 HB3 A:HIS134 3.2 28.0 1.0 HE1 A:HIS134 3.2 35.7 1.0 HB3 A:CYS175 3.2 31.6 1.0 HB2 A:CYS175 3.2 31.6 1.0 HE1 A:MET188 3.3 27.1 1.0 CE A:MET188 3.5 22.6 1.0 CB A:HIS134 3.5 23.3 1.0 CB A:HIS183 3.6 28.0 1.0 HB A:VAL177 3.6 35.7 1.0 HE3 A:TRP101 3.8 34.8 1.0 CA A:HIS134 3.8 25.4 1.0 HE2 A:MET188 3.9 27.1 1.0 H A:ASN135 4.0 29.5 1.0 NE2 A:HIS183 4.0 31.1 1.0 O A:PRO133 4.0 25.8 1.0 CD2 A:HIS183 4.2 34.5 1.0 NE2 A:HIS134 4.2 28.3 1.0 H A:VAL177 4.2 32.1 1.0 HB2 A:HIS183 4.3 33.7 1.0 CD2 A:HIS134 4.3 30.1 1.0 CG A:MET188 4.3 34.3 1.0 HG23 A:VAL177 4.3 33.8 1.0 HA A:HIS183 4.3 34.8 1.0 HE3 A:MET188 4.3 27.1 1.0 HG21 A:VAL177 4.4 33.8 1.0 CE3 A:TRP101 4.4 29.0 1.0 HB2 A:HIS134 4.5 28.0 1.0 CB A:VAL177 4.5 29.7 1.0 HG3 A:MET188 4.6 41.2 1.0 CA A:HIS183 4.6 28.9 1.0 HB2 A:MET188 4.6 33.7 1.0 HZ3 A:TRP101 4.6 41.1 1.0 CA A:CYS175 4.6 24.9 1.0 CG2 A:VAL177 4.6 28.1 1.0 HB3 A:MET188 4.6 33.7 1.0 N A:ASN135 4.6 24.6 1.0 HG23 A:VAL132 4.7 34.8 1.0 HB3 A:TRP101 4.7 32.9 1.0 N A:HIS134 4.8 27.4 1.0 CB A:MET188 4.8 28.1 1.0 HE2 A:HIS183 4.8 37.3 1.0 C A:HIS134 4.8 25.4 1.0 C A:PRO133 4.8 27.7 1.0 HA A:CYS175 4.8 30.0 1.0 CZ3 A:TRP101 4.9 34.2 1.0 HG2 A:MET188 4.9 41.2 1.0 HE2 A:HIS134 5.0 34.0 1.0

Copper binding site 2 out of 6 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu502 b:32.9 occ:1.00 NE2 A:HIS174 2.0 28.2 1.0 NE2 A:HIS139 2.1 25.0 1.0 NE2 B:HIS329 2.2 27.0 1.0 O A:HOH670 2.4 29.4 1.0 CE1 A:HIS139 2.9 23.9 1.0 CD2 A:HIS174 2.9 26.9 1.0 HE1 A:HIS139 3.0 28.8 1.0 HD2 A:HIS174 3.0 32.3 1.0 CE1 A:HIS174 3.1 25.8 1.0 CE1 B:HIS329 3.1 27.9 1.0 CD2 B:HIS329 3.2 25.1 1.0 CD2 A:HIS139 3.2 22.6 1.0 HE1 B:HIS329 3.3 33.5 1.0 HD2 B:HIS329 3.3 30.2 1.0 HE1 A:HIS174 3.3 31.0 1.0 HD2 A:HIS139 3.5 27.2 1.0 OD2 A:ASP137 3.9 33.7 1.0 NE2 B:HIS280 4.0 26.9 1.0 HD2 B:HIS280 4.0 30.4 1.0 ND1 A:HIS139 4.1 21.7 1.0 CG A:HIS174 4.1 23.7 1.0 CD2 B:HIS280 4.1 25.3 1.0 ND1 A:HIS174 4.1 29.0 1.0 ND1 B:HIS329 4.3 25.4 1.0 CG A:HIS139 4.3 23.1 1.0 CG B:HIS329 4.3 24.5 1.0 HG12 B:ILE282 4.4 33.2 1.0 CG