Nickel in PDB 7lsn: Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II)

The structure of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II), PDB code: 7lsn was solved by T.S.Choi, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.33 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.64, 60.66, 64.29, 90, 90, 90
R / Rfree (%)	20.7 / 23.6

The structure of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II) also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Nickel atom in the Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II) (pdb code 7lsn). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II), PDB code: 7lsn:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni202 b:18.7 occ:1.00 NE2 C:HIS100 2.1 15.3 1.0 O C:HOH364 2.1 18.4 1.0 NE2 A:HIS67 2.2 19.3 1.0 NE2 A:HIS71 2.2 16.1 1.0 NE2 C:HIS104 2.2 19.4 1.0 NE2 C:HIS60 2.2 16.6 1.0 CD2 C:HIS100 3.1 15.7 1.0 CE1 C:HIS100 3.1 15.5 1.0 CD2 C:HIS104 3.1 16.1 1.0 CE1 A:HIS71 3.1 20.8 1.0 CD2 A:HIS67 3.1 14.9 1.0 CE1 C:HIS60 3.1 18.0 1.0 CE1 A:HIS67 3.1 19.8 1.0 CD2 A:HIS71 3.2 16.2 1.0 CE1 C:HIS104 3.2 21.2 1.0 CD2 C:HIS60 3.2 18.6 1.0 O C:HOH388 4.2 30.4 1.0 ND1 C:HIS100 4.2 16.6 1.0 CG C:HIS100 4.2 15.8 1.0 ND1 A:HIS71 4.2 20.2 1.0 ND1 A:HIS67 4.3 19.3 1.0 O A:HOH330 4.3 23.4 1.0 ND1 C:HIS60 4.3 19.5 1.0 CG C:HIS104 4.3 18.0 1.0 ND1 C:HIS104 4.3 20.0 1.0 CG A:HIS67 4.3 16.7 1.0 CG A:HIS71 4.3 17.3 1.0 CG C:HIS60 4.3 18.9 1.0

Nickel binding site 2 out of 2 in the Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni202 b:17.6 occ:1.00 NE2 A:HIS100 2.1 15.4 1.0 NE2 C:HIS67 2.1 16.8 1.0 NE2 A:HIS104 2.1 16.0 1.0 NE2 C:HIS71 2.2 14.4 1.0 O A:HOH359 2.2 16.4 1.0 NE2 A:HIS60 2.2 15.9 1.0 CE1 A:HIS100 3.0 17.3 1.0 CE1 C:HIS71 3.1 18.1 1.0 CD2 A:HIS104 3.1 17.7 1.0 CE1 C:HIS67 3.1 14.4 1.0 CD2 A:HIS100 3.1 16.4 1.0 CD2 C:HIS67 3.1 15.2 1.0 CE1 A:HIS104 3.2 17.9 1.0 CE1 A:HIS60 3.2 18.7 1.0 CD2 A:HIS60 3.2 16.3 1.0 CD2 C:HIS71 3.2 14.8 1.0 ND1 A:HIS100 4.2 16.5 1.0 ND1 C:HIS71 4.2 19.4 1.0 ND1 C:HIS67 4.2 16.7 1.0 CG A:HIS100 4.2 16.3 1.0 CG A:HIS104 4.2 18.7 1.0 ND1 A:HIS104 4.2 19.4 1.0 CG C:HIS67 4.3 15.7 1.0 ND1 A:HIS60 4.3 17.4 1.0 CG C:HIS71 4.3 15.0 1.0 CG A:HIS60 4.3 18.2 1.0 O C:HOH356 4.3 21.1 1.0 O A:HOH378 4.6 30.4 1.0 O A:HOH344 5.0 23.9 1.0

T.S.Choi, F.A.Tezcan. Structure-Guided Metal Selectivity in Malleable Protein Interface Mediated By Single Disulfide Bond To Be Published.