Zinc in PDB 3eii: Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris

The structure of Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris, PDB code: 3eii was solved by R.Salbo, D.Welner, L.Lo Leggio, P.Harris, K.Mcfarland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.25
Space group	F 2 3 1
Cell size a, b, c (Å), α, β, γ (°)	220.918, 220.918, 220.918, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.1

The binding sites of Zinc atom in the Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris (pdb code 3eii). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris, PDB code: 3eii:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:18.4 occ:1.00 NE2 A:HIS68 2.0 15.6 1.0 ND1 A:HIS1 2.1 15.3 1.0 O A:HOH4281 2.1 25.3 1.0 N A:HIS1 2.2 14.6 1.0 O A:HOH4013 2.4 20.1 1.0 CE1 A:HIS68 2.9 16.9 1.0 OH A:TYR153 3.0 9.5 1.0 CG A:HIS1 3.0 17.5 1.0 CD2 A:HIS68 3.1 14.1 1.0 CE1 A:HIS1 3.1 16.2 1.0 CA A:HIS1 3.1 15.6 1.0 CB A:HIS1 3.3 15.8 1.0 OH A:TYR67 3.8 19.5 1.0 CZ A:TYR153 4.0 10.2 1.0 ND1 A:HIS68 4.1 15.3 1.0 CD2 A:HIS1 4.2 16.8 1.0 CG A:HIS68 4.2 15.8 1.0 NE2 A:HIS1 4.2 19.3 1.0 OE1 A:GLN151 4.2 13.2 1.0 O3 A:SO44851 4.2 53.5 1.0 O A:HOH4385 4.3 22.0 1.0 CZ A:TYR67 4.3 17.2 1.0 CE1 A:TYR67 4.4 16.1 1.0 C A:HIS1 4.5 16.5 1.0 CE1 A:TYR153 4.6 9.1 1.0 CE2 A:TYR153 4.9 9.1 1.0

Zinc binding site 2 out of 6 in the Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:26.5 occ:1.00 ND1 B:HIS1 2.1 21.2 1.0 NE2 B:HIS68 2.2 16.8 1.0 N B:HIS1 2.4 19.6 1.0 O B:HOH4160 2.4 38.5 1.0 O B:HOH4016 2.4 26.3 1.0 OH B:TYR153 2.9 11.6 1.0 CG B:HIS1 3.0 19.1 1.0 CE1 B:HIS1 3.1 20.8 1.0 CE1 B:HIS68 3.1 16.9 1.0 CA B:HIS1 3.1 18.9 1.0 CD2 B:HIS68 3.2 15.4 1.0 CB B:HIS1 3.3 17.6 1.0 OH B:TYR67 3.9 20.2 1.0 CZ B:TYR153 4.0 12.6 1.0 O B:HOH4625 4.1 50.3 1.0 OE1 B:GLN151 4.1 15.2 1.0 CD2 B:HIS1 4.2 19.1 1.0 NE2 B:HIS1 4.2 18.7 1.0 ND1 B:HIS68 4.3 16.5 1.0 CG B:HIS68 4.4 16.5 1.0 CZ B:TYR67 4.5 17.8 1.0 CE1 B:TYR153 4.5 11.2 1.0 C B:HIS1 4.6 20.4 1.0 CE1 B:TYR67 4.6 17.2 1.0 CE2 B:TYR153 4.9 11.6 1.0

Zinc binding site 3 out of 6 in the Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn352 b:61.3 occ:1.00 O B:HOH4690 2.3 41.2 1.0 O B:HOH4601 3.4 39.2 1.0 OE1 B:GLN199 3.7 29.6 1.0 O A:TYR27 3.8 12.5 1.0 O B:HOH4478 4.0 26.2 1.0 OG B:SER197 4.0 23.6 1.0 OE1 A:GLN35 4.1 15.9 1.0 O B:HOH4648 4.1 35.0 1.0 O A:HOH4045 4.6 27.9 1.0 CB B:SER197 4.7 21.2 1.0 CD B:GLN199 4.7 28.6 1.0 O A:HOH4353 4.7 42.2 1.0 O A:HOH4094 4.8 23.9 1.0 NE2 A:GLN35 4.8 13.0 1.0 CD A:GLN35 4.9 13.2 1.0 CB B:GLN199 4.9 21.6 1.0 CG B:GLN199 4.9 26.3 1.0 C A:TYR27 5.0 12.2 1.0