A:ASP137 4.6 29.2 1.0 HG22 A:ILE172 4.7 28.2 1.0 HD13 B:ILE331 4.7 40.0 1.0 CE1 B:HIS280 4.7 28.1 1.0 HD1 A:HIS139 4.8 26.1 1.0 HG21 A:ILE172 4.8 28.2 1.0 HA3 A:GLY309 4.9 28.4 1.0 OD1 A:ASP137 4.9 27.3 1.0 O A:HOH685 4.9 26.3 1.0 HD1 A:HIS174 4.9 34.8 1.0 HB3 A:ASP137 4.9 30.6 1.0 HD11 A:ILE184 5.0 36.5 1.0

Copper binding site 3 out of 6 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu505 b:35.5 occ:1.00 NE2 C:HIS174 2.1 29.4 1.0 NE2 C:HIS139 2.1 29.3 1.0 NE2 A:HIS329 2.1 25.6 1.0 O C:HOH643 2.4 33.6 1.0 CD2 C:HIS174 2.9 28.2 1.0 HD2 C:HIS174 3.0 33.9 1.0 CE1 C:HIS139 3.0 28.7 1.0 CD2 A:HIS329 3.1 29.7 1.0 HE1 C:HIS139 3.1 34.5 1.0 CE1 C:HIS174 3.2 29.8 1.0 CE1 A:HIS329 3.2 29.4 1.0 CD2 C:HIS139 3.2 25.7 1.0 HD2 A:HIS329 3.2 35.7 1.0 HE1 A:HIS329 3.4 35.3 1.0 HD2 C:HIS139 3.4 30.9 1.0 HE1 C:HIS174 3.4 35.7 1.0 OD2 C:ASP137 3.9 42.0 1.0 NE2 A:HIS280 4.0 25.9 1.0 HD2 A:HIS280 4.0 32.8 1.0 CG C:HIS174 4.1 27.3 1.0 CD2 A:HIS280 4.1 27.3 1.0 ND1 C:HIS139 4.2 26.0 1.0 ND1 C:HIS174 4.2 27.5 1.0 ND1 A:HIS329 4.3 28.7 1.0 CG A:HIS329 4.3 26.6 1.0 CG C:HIS139 4.3 24.0 1.0 HG12 A:ILE282 4.4 32.6 1.0 CG C:ASP137 4.5 32.0 1.0 HG22 C:ILE172 4.7 28.4 1.0 OD1 C:ASP137 4.7 30.0 1.0 CE1 A:HIS280 4.8 28.8 1.0 O C:HOH682 4.8 32.1 1.0 HA3 C:GLY309 4.8 31.1 1.0 HD13 A:ILE331 4.8 42.9 1.0 HG21 C:ILE172 4.9 28.4 1.0 HD1 C:HIS139 4.9 31.2 1.0 HB3 C:ASP137 5.0 33.3 1.0 HD1 C:HIS174 5.0 33.0 1.0 CG A:HIS280 5.0 27.8 1.0

Copper binding site 4 out of 6 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu501 b:30.3 occ:1.00 ND1 B:HIS183 2.1 27.9 1.0 ND1 B:HIS134 2.1 27.5 1.0 SG B:CYS175 2.2 29.1 1.0 SD B:MET188 2.6 39.3 1.0 HB3 B:HIS183 2.9 35.6 1.0 CE1 B:HIS183 2.9 32.5 1.0 CE1 B:HIS134 3.0 30.8 1.0 HA B:HIS134 3.1 35.1 1.0 HE1 B:HIS183 3.1 39.0 1.0 HE1 B:HIS134 3.1 37.0 1.0 CG B:HIS183 3.1 33.5 1.0 CG B:HIS134 3.1 28.2 1.0 CB B:CYS175 3.2 29.3 1.0 HE1 B:MET188 3.2 30.0 1.0 HB3 B:CYS175 3.2 35.2 1.0 HB3 B:HIS134 3.2 33.8 1.0 HB2 B:CYS175 3.3 35.2 1.0 CE B:MET188 3.5 25.0 1.0 CB B:HIS134 3.5 28.2 