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

Protein crystallography data

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

Zinc Binding Sites:

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 3eii

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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 3eii

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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 3eii

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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 3eii

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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 3eii

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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 3eii

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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

Reference:

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
Page generated: Wed Dec 16 04:16:16 2020

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