Copper in PDB 8r4m: CSP1 M48L Mutant with Iodide

The structure of CSP1 M48L Mutant with Iodide, PDB code: 8r4m was solved by A.Basle, S.David, C.Dennison, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.87 / 1.95
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	87.744, 87.744, 50.15, 90, 90, 90
R / Rfree (%)	17.9 / 23

The structure of CSP1 M48L Mutant with Iodide also contains other interesting chemical elements:

Iodine

(I)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 26;

Binding sites:

The binding sites of Copper atom in the CSP1 M48L Mutant with Iodide (pdb code 8r4m). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 26 binding sites of Copper where determined in the CSP1 M48L Mutant with Iodide, PDB code: 8r4m:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1001 b:40.9 occ:1.00 SG A:CYS113 2.0 38.0 1.0 SG A:CYS117 2.1 38.1 1.0 O A:CYS113 2.3 50.8 1.0 CU A:CU11002 2.5 41.3 1.0 CU A:CU11003 2.8 40.3 1.0 C A:CYS113 3.0 41.0 1.0 CB A:CYS113 3.0 38.7 1.0 CA A:CYS113 3.4 43.0 1.0 CB A:CYS117 3.4 48.0 1.0 CD1 A:LEU19 3.4 43.2 1.0 N A:CYS117 3.6 48.8 1.0 CA A:CYS117 3.8 44.8 1.0 SG A:CYS87 4.1 39.4 1.0 N A:ALA114 4.1 40.2 1.0 OG A:SER23 4.1 39.1 1.0 CD2 A:LEU65 4.3 36.3 1.0 C A:GLU116 4.4 51.4 1.0 CB A:GLU116 4.5 52.4 1.0 CU A:CU11004 4.5 37.7 1.0 OG A:SER22 4.5 58.6 1.0 SG A:CYS62 4.5 35.1 1.0 CA A:ALA114 4.6 42.3 1.0 N A:CYS113 4.8 43.7 1.0 CG A:LEU19 4.9 43.0 1.0 CA A:GLU116 4.9 45.1 1.0 C A:ALA114 5.0 45.9 1.0 CG1 A:VAL83 5.0 33.9 1.0

Copper binding site 2 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1002 b:41.3 occ:1.00 SG A:CYS117 2.2 38.1 1.0 SG A:CYS87 2.3 39.4 1.0 CU A:CU11001 2.5 40.9 1.0 CU A:CU11003 3.3 40.3 1.0 CB A:CYS87 3.3 44.3 1.0 O A:VAL83 3.3 44.9 1.0 CB A:CYS117 3.4 48.0 1.0 O A:CYS113 3.4 50.8 1.0 CG1 A:VAL83 3.5 33.9 1.0 C A:VAL83 3.7 42.2 1.0 CU A:CU11004 3.8 37.7 1.0 CA A:ALA84 3.8 37.4 1.0 C A:CYS113 3.8 41.0 1.0 N A:ALA84 3.8 41.4 1.0 SG A:CYS113 3.9 38.0 1.0 SG A:CYS62 3.9 35.1 1.0 N A:ALA114 4.1 40.2 1.0 CA A:ALA114 4.1 42.3 1.0 CB A:CYS113 4.1 38.7 1.0 CB A:VAL83 4.2 37.7 1.0 CA A:CYS87 4.5 40.1 1.0 C A:ALA84 4.6 37.5 1.0 O A:ALA84 4.6 36.8 1.0 CA A:VAL83 4.6 39.2 1.0 N A:CYS87 4.6 36.7 1.0 CA A:CYS113 4.6 43.0 1.0 CA A:CYS117 4.6 44.8 1.0 CD2 A:LEU65 4.8 36.3 1.0 N A:CYS117 4.9 48.8 1.0 CB A:ALA84 4.9 33.9 1.0

Copper binding site 3 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1003 b:40.3 occ:1.00 SG A:CYS62 2.1 35.1 1.0 SG A:CYS113 2.2 38.0 1.0 CU A:CU11004 2.6 37.7 1.0 CU A:CU11001 2.8 40.9 1.0 CB A:CYS113 3.1 38.7 1.0 OG A:SER23 3.2 39.1 1.0 CU A:CU11002 3.3 41.3 1.0 CB A:CYS62 3.3 40.6 1.0 SG A:CYS87 3.5 39.4 1.0 CA A:SER23 3.6 39.9 1.0 SG A:CYS26 3.7 40.7 1.0 CB A:SER23 3.8 40.0 1.0 SG A:CYS117 4.1 38.1 1.0 CB A:CYS26 4.2 44.7 1.0 N A:SER23 4.2 42.1 1.0 CA A:CYS62 4.3 38.3 1.0 CG1 A:VAL83 4.4 33.9 1.0 CA A:CYS113 4.4 43.0 1.0 O A:SER22 4.5 44.5 1.0 C A:SER22 4.6 42.2 1.0 CD2 A:LEU65 4.6 36.3 1.0 C A:SER23 4.7 42.8 1.0 O A:CYS113 4.7 50.8 1.0 O A:SER23 4.7 42.3 1.0 C A:CYS113 4.7 41.0 1.0