1.0 CB B:HIS183 3.5 29.7 1.0 HB B:VAL177 3.7 42.7 1.0 CA B:HIS134 3.7 29.2 1.0 HE2 B:MET188 3.8 30.0 1.0 HE3 B:TRP101 3.8 36.6 1.0 H B:ASN135 3.9 31.6 1.0 O B:PRO133 4.0 28.0 1.0 NE2 B:HIS183 4.1 33.1 1.0 NE2 B:HIS134 4.1 31.4 1.0 CD2 B:HIS183 4.2 35.6 1.0 HB2 B:HIS183 4.2 35.6 1.0 CD2 B:HIS134 4.2 28.4 1.0 H B:VAL177 4.3 39.5 1.0 CG B:MET188 4.3 35.2 1.0 HE3 B:MET188 4.3 30.0 1.0 HG23 B:VAL177 4.3 37.8 1.0 HA B:HIS183 4.3 36.5 1.0 HG21 B:VAL177 4.4 37.8 1.0 HB2 B:HIS134 4.5 33.8 1.0 CE3 B:TRP101 4.5 30.5 1.0 HG3 B:MET188 4.5 42.2 1.0 CA B:HIS183 4.5 30.4 1.0 CB B:VAL177 4.6 35.6 1.0 N B:ASN135 4.6 26.4 1.0 HB2 B:MET188 4.6 30.4 1.0 HB3 B:MET188 4.6 30.4 1.0 CA B:CYS175 4.6 25.9 1.0 CG2 B:VAL177 4.6 31.4 1.0 HZ3 B:TRP101 4.6 38.6 1.0 N B:HIS134 4.7 29.3 1.0 HG23 B:VAL132 4.7 41.3 1.0 C B:HIS134 4.8 31.7 1.0 HB3 B:TRP101 4.8 34.6 1.0 CB B:MET188 4.8 25.4 1.0 C B:PRO133 4.8 31.1 1.0 HE2 B:HIS183 4.8 39.7 1.0 HA B:CYS175 4.9 31.2 1.0 HE2 B:HIS134 4.9 37.7 1.0 HG2 B:MET188 4.9 42.2 1.0 CZ3 B:TRP101 4.9 32.2 1.0

Copper binding site 5 out of 6 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu502 b:36.4 occ:1.00 NE2 B:HIS174 2.1 31.7 1.0 NE2 B:HIS139 2.1 27.3 1.0 NE2 C:HIS329 2.1 31.0 1.0 O B:HOH639 2.3 37.1 1.0 CD2 B:HIS174 2.9 30.6 1.0 CE1 B:HIS139 2.9 26.6 1.0 HD2 B:HIS174 3.0 36.7 1.0 HE1 B:HIS139 3.0 31.9 1.0 CE1 C:HIS329 3.1 31.0 1.0 CD2 C:HIS329 3.2 28.3 1.0 CE1 B:HIS174 3.2 31.6 1.0 CD2 B:HIS139 3.2 27.7 1.0 HE1 C:HIS329 3.3 37.2 1.0 HD2 C:HIS329 3.3 34.0 1.0 HE1 B:HIS174 3.5 38.0 1.0 HD2 B:HIS139 3.5 33.2 1.0 OD2 B:ASP137 3.8 41.1 1.0 HD2 C:HIS280 4.0 37.9 1.0 NE2 C:HIS280 4.0 31.0 1.0 ND1 B:HIS139 4.1 28.3 1.0 CD2 C:HIS280 4.1 31.6 1.0 CG B:HIS174 4.1 28.8 1.0 ND1 B:HIS174 4.2 32.7 1.0 ND1 C:HIS329 4.2 27.7 1.0 CG B:HIS139 4.3 24.8 1.0 CG C:HIS329 4.3 26.5 1.0 HG12 C:ILE282 4.3 42.5 1.0 CG B:ASP137 4.4 34.9 1.0 HD13 C:ILE331 4.7 42.3 1.0 OD1 B:ASP137 4.8 32.9 1.0 CE1 C:HIS280 4.8 30.2 1.0 HG22 B:ILE172 4.8 31.8 1.0 HA3 B:GLY309 4.9 28.6 1.0 HD1 B:HIS139 4.9 33.9 1.0 O B:HOH694 4.9 30.9 1.0 HB3 B:ASP137 4.9 32.8 1.0 HG21 B:ILE172 5.0 31.8 1.0