Zinc binding site 4 out of 6 in the Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:20.5 occ:1.00 NE2 C:HIS68 2.0 14.5 1.0 ND1 C:HIS1 2.2 13.5 1.0 N C:HIS1 2.2 16.7 1.0 O1 C:GOL2647 2.7 46.4 1.0 O C:HOH4464 2.8 22.9 1.0 OH C:TYR153 2.9 9.9 1.0 CE1 C:HIS68 3.0 13.9 1.0 CD2 C:HIS68 3.1 14.2 1.0 CG C:HIS1 3.1 14.4 1.0 CA C:HIS1 3.1 16.3 1.0 CE1 C:HIS1 3.2 14.8 1.0 CB C:HIS1 3.3 14.0 1.0 OH C:TYR67 3.8 18.9 1.0 C1 C:GOL2647 3.8 46.2 1.0 CZ C:TYR153 3.9 11.7 1.0 ND1 C:HIS68 4.1 14.6 1.0 OE1 C:GLN151 4.1 13.3 1.0 CG C:HIS68 4.2 15.1 1.0 CD2 C:HIS1 4.3 13.9 1.0 NE2 C:HIS1 4.3 17.4 1.0 CZ C:TYR67 4.4 16.9 1.0 CE1 C:TYR67 4.5 16.0 1.0 CE1 C:TYR153 4.5 10.8 1.0 C C:HIS1 4.5 16.3 1.0 CE2 C:TYR153 4.8 9.7 1.0

Zinc binding site 5 out of 6 in the Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn351 b:55.0 occ:1.00 OE2 C:GLU100 2.5 21.2 1.0 O C:HOH4431 3.0 25.9 1.0 O C:HOH4687 3.1 51.8 1.0 CD C:GLU100 3.2 21.8 1.0 OE1 C:GLU100 3.3 22.8 1.0 O C:HOH4044 4.0 13.5 1.0 NE2 C:HIS102 4.2 22.7 1.0 CG C:GLU100 4.7 21.8 1.0 CB C:ASN200 4.7 16.1 1.0 OD1 C:ASN200 4.7 18.8 1.0 CG C:ASN200 4.9 16.5 1.0 CA C:ALA204 4.9 16.0 1.0 CD2 C:HIS102 5.0 23.8 1.0

Zinc binding site 6 out of 6 in the Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Zinc-Bound Glycoside Hydrolase 61 E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:27.1 occ:1.00 ND1 D:HIS1 2.0 18.6 1.0 NE2 D:HIS68 2.1 13.7 1.0 N D:HIS1 2.3 16.3 1.0 O1 D:GOL2647 2.4 42.1 1.0 OH D:TYR153 2.8 10.8 1.0 CG D:HIS1 3.0 17.6 1.0 CE1 D:HIS1 3.1 16.9 1.0 CE1 D:HIS68 3.1 15.0 1.0 CA D:HIS1 3.1 16.3 1.0 CD2 D:HIS68 3.2 15.3 1.0 CB D:HIS1 3.3 15.2 1.0 C1 D:GOL2647 3.8 42.6 1.0 OH D:TYR67 3.8 18.3 1.0 CZ D:TYR153 3.9 11.9 1.0 OE1 D:GLN151 4.1 15.4 1.0 NE2 D:HIS1 4.2 17.7 1.0 CD2 D:HIS1 4.2 17.5 1.0 O2 D:GOL2647 4.2 44.5 1.0 ND1 D:HIS68 4.2 16.9 1.0 C2 D:GOL2647 4.3 42.5 1.0 CG D:HIS68 4.3 15.9 1.0 CE1 D:TYR153 4.4 11.3 1.0 CZ D:TYR67 4.5 16.4 1.0 C D:HIS1 4.5 16.6 1.0 CE1 D:TYR67 4.6 16.7 1.0 CE2 D:TYR153 4.8 9.8 1.0

P.V.Harris, D.Welner, K.C.Mcfarland, E.Re, J.C.Navarro Poulsen, K.Brown, R.Salbo, H.Ding, E.Vlasenko, S.Merino, F.Xu, J.Cherry, S.Larsen, L.Lo Leggio. Stimulation of Lignocellulosic Biomass Hydrolysis By Proteins of Glycoside Hydrolase Family 61: Structure and Function of A Large, Enigmatic Family. Biochemistry V. 49 3305 2010.
ISSN: ISSN 0006-2960
PubMed: 20230050
DOI: 10.1021/BI100009P