Cobalt in PDB 1t5k: Crystal Structure of Amicyanin Substituted with Cobalt

The structure of Crystal Structure of Amicyanin Substituted with Cobalt, PDB code: 1t5k was solved by C.J.Carrell, X.Wang, L.Jones, W.L.Jarrett, V.L.Davidson, F.S.Mathews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.70 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.701, 56.401, 58.706, 90.00, 99.67, 90.00
R / Rfree (%)	18.2 / 21

The binding sites of Cobalt atom in the Crystal Structure of Amicyanin Substituted with Cobalt (pdb code 1t5k). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Amicyanin Substituted with Cobalt, PDB code: 1t5k:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of Amicyanin Substituted with Cobalt


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Amicyanin Substituted with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Co107 b:13.0 occ:1.00 ND1 A:HIS95 1.9 9.0 1.0 ND1 A:HIS53 2.1 8.7 1.0 SG A:CYS92 2.2 9.4 1.0 O A:HOH780 2.3 12.7 1.0 CE1 A:HIS95 2.8 11.8 1.0 CE1 A:HIS53 2.9 9.2 1.0 CG A:HIS95 3.0 9.3 1.0 CG A:HIS53 3.2 9.2 1.0 CB A:CYS92 3.5 8.1 1.0 CB A:HIS95 3.5 8.5 1.0 O A:PRO52 3.6 8.2 1.0 CB A:HIS53 3.7 7.8 1.0 CA A:HIS53 3.7 7.7 1.0 SD A:MET98 3.8 9.5 1.0 NE2 A:HIS95 4.0 11.8 1.0 CD2 A:HIS95 4.1 10.5 1.0 NE2 A:HIS53 4.1 8.4 1.0 CG A:PRO94 4.2 10.9 1.0 CD2 A:HIS53 4.3 8.2 1.0 N A:HIS95 4.4 9.5 1.0 CD A:PRO94 4.5 8.7 1.0 C A:PRO52 4.5 8.6 1.0 CE A:MET98 4.6 10.2 1.0 CA A:HIS95 4.6 8.9 1.0 N A:HIS53 4.6 8.3 1.0 CA A:CYS92 4.8 7.9 1.0 N A:ASN54 4.8 7.6 1.0 C A:HIS53 4.8 7.2 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of Amicyanin Substituted with Cobalt


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Amicyanin Substituted with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ B:Co107 b:14.4 occ:1.00 ND1 B:HIS95 1.9 11.0 1.0 ND1 B:HIS53 2.0 9.2 1.0 SG B:CYS92 2.2 9.7 1.0 O B:HOH778 2.3 16.1 1.0 CE1 B:HIS95 2.8 11.8 1.0 CE1 B:HIS53 2.9 11.9 1.0 CG B:HIS95 3.0 9.2 1.0 CG B:HIS53 3.2 8.7 1.0 CB B:CYS92 3.5 8.5 1.0 CB B:HIS95 3.5 9.5 1.0 CB B:HIS53 3.7 9.0 1.0 SD B:MET98 3.8 12.3 1.0 O B:PRO52 3.8 11.0 1.0 CA B:HIS53 3.8 8.4 1.0 NE2 B:HIS95 4.0 12.8 1.0 CG B:PRO94 4.0 11.8 1.0 CD2 B:HIS95 4.1 11.2 1.0 NE2 B:HIS53 4.1 9.4 1.0 CD2 B:HIS53 4.2 11.4 1.0 CD B:PRO94 4.4 10.9 1.0 N B:HIS95 4.5 10.4 1.0 CE B:MET98 4.5 13.2 1.0 CA B:HIS95 4.6 10.0 1.0 C B:PRO52 4.6 9.8 1.0 N B:HIS53 4.7 8.9 1.0 CA B:CYS92 4.8 8.5 1.0 N B:ASN54 4.9 7.9 1.0 C B:HIS53 5.0 8.3 1.0 C B:CYS92 5.0 8.7 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of Amicyanin Substituted with Cobalt


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Amicyanin Substituted with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ C:Co107 b:14.4 occ:1.00 ND1 C:HIS95 1.9 11.1 1.0 ND1 C:HIS53 2.1 10.3 1.0 SG C:CYS92 2.2 10.2 1.0 O C:HOH751 2.2 12.1 1.0 CE1 C:HIS95 2.8 12.3 1.0 CE1 C:HIS53 3.0 12.0 1.0 CG C:HIS95 3.0 10.1 1.0 CG C:HIS53 3.2 9.6 1.0 CB C:HIS95 3.5 10.2 1.0 CB C:CYS92 3.5 8.6 1.0 CB C:HIS53 3.7 9.1 1.0 O C:PRO52 3.7 10.0 1.0 CA C:HIS53 3.8 8.3 1.0 SD C:MET98 3.8 11.2 1.0 NE2 C:HIS95 4.0 13.2 1.0 CD2 C:HIS95 4.1 12.0 1.0 NE2 C:HIS53 4.1 10.5 1.0 CG C:PRO94 4.2 12.3 1.0 CD2 C:HIS53 4.3 8.3 1.0 N C:HIS95 4.4 10.4 1.0 C C:PRO52 4.5 9.7 1.0 CD C:PRO94 4.6 9.5 1.0 CA C:HIS95 4.6 10.6 1.0 N C:HIS53 4.6 9.2 1.0 CE C:MET98 4.6 11.0 1.0 CA C:CYS92 4.8 8.3 1.0 N C:ASN54 4.8 7.1 1.0 C C:HIS53 4.9 8.2 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of Amicyanin Substituted with Cobalt


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Amicyanin Substituted with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ D:Co107 b:14.7 occ:1.00 ND1 D:HIS95 1.9 10.8 1.0 ND1 D:HIS53 2.1 10.7 1.0 O D:HOH148 2.2 11.6 1.0 SG D:CYS92 2.2 10.6 1.0 CE1 D:HIS95 2.9 9.3 1.0 CE1 D:HIS53 2.9 12.9 1.0 CG D:HIS95 3.0 10.2 1.0 CG D:HIS53 3.2 11.1 1.0 CB D:HIS95 3.5 9.4 1.0 CB D:CYS92 3.5 8.9 1.0 SD D:MET98 3.7 11.6 1.0 CB D:HIS53 3.7 10.3 1.0 O D:PRO52 3.8 14.3 1.0 CA D:HIS53 3.9 10.2 1.0 NE2 D:HIS95 4.0 11.5 1.0 CG D:PRO94 4.1 10.1 1.0 NE2 D:HIS53 4.1 12.1 1.0 CD2 D:HIS95 4.1 12.4 1.0 CD2 D:HIS53 4.2 12.4 1.0 CD D:PRO94 4.4 11.4 1.0 CE D:MET98 4.5 14.1 1.0 N D:HIS95 4.5 10.7 1.0 C D:PRO52 4.6 13.3 1.0 CA D:HIS95 4.6 10.3 1.0 N D:HIS53 4.7 10.8 1.0 CA D:CYS92 4.8 7.8 1.0 N D:ASN54 5.0 8.2 1.0 C D:HIS53 5.0 9.1 1.0

C.J.Carrell, X.Wang, L.Jones, W.L.Jarrett, V.L.Davidson, F.S.Mathews. Crystallographic and uc(Nmr) Investigation of Cobalt-Substituted Amicyanin. Biochemistry V. 43 9381 2004.
ISSN: ISSN 0006-2960
PubMed: 15260481
DOI: 10.1021/BI049635R