Copper in PDB 1kbw: Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae

The structure of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae, PDB code: 1kbw was solved by M.J.Boulanger, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	66.230, 99.550, 103.710, 83.55, 73.70, 73.01
R / Rfree (%)	21.1 / 23.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Copper atom in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae (pdb code 1kbw). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 12 binding sites of Copper where determined in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae, PDB code: 1kbw:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:18.9 occ:1.00 ND1 A:HIS143 1.8 22.6 1.0 ND1 A:HIS94 2.0 16.9 1.0 SG A:CYS135 2.2 19.2 1.0 SD A:MET148 2.7 26.9 1.0 CE1 A:HIS94 2.7 18.1 1.0 CE1 A:HIS143 2.7 19.9 1.0 CG A:HIS143 2.9 21.1 1.0 CB A:CYS135 3.2 19.4 1.0 CG A:HIS94 3.2 16.5 1.0 CB A:HIS143 3.4 20.9 1.0 CB A:HIS94 3.8 17.0 1.0 CE A:MET148 3.8 22.7 1.0 NE2 A:HIS143 3.9 22.0 1.0 CA A:HIS94 3.9 17.4 1.0 NE2 A:HIS94 3.9 16.7 1.0 O A:PRO93 3.9 16.6 1.0 CD2 A:HIS143 4.0 20.9 1.0 CG A:MET148 4.2 23.2 1.0 CD2 A:HIS94 4.2 15.9 1.0 CE3 A:TRP61 4.3 18.0 1.0 CA A:HIS143 4.4 20.0 1.0 CB A:VAL137 4.6 21.5 1.0 CA A:CYS135 4.6 19.1 1.0 CG2 A:VAL137 4.7 21.0 1.0 CB A:MET148 4.7 20.4 1.0 N A:ASN95 4.7 17.0 1.0 CZ3 A:TRP61 4.8 18.4 1.0 C A:PRO93 4.8 18.6 1.0 N A:HIS94 4.8 18.0 1.0 C A:HIS94 4.9 18.1 1.0 O A:HIS143 4.9 19.4 1.0

Copper binding site 2 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu502 b:29.3 occ:1.00 NE2 B:HIS289 2.1 11.7 1.0 NE2 A:HIS99 2.1 25.6 1.0 NE2 A:HIS134 2.2 18.1 1.0 O B:HOH682 2.2 23.7 1.0 CE1 A:HIS99 3.0 24.9 1.0 CE1 B:HIS289 3.1 9.8 1.0 CD2 B:HIS289 3.1 10.1 1.0 CD2 A:HIS99 3.1 23.5 1.0 CE1 A:HIS134 3.2 17.0 1.0 CD2 A:HIS134 3.2 16.8 1.0 OD1 A:ASP97 3.5 23.8 1.0 NE2 B:HIS240 3.8 15.0 1.0 CD2 B:HIS240 4.1 17.4 1.0 ND1 A:HIS99 4.2 24.8 1.0 ND1 B:HIS289 4.2 10.9 1.0 CG B:HIS289 4.2 11.5 1.0 CG A:HIS99 4.2 23.2 1.0 ND1 A:HIS134 4.3 17.6 1.0 CG A:HIS134 4.3 16.3 1.0 CG A:ASP97 4.4 19.3 1.0 O A:HOH723 4.4 33.2 1.0 CE1 B:HIS240 4.6 17.4 1.0 O A:HOH722 4.7 29.2 1.0 CG1 B:ILE242 4.8 21.5 1.0 OD2 A:ASP97 4.8 20.1 1.0 CG B:HIS240 5.0 17.8 1.0

