Nickel in PDB 2vtc: The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina.

The structure of The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina., PDB code: 2vtc was solved by S.Karkehabadi, H.Hansson, S.Kim, K.Piens, C.Mitchinson, M.Sandgren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.6
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	101.445, 101.445, 102.697, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 22

The binding sites of Nickel atom in the The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina. (pdb code 2vtc). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina., PDB code: 2vtc:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1231 b:23.5 occ:1.00 O A:HOH2230 1.2 11.5 1.0 N A:HIS1 1.9 26.0 1.0 NE2 A:HIS89 2.1 22.7 1.0 O A:HOH2002 2.1 27.0 1.0 ND1 A:HIS1 2.2 21.6 1.0 OH A:TYR176 2.5 21.5 1.0 CD2 A:HIS89 2.9 22.9 1.0 CA A:HIS1 3.0 25.0 1.0 CG A:HIS1 3.1 24.1 1.0 CE1 A:HIS89 3.1 26.4 1.0 CE1 A:HIS1 3.3 24.1 1.0 CB A:HIS1 3.3 25.4 1.0 CZ A:TYR176 3.5 20.9 1.0 CE1 A:TYR176 3.9 20.5 1.0 NE2 A:GLN174 4.0 18.0 1.0 CG A:PRO88 4.1 25.2 1.0 CG A:HIS89 4.1 24.7 1.0 ND1 A:HIS89 4.2 24.4 1.0 CD2 A:HIS1 4.3 23.1 1.0 C A:HIS1 4.3 25.5 1.0 NE2 A:HIS1 4.3 22.3 1.0 O A:HOH2003 4.4 39.2 1.0 CE2 A:TYR176 4.5 19.4 1.0 O A:HIS1 4.7 26.4 1.0

Nickel binding site 2 out of 3 in the The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni1231 b:17.6 occ:1.00 ND1 B:HIS1 2.1 15.2 1.0 NE2 B:HIS89 2.1 15.5 1.0 N B:HIS1 2.1 17.4 1.0 O B:HOH2002 2.2 22.5 1.0 O B:HOH2251 2.3 19.8 1.0 OH B:TYR176 2.4 15.8 1.0 CG B:HIS1 3.1 17.8 1.0 CE1 B:HIS89 3.1 18.7 1.0 CE1 B:HIS1 3.1 16.2 1.0 CD2 B:HIS89 3.1 17.7 1.0 CA B:HIS1 3.1 16.8 1.0 CB B:HIS1 3.4 16.9 1.0 CZ B:TYR176 3.5 13.7 1.0 NE2 B:GLN174 3.9 12.5 1.0 CE1 B:TYR176 4.0 14.2 1.0 NE2 B:HIS1 4.2 17.5 1.0 ND1 B:HIS89 4.2 18.8 1.0 CD2 B:HIS1 4.2 16.4 1.0 CG B:HIS89 4.2 18.1 1.0 CG B:PRO88 4.3 19.1 1.0 C B:HIS1 4.5 16.8 1.0 CE2 B:TYR176 4.5 12.8 1.0 CD2 B:PHE46 4.9 17.5 1.0 O B:HIS1 4.9 17.1 1.0

Nickel binding site 3 out of 3 in the The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of The Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni1232 b:36.7 occ:1.00 CE1 B:HIS30 2.2 25.9 1.0 O B:HOH2066 2.2 35.3 1.0 NE2 B:HIS30 2.9 30.2 1.0 ND1 B:HIS30 3.3 28.0 1.0 CD2 B:HIS30 4.2 27.3 1.0 CG B:HIS30 4.4 24.1 1.0 O B:THR28 4.5 21.9 1.0 CB B:THR28 5.0 20.8 1.0

S.Karkehabadi, H.Hansson, S.Kim, K.Piens, C.Mitchinson, M.Sandgren. The First Structure of A Glycoside Hydrolase Family 61 Member, CEL61B From the Hypocrea Jecorina, at 1.6 A Resolution. J.Mol.Biol. V. 383 144 2008.
ISSN: ISSN 0022-2836
PubMed: 18723026
DOI: 10.1016/J.JMB.2008.08.016