Copper binding site 4 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1004 b:37.7 occ:1.00 SG A:CYS87 2.2 39.4 1.0 SG A:CYS26 2.2 40.7 1.0 SG A:CYS62 2.4 35.1 1.0 CU A:CU11003 2.6 40.3 1.0 CU A:CU11005 2.7 39.8 1.0 CD2 A:LEU58 3.1 37.3 1.0 CB A:CYS26 3.2 44.7 1.0 CB A:CYS113 3.5 38.7 1.0 CB A:CYS87 3.7 44.3 1.0 CB A:CYS62 3.7 40.6 1.0 CU A:CU11002 3.8 41.3 1.0 SG A:CYS113 3.9 38.0 1.0 CG A:LEU58 4.3 39.1 1.0 SG A:CYS110 4.3 39.5 1.0 CA A:CYS87 4.3 40.1 1.0 CD1 A:LEU58 4.4 33.4 1.0 CU A:CU11001 4.5 40.9 1.0 CA A:CYS26 4.6 39.9 1.0 CA A:CYS110 4.6 39.6 1.0 CA A:CYS113 4.8 43.0 1.0 N A:CYS87 4.9 36.7 1.0 CB A:CYS110 4.9 40.4 1.0

Copper binding site 5 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1005 b:39.8 occ:1.00 SG A:CYS26 2.1 40.7 1.0 SG A:CYS110 2.2 39.5 1.0 CU A:CU11004 2.7 37.7 1.0 CU A:CU11006 3.0 40.1 1.0 CA A:CYS110 3.1 39.6 1.0 CB A:CYS110 3.1 40.4 1.0 CB A:CYS26 3.3 44.7 1.0 N A:CYS110 3.3 43.8 1.0 CD2 A:LEU58 3.4 37.3 1.0 CD1 A:LEU58 3.6 33.4 1.0 CG A:LEU58 3.6 39.1 1.0 C A:ALA109 3.7 42.0 1.0 CA A:CYS26 4.0 39.9 1.0 O A:ALA109 4.0 49.2 1.0 SG A:CYS87 4.1 39.4 1.0 CB A:ALA109 4.2 41.1 1.0 O A:CYS106 4.2 44.3 1.0 C A:CYS110 4.5 45.3 1.0 CB A:CYS87 4.5 44.3 1.0 SG A:CYS106 4.6 36.1 1.0 CA A:ALA109 4.6 41.5 1.0 CA A:CYS87 4.7 40.1 1.0 CB A:CYS113 4.8 38.7 1.0 SG A:CYS62 4.9 35.1 1.0 O A:CYS110 4.9 46.3 1.0 C A:CYS26 4.9 40.9 1.0 O A:CYS26 4.9 50.5 1.0

Copper binding site 6 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1006 b:40.1 occ:1.00 SG A:CYS106 2.1 36.1 1.0 SG A:CYS110 2.2 39.5 1.0 O A:CYS106 2.2 44.3 1.0 CU A:CU11007 2.6 40.1 1.0 C A:CYS106 2.9 39.0 1.0 CU A:CU11005 3.0 39.8 1.0 CB A:CYS106 3.2 37.8 1.0 CA A:CYS106 3.3 40.7 1.0 CB A:CYS110 3.4 40.4 1.0 N A:CYS110 3.8 43.8 1.0 N A:GLY107 4.0 40.1 1.0 CA A:CYS110 4.1 39.6 1.0 CD1 A:LEU58 4.2 33.4 1.0 SG A:CYS90 4.2 35.8 1.0 CG A:LEU58 4.2 39.1 1.0 CB A:CYS90 4.3 35.2 1.0 CB A:ALA109 4.3 41.1 1.0 CU A:CU11008 4.4 39.7 1.0 CA A:GLY107 4.4 38.3 1.0 C A:ALA109 4.6 42.0 1.0 N A:CYS106 4.8 44.3 1.0 SG A:CYS26 4.8 40.7 1.0 CG2 A:VAL29 4.9 49.4 1.0 CA A:ALA109 4.9 41.5 1.0 CD2 A:LEU58 4.9 37.3 1.0 C A:GLY107 5.0 42.4 1.0

Copper binding site 7 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1007 b:40.1 occ:1.00 SG A:CYS106 2.1 36.1 1.0 SG A:CYS90 2.1 35.8 1.0 CU A:CU11006 2.6 40.1 1.0 CU A:CU11008 2.7 39.7 1.0 CB A:CYS90 3.2 35.2 1.0 CB A:CYS106 3.2 37.8 1.0 OG1 A:THR55 3.8 42.1 1.0 SG A:CYS110 3.8 39.5 1.0 SG A:CYS94 3.9 38.7 1.0 CB A:THR55 4.1 36.9 1.0 CG A:LEU58 4.1 39.1 1.0 O A:CYS106 4.3 44.3 1.0 C A:CYS106 4.3 39.0 1.0 CA A:CYS106 4.3 40.7 1.0 O A:CYS90 4.3 38.1 1.0 CD1 A:LEU58 4.3 33.4 1.0 CA A:CYS90 4.3 37.9 1.0 CA A:THR55 4.4 35.8 1.0 C A:CYS90 4.4 39.2 1.0 CB A:LEU58 4.5 36.6 1.0 CU A:CU11009 4.8 37.9 1.0 SG A:CYS33 5.0 40.0 1.0 CA A:GLY30 5.0 40.7 1.0 N A:GLY107 5.0 40.1 1.0