Copper binding site 3 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu501 b:24.3 occ:1.00 SG B:CYS135 2.0 19.8 1.0 ND1 B:HIS143 2.0 19.8 1.0 ND1 B:HIS94 2.2 20.0 1.0 SD B:MET148 2.5 22.5 1.0 CE1 B:HIS94 2.9 20.8 1.0 CB B:CYS135 2.9 19.7 1.0 CE1 B:HIS143 3.0 22.3 1.0 CG B:HIS143 3.0 21.1 1.0 CG B:HIS94 3.3 20.7 1.0 CB B:HIS143 3.4 21.3 1.0 CE B:MET148 3.7 20.6 1.0 CB B:HIS94 3.8 19.8 1.0 CG B:MET148 4.0 23.0 1.0 CA B:HIS94 4.0 20.4 1.0 NE2 B:HIS143 4.1 23.1 1.0 NE2 B:HIS94 4.1 19.9 1.0 CD2 B:HIS143 4.1 21.6 1.0 O B:PRO93 4.2 19.6 1.0 CA B:HIS143 4.3 20.7 1.0 CD2 B:HIS94 4.3 20.9 1.0 CA B:CYS135 4.4 19.0 1.0 CB B:MET148 4.5 20.0 1.0 CE3 B:TRP61 4.5 18.4 1.0 N B:ASN95 4.7 19.2 1.0 CB B:VAL137 4.7 22.7 1.0 O B:HIS143 4.8 21.2 1.0 CG2 B:VAL137 4.8 21.4 1.0 C B:HIS143 4.9 20.2 1.0 C B:CYS135 4.9 18.8 1.0 C B:HIS94 4.9 20.1 1.0 CZ3 B:TRP61 5.0 17.5 1.0

Copper binding site 4 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu502 b:32.4 occ:1.00 NE2 B:HIS134 2.1 17.2 1.0 NE2 B:HIS99 2.2 25.1 1.0 NE2 C:HIS289 2.2 15.5 1.0 O B:HOH683 2.4 29.5 1.0 CE1 B:HIS134 3.1 15.7 1.0 CE1 B:HIS99 3.1 26.9 1.0 CD2 B:HIS134 3.1 16.6 1.0 CE1 C:HIS289 3.2 14.8 1.0 CD2 C:HIS289 3.2 14.2 1.0 CD2 B:HIS99 3.2 23.0 1.0 OD1 B:ASP97 3.5 25.1 1.0 NE2 C:HIS240 3.8 19.1 1.0 O B:HOH685 4.0 56.3 1.0 CD2 C:HIS240 4.1 18.7 1.0 ND1 B:HIS134 4.2 17.2 1.0 ND1 B:HIS99 4.2 24.7 1.0 CG B:HIS134 4.2 17.4 1.0 ND1 C:HIS289 4.3 14.5 1.0 CG B:ASP97 4.3 21.9 1.0 CG B:HIS99 4.3 22.3 1.0 CG C:HIS289 4.3 15.4 1.0 CE1 C:HIS240 4.5 16.9 1.0 OD2 B:ASP97 4.8 23.2 1.0 CG1 C:ILE242 4.8 20.5 1.0 O B:HOH684 4.9 31.7 1.0 CG C:HIS240 5.0 18.1 1.0

Copper binding site 5 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu501 b:23.0 occ:1.00 ND1 C:HIS143 2.0 22.9 1.0 ND1 C:HIS94 2.0 18.4 1.0 SG C:CYS135 2.1 21.4 1.0 SD C:MET148 2.7 28.9 1.0 CE1 C:HIS94 2.8 18.4 1.0 CE1 C:HIS143 2.8 23.9 1.0 CG C:HIS143 3.0 23.3 1.0 CB C:CYS135 3.1 20.6 1.0 CG C:HIS94 3.2 18.7 1.0 CB C:HIS143 3.5 21.5 1.0 CB C:HIS94 3.7 18.7 1.0 CE C:MET148 3.7 22.3 1.0 CA C:HIS94 3.8 19.6 1.0 NE2 C:HIS94 4.0 19.3 1.0 O C:PRO93 4.0 20.2 1.0 NE2 C:HIS143 4.0 23.9 1.0 CD2 C:HIS143 4.1 23.2 1.0 CG C:MET148 4.1 24.0 1.0 CD2 C:HIS94 4.2 18.8 1.0 CE3 C:TRP61 4.4 18.8 1.0 CA C:HIS143 4.4 19.8 1.0 CA C:CYS135 4.5 19.9 1.0 CB C:VAL137 4.6 22.2 1.0 CB C:MET148 4.7 21.6 1.0 N C:ASN95 4.7 20.2 1.0 CG2 C:VAL137 4.7 22.4 1.0 C C:PRO93 4.8 20.5 1.0 N C:HIS94 4.8 19.8 1.0 C C:HIS94 4.8 20.1 1.0 CZ3 C:TRP61 4.9 19.3 1.0 O C:HIS143 4.9 19.4 1.0

