Cobalt in PDB 8cge: The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis)

The structure of The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis), PDB code: 8cge was solved by R.D.Healey, F.Hoh, S.Granier, C.Leyrat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.17 / 2.50
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.496, 81.817, 111.045, 90, 111.14, 90
R / Rfree (%)	19 / 24.8

The binding sites of Cobalt atom in the The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis) (pdb code 8cge). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis), PDB code: 8cge:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:60.5 occ:1.00 NE2 A:HIS273 1.9 65.1 1.0 OE2 A:GLU268 2.0 72.5 1.0 NE2 B:HIS279 2.3 59.5 1.0 NE2 A:HIS275 2.3 68.5 1.0 CE1 A:HIS275 2.5 61.2 1.0 O A:HOH566 2.5 58.0 1.0 CD A:GLU268 2.6 66.0 1.0 OE1 A:GLU268 2.7 63.9 1.0 CD2 A:HIS273 2.8 58.5 1.0 CE1 A:HIS273 2.9 66.7 1.0 CE1 B:HIS279 3.2 60.3 1.0 CD2 B:HIS279 3.3 66.4 1.0 CD2 A:HIS275 3.6 59.2 1.0 ND1 A:HIS275 3.8 61.4 1.0 ND1 A:HIS273 3.9 62.7 1.0 CG A:HIS273 4.0 56.9 1.0 CG A:GLU268 4.1 61.5 1.0 NZ B:LYS261 4.2 66.1 1.0 ND1 B:HIS279 4.3 67.2 1.0 CG A:HIS275 4.4 61.4 1.0 CG B:HIS279 4.4 65.1 1.0

Cobalt binding site 2 out of 4 in the The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:67.4 occ:1.00 NE2 A:HIS274 2.1 62.2 1.0 NE2 A:HIS272 2.2 65.6 1.0 CE1 A:HIS274 2.8 64.7 1.0 CE1 A:HIS272 2.9 64.7 1.0 CD2 A:HIS274 3.2 65.4 1.0 CD2 A:HIS272 3.4 67.9 1.0 ND1 A:HIS274 4.0 60.7 1.0 ND1 A:HIS272 4.1 64.0 1.0 CG A:HIS274 4.2 60.1 1.0 O B:PHE282 4.3 73.0 1.0 CG A:HIS272 4.4 63.7 1.0

Cobalt binding site 3 out of 4 in the The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis) within 5.0Å range: probe atom residue distance (Å) B Occ B:Co402 b:62.1 occ:1.00 O B:HOH571 1.9 57.7 1.0 NE2 A:HIS279 2.2 52.2 1.0 ND1 B:HIS273 2.2 50.0 1.0 NE2 B:HIS275 2.4 53.4 1.0 O B:HOH578 2.7 53.5 1.0 CE1 B:HIS275 2.9 48.1 1.0 CE1 A:HIS279 3.1 59.0 1.0 CE1 B:HIS273 3.1 49.9 1.0 CG B:HIS273 3.3 51.6 1.0 CD2 A:HIS279 3.3 51.1 1.0 CD2 B:HIS275 3.6 52.6 1.0 CB B:HIS273 3.6 52.5 1.0 ND1 B:HIS275 4.1 52.9 1.0 ND1 A:HIS279 4.3 58.8 1.0 NE2 B:HIS273 4.3 48.3 1.0 CD2 B:HIS273 4.4 51.7 1.0 CG A:HIS279 4.4 54.5 1.0 CG B:HIS275 4.5 49.0 1.0

Cobalt binding site 4 out of 4 in the The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of The Crystal Structure of A Cobalt-Bound Scfv Reveals A Tetrameric Polyhistidine Motif (Tetrhis) within 5.0Å range: probe atom residue distance (Å) B Occ B:Co403 b:51.5 occ:1.00 OE2 B:GLU268 1.9 44.3 1.0 NE2 B:HIS274 2.2 47.2 1.0 OE1 B:GLU268 2.3 48.6 1.0 CD B:GLU268 2.4 50.0 1.0 NE2 B:HIS272 2.5 45.5 1.0 CE1 B:HIS274 3.1 44.6 1.0 CD2 B:HIS274 3.2 53.6 1.0 CE1 B:HIS272 3.4 48.6 1.0 CD2 B:HIS272 3.4 51.5 1.0 CG B:GLU268 3.9 46.9 1.0 ND1 B:HIS274 4.3 48.3 1.0 O B:HOH555 4.3 53.8 1.0 CG B:HIS274 4.3 51.6 1.0 ND1 B:HIS272 4.5 58.2 1.0 CG B:HIS272 4.5 56.2 1.0 CB B:GLU268 4.9 44.9 1.0 O1 B:SO4406 5.0 79.3 0.4

R.D.Healey, L.Couillaud, F.Hoh, A.Mouhand, A.Fouillen, P.Couvineau, S.Granier, C.Leyrat. Structure, Dynamics and Transferability of the Metal-Dependent Polyhistidine Tetramerization Motif Tetrhis For Single-Chain Fv Antibodies. Commun Chem V. 6 160 2023.
ISSN: ESSN 2399-3669
PubMed: 37507458
DOI: 10.1038/S42004-023-00962-X