Copper binding site 6 out of 6 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu501 b:29.6 occ:1.00 ND1 C:HIS183 2.1 28.6 1.0 ND1 C:HIS134 2.1 26.7 1.0 SG C:CYS175 2.2 27.0 1.0 SD C:MET188 2.6 36.9 1.0 HB3 C:HIS183 2.9 34.8 1.0 CE1 C:HIS183 3.0 28.5 1.0 CE1 C:HIS134 3.1 28.2 1.0 HA C:HIS134 3.1 33.3 1.0 HB3 C:HIS134 3.1 31.2 1.0 CG C:HIS183 3.1 26.8 1.0 CG C:HIS134 3.1 26.1 1.0 HE1 C:HIS183 3.1 34.2 1.0 CB C:CYS175 3.1 28.5 1.0 HB3 C:CYS175 3.1 34.2 1.0 HE1 C:MET188 3.2 28.6 1.0 HE1 C:HIS134 3.2 33.9 1.0 HB2 C:CYS175 3.2 34.2 1.0 CE C:MET188 3.4 23.8 1.0 CB C:HIS134 3.4 26.0 1.0 CB C:HIS183 3.5 29.0 1.0 HB C:VAL177 3.7 34.2 1.0 CA C:HIS134 3.7 27.7 1.0 HE2 C:MET188 3.8 28.6 1.0 HE3 C:TRP101 3.8 33.6 1.0 H C:ASN135 3.9 32.4 1.0 O C:PRO133 4.0 27.0 1.0 NE2 C:HIS183 4.1 29.3 1.0 HB2 C:HIS183 4.2 34.8 1.0 NE2 C:HIS134 4.2 28.3 1.0 CD2 C:HIS183 4.2 30.5 1.0 H C:VAL177 4.2 34.8 1.0 CG C:MET188 4.2 35.2 1.0 HG23 C:VAL177 4.2 33.4 1.0 CD2 C:HIS134 4.2 25.1 1.0 HE3 C:MET188 4.3 28.6 1.0 HA C:HIS183 4.3 31.6 1.0 HG21 C:VAL177 4.4 33.4 1.0 HB2 C:HIS134 4.4 31.2 1.0 HG3 C:MET188 4.5 42.2 1.0 CA C:HIS183 4.5 26.3 1.0 CE3 C:TRP101 4.5 28.0 1.0 CB C:VAL177 4.5 28.5 1.0 N C:ASN135 4.6 26.9 1.0 CA C:CYS175 4.6 25.5 1.0 CG2 C:VAL177 4.6 27.8 1.0 HB2 C:MET188 4.6 30.7 1.0 HB3 C:MET188 4.6 30.7 1.0 HZ3 C:TRP101 4.6 35.9 1.0 N C:HIS134 4.7 28.6 1.0 C C:HIS134 4.7 29.8 1.0 HG23 C:VAL132 4.7 36.6 1.0 HB3 C:TRP101 4.8 35.2 1.0 CB C:MET188 4.8 25.6 1.0 C C:PRO133 4.8 30.3 1.0 HA C:CYS175 4.8 30.6 1.0 HE2 C:HIS183 4.9 35.2 1.0 HG2 C:MET188 4.9 42.2 1.0 CZ3 C:TRP101 4.9 29.9 1.0 HE2 C:HIS134 5.0 34.0 1.0

A.E.Sikora, R.H.Mills, J.V.Weber, A.Hamza, B.W.Passow, A.Romaine, Z.A.Williamson, R.W.Reed, R.A.Zielke, K.V.Korotkov. Peptide Inhibitors Targeting the Neisseria Gonorrhoeae Pivotal Anaerobic Respiration Factor Ania. Antimicrob. Agents V. 61 2017CHEMOTHER..
ISSN: ESSN 1098-6596
PubMed: 28584144
DOI: 10.1128/AAC.00186-17