Nickel in PDB 3op0: Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide

The structure of Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide, PDB code: 3op0 was solved by A.Chaikuad, K.Guo, C.D.O.Cooper, V.Ayinampudi, T.Krojer, E.Ugochukwu, J.R.C.Muniz, M.Vollmar, P.Canning, F.Von Delft, C.H.Arrowsmith, J.Weigelt, A.M.Edwards, C.Bountra, A.Bullock, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.45 / 2.52
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	90.250, 90.250, 191.581, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 26.6

The structure of Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Nickel atom in the Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide (pdb code 3op0). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide, PDB code: 3op0:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1 b:19.1 occ:1.00 O B:HOH476 1.8 3.1 1.0 O B:HOH463 1.8 10.0 1.0 OD1 B:CSD189 1.9 36.4 1.0 O A:CSO202 2.0 26.8 1.0 OD A:CSO202 2.1 26.0 1.0 OD2 B:CSD189 2.1 43.7 1.0 SG A:CSO202 2.4 27.2 1.0 SG B:CSD189 2.5 38.1 1.0 C A:CSO202 2.8 24.9 1.0 O B:HOH464 3.0 38.1 1.0 CB A:CSO202 3.2 25.1 1.0 CA A:CSO202 3.4 24.8 1.0 NZ A:LYS90 3.4 30.8 1.0 CB B:CSD189 3.8 35.5 1.0 N A:SER203 3.8 24.6 1.0 O B:HOH341 3.9 31.5 1.0 O B:HOH462 4.1 23.2 1.0 O B:HOH415 4.2 38.4 1.0 O B:HOH335 4.3 27.0 1.0 CA A:SER203 4.4 24.9 1.0 CE A:LYS90 4.5 30.4 1.0 CA B:CSD189 4.7 33.7 1.0 OD1 A:ASN86 4.8 25.5 1.0 N A:CSO202 4.8 24.0 1.0 C A:SER203 4.8 25.1 1.0 O A:HOH371 4.9 38.4 1.0 O B:HOH334 4.9 25.4 1.0 N A:GLY204 5.0 24.6 1.0 O A:THR201 5.0 23.6 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni331 b:18.0 occ:1.00 O A:HOH445 1.7 16.0 1.0 O A:HOH461 1.8 6.7 1.0 OD1 A:CSD189 1.9 36.5 1.0 O B:CSO202 2.0 27.0 1.0 OD B:CSO202 2.1 25.9 1.0 OD2 A:CSD189 2.1 44.0 1.0 SG A:CSD189 2.4 38.1 1.0 SG B:CSO202 2.4 27.1 1.0 C B:CSO202 2.9 25.2 1.0 O A:HOH446 2.9 38.1 1.0 CB B:CSO202 3.3 25.2 1.0 CA B:CSO202 3.5 24.9 1.0 NZ B:LYS90 3.5 30.6 1.0 CB A:CSD189 3.7 35.7 1.0 O A:HOH443 3.9 25.8 1.0 N B:SER203 3.9 24.9 1.0 O A:HOH444 4.1 22.0 1.0 O B:HOH414 4.2 35.0 1.0 O B:HOH333 4.3 30.3 1.0 CA B:SER203 4.5 25.4 1.0 CE B:LYS90 4.5 30.1 1.0 CA A:CSD189 4.6 33.8 1.0 O A:HOH332 4.8 27.6 1.0 C B:SER203 4.9 25.4 1.0 N B:CSO202 4.9 23.9 1.0 OD1 B:ASN86 4.9 25.9 1.0

A.Chaikuad, K.Guo, C.D.O.Cooper, V.Ayinampudi, T.Krojer, E.Ugochukwu, J.R.C.Muniz, M.Vollmar, P.Canning, F.Von Delft, C.H.Arrowsmith, J.Weigelt, A.M.Edwards, C.Bountra, A.Bullock. Crystal Structure of Cbl-C (Cbl-3) Tkb Domain in Complex with Egfr PY1069 Peptide To Be Published.