Copper binding site 8 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1008 b:39.7 occ:1.00 O A:CYS90 2.2 38.1 1.0 SG A:CYS94 2.2 38.7 1.0 SG A:CYS90 2.3 35.8 1.0 CU A:CU11007 2.7 40.1 1.0 CU A:CU11009 2.8 37.9 1.0 C A:CYS90 3.0 39.2 1.0 CB A:CYS90 3.2 35.2 1.0 CB A:CYS94 3.2 39.4 1.0 CA A:CYS90 3.4 37.9 1.0 N A:CYS94 3.7 44.3 1.0 CA A:CYS94 3.9 45.7 1.0 N A:LYS91 4.0 34.7 1.0 SG A:CYS106 4.3 36.1 1.0 CU A:CU11006 4.4 40.1 1.0 CB A:CYS106 4.5 37.8 1.0 SG A:CYS51 4.5 37.0 1.0 CB A:GLU93 4.5 39.7 1.0 CA A:LYS91 4.6 40.0 1.0 C A:GLU93 4.6 45.1 1.0 N A:CYS90 4.8 39.2 1.0 CB A:CYS51 4.9 41.2 1.0 N A:GLY107 4.9 40.1 1.0 C A:CYS106 4.9 39.0 1.0 C A:LYS91 4.9 41.7 1.0 CB A:THR55 5.0 36.9 1.0 CA A:GLU93 5.0 42.4 1.0

Copper binding site 9 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1009 b:37.9 occ:1.00 SG A:CYS94 2.1 38.7 1.0 SG A:CYS51 2.2 37.0 1.0 CU A:CU11011 2.8 43.5 1.0 CU A:CU11008 2.8 39.7 1.0 CB A:CYS51 3.1 41.2 1.0 CA A:CYS94 3.2 45.7 1.0 CB A:CYS94 3.2 39.4 1.0 CU A:CU11010 3.3 42.0 1.0 N A:CYS94 3.4 44.3 1.0 SG A:CYS33 3.9 40.0 1.0 SG A:CYS103 3.9 40.9 1.0 CB A:CYS103 3.9 40.4 1.0 C A:GLU93 3.9 45.1 1.0 O A:GLU93 4.2 40.7 1.0 O A:CYS90 4.2 38.1 1.0 CB A:GLU93 4.3 39.7 1.0 CA A:CYS103 4.4 42.0 1.0 CA A:CYS51 4.5 45.0 1.0 C A:CYS94 4.6 43.4 1.0 SG A:CYS90 4.6 35.8 1.0 CD2 A:PHE97 4.7 35.2 1.0 CA A:GLU93 4.8 42.4 1.0 CU A:CU11007 4.8 40.1 1.0 O A:CYS103 4.9 40.2 1.0 O A:CYS94 5.0 43.8 1.0

Copper binding site 10 out of 26 in the CSP1 M48L Mutant with Iodide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of CSP1 M48L Mutant with Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1010 b:42.0 occ:1.00 SG A:CYS33 2.2 40.0 1.0 SG A:CYS103 2.2 40.9 1.0 CU A:CU11011 2.7 43.5 1.0 CU A:CU11012 3.0 41.3 1.0 CB A:CYS103 3.2 40.4 1.0 CB A:CYS33 3.3 36.1 1.0 CA A:CYS103 3.3 42.0 1.0 CU A:CU11009 3.3 37.9 1.0 N A:CYS103 3.5 41.5 1.0 CU A:CU11013 3.8 43.8 1.0 CA A:CYS33 4.0 41.2 1.0 SG A:CYS51 4.0 37.0 1.0 CB A:CYS51 4.1 41.2 1.0 C A:GLU102 4.1 43.2 1.0 SG A:CYS94 4.1 38.7 1.0 I A:IOD1014 4.2 42.7 1.0 O A:CYS33 4.3 42.5 1.0 CB A:GLU102 4.4 46.7 1.0 O A:GLU102 4.5 45.5 1.0 ND1 A:HIS36 4.5 47.6 1.0 C A:CYS33 4.5 40.1 1.0 SG A:CYS37 4.6 38.5 1.0 C A:CYS103 4.8 44.0 1.0 CA A:GLU102 4.9 45.6 1.0

S.David, R.A.Dalton, A.Basle, P.B.Crowley, C.Dennison. The Replacement of A Met Ligand By Iodide in A Copper Storage Protein Is Stabilised By An Unusual Cu(I)2-Anion-Pi Interaction To Be Published.