Copper binding site 6 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu502 b:29.2 occ:1.00 O C:HOH682 2.0 16.6 1.0 NE2 C:HIS134 2.1 15.8 1.0 NE2 C:HIS99 2.2 24.7 1.0 O A:HOH696 2.2 47.8 1.0 NE2 A:HIS289 2.4 13.8 1.0 CE1 C:HIS134 3.1 15.2 1.0 CD2 C:HIS134 3.1 14.3 1.0 CE1 C:HIS99 3.1 24.6 1.0 CD2 C:HIS99 3.2 23.6 1.0 CD2 A:HIS289 3.3 12.6 1.0 CE1 A:HIS289 3.5 14.8 1.0 NE2 A:HIS240 3.5 17.9 1.0 OD1 C:ASP97 3.6 24.4 1.0 CD2 A:HIS240 3.9 17.8 1.0 CE1 A:HIS240 4.1 17.4 1.0 ND1 C:HIS134 4.2 16.3 1.0 CG C:HIS134 4.2 15.9 1.0 ND1 C:HIS99 4.3 23.3 1.0 CG C:HIS99 4.3 23.7 1.0 CG C:ASP97 4.4 22.1 1.0 CG A:HIS289 4.5 14.4 1.0 ND1 A:HIS289 4.5 16.2 1.0 CG A:HIS240 4.8 17.9 1.0 CG1 A:ILE242 4.8 21.4 1.0 OD2 C:ASP97 4.8 23.8 1.0 ND1 A:HIS240 4.9 17.9 1.0 O C:HOH683 5.0 27.2 1.0

Copper binding site 7 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu501 b:20.8 occ:1.00 ND1 D:HIS94 1.9 19.1 1.0 ND1 D:HIS143 2.0 22.6 1.0 SG D:CYS135 2.1 19.8 1.0 SD D:MET148 2.6 27.2 1.0 CE1 D:HIS94 2.7 18.4 1.0 CE1 D:HIS143 2.8 21.9 1.0 CG D:HIS94 3.0 18.9 1.0 CG D:HIS143 3.1 22.1 1.0 CB D:CYS135 3.2 21.7 1.0 CB D:HIS143 3.6 22.0 1.0 CB D:HIS94 3.6 19.1 1.0 CE D:MET148 3.7 22.6 1.0 CA D:HIS94 3.8 20.9 1.0 NE2 D:HIS94 3.8 18.9 1.0 NE2 D:HIS143 3.9 22.5 1.0 O D:PRO93 4.0 19.9 1.0 CD2 D:HIS94 4.0 18.3 1.0 CD2 D:HIS143 4.1 22.9 1.0 CG D:MET148 4.1 23.7 1.0 CE3 D:TRP61 4.5 18.4 1.0 CA D:HIS143 4.5 20.7 1.0 CB D:VAL137 4.6 22.1 1.0 CA D:CYS135 4.6 21.6 1.0 N D:ASN95 4.6 20.4 1.0 CB D:MET148 4.7 20.7 1.0 CG2 D:VAL137 4.8 20.8 1.0 C D:HIS94 4.8 21.4 1.0 N D:HIS94 4.8 20.6 1.0 C D:PRO93 4.8 21.5 1.0 CZ3 D:TRP61 4.9 18.0 1.0

Copper binding site 8 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu502 b:28.4 occ:1.00 NE2 E:HIS289 2.1 12.9 1.0 O D:HOH710 2.2 22.4 1.0 NE2 D:HIS134 2.2 18.9 1.0 NE2 D:HIS99 2.2 24.4 1.0 CE1 D:HIS134 3.1 19.3 1.0 CD2 E:HIS289 3.1 13.2 1.0 CE1 E:HIS289 3.1 11.3 1.0 CE1 D:HIS99 3.2 24.9 1.0 CD2 D:HIS99 3.2 23.4 1.0 CD2 D:HIS134 3.2 18.2 1.0 OD1 D:ASP97 3.6 27.4 1.0 NE2 E:HIS240 3.7 17.9 1.0 CD2 E:HIS240 3.9 20.1 1.0 ND1 D:HIS134 4.2 18.0 1.0 ND1 E:HIS289 4.2 13.9 1.0 CG E:HIS289 4.2 14.1 1.0 ND1 D:HIS99 4.3 23.8 1.0 CG D:HIS99 4.3 23.3 1.0 CG D:HIS134 4.3 18.0 1.0 CG D:ASP97 4.4 23.0 1.0 CE1 E:HIS240 4.6 21.2 1.0 CG1 E:ILE242 4.7 21.0 1.0 O D:HOH711 4.8 47.0 1.0 OD2 D:ASP97 4.8 24.3 1.0 CG E:HIS240 4.9 18.8 1.0

Copper binding site 9 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ E:Cu501 b:27.4 occ:1.00 ND1 E:HIS143 1.9 23.3 1.0 ND1 E:HIS94 2.0 17.6 1.0 SG E:CYS135 2.0 20.1 1.0 SD E:MET148 2.5 26.2 1.0 CE1 E:HIS94 2.7 18.0 1.0 CE1 E:HIS143 2.8 23.0 1.0 CG E:HIS143 2.9 23.3 1.0 CB E:CYS135 3.1 19.9 1.0 CG E:HIS94 3.2 19.1 1.0 CB E:HIS143 3.4 22.8 1.0 CE E:MET148 3.7 22.5 1.0 CB E:HIS94 3.8 19.8 1.0 NE2 E:HIS94 3.9 17.6 1.0 NE2 E:HIS143 4.0 23.4 1.0 CG E:MET148 4.0 24.5 1.0 CD2 E:HIS143 4.0 23.6 1.0 CA E:HIS94 4.0 21.2 1.0 O E:PRO93 4.2 22.3 1.0 CD2 E:HIS94 4.2 19.1 1.0 CA E:HIS143 4.3 22.0 1.0 CE3 E:TRP61 4.3 17.3 1.0 CA E:CYS135 4.5 20.2 1.0 CB E:MET148 4.5 21.7 1.0 CB E:VAL137 4.7 22.0 1.0 CZ3 E:TRP61 4.8 16.5 1.0 N E:ASN95 4.8 22.6 1.0 O E:HIS143 4.9 22.0 1.0 CG2 E:VAL137 4.9 22.0 1.0 C E:HIS143 5.0 21.3 1.0

Copper binding site 10 out of 12 in the Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of Crystal Structure of the Soluble Domain of Ania From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ E:Cu502 b:33.6 occ:1.00 NE2 F:HIS289 2.1 16.1 1.0 NE2 E:HIS99 2.1 23.9 1.0 NE2 E:HIS134 2.2 19.5 1.0 O E:HOH693 2.2 38.6 1.0 CE1 E:HIS99 3.0 25.4 1.0 CE1 E:HIS134 3.1 19.1 1.0 CD2 F:HIS289 3.1 17.0 1.0 CE1 F:HIS289 3.1 16.2 1.0 CD2 E:HIS134 3.2 18.4 1.0 CD2 E:HIS99 3.2 23.0 1.0 NE2 F:HIS240 3.7 20.0 1.0 OD1 E:ASP97 3.8 27.1 1.0 CD2 F:HIS240 4.0 20.0 1.0 ND1 E:HIS99 4.2 25.4 1.0 ND1 F:HIS289 4.2 17.7 1.0 ND1 E:HIS134 4.2 19.6 1.0 CG F:HIS289 4.2 17.6 1.0 CG E:HIS99 4.3 24.1 1.0 CG E:HIS134 4.3 18.2 1.0 CE1 F:HIS240 4.5 19.9 1.0 CG E:ASP97 4.5 24.9 1.0 CG1 F:ILE242 4.9 21.5 1.0 OD2 E:ASP97 4.9 25.8 1.0 CG F:HIS240 4.9 20.1 1.0

M.J.Boulanger, M.E.Murphy. Crystal Structure of the Soluble Domain of the Major Anaerobically Induced Outer Membrane Protein (Ania) From Pathogenic Neisseria: A New Class of Copper-Containing Nitrite Reductases. J.Mol.Biol. V. 315 1111 2002.
ISSN: ISSN 0022-2836
PubMed: 11827480
DOI: 10.1006/JMBI.2001.5251