Zinc in PDB 4oy8: Structure of SCLPMO10B in Complex with Zinc.

The structure of Structure of SCLPMO10B in Complex with Zinc., PDB code: 4oy8 was solved by Z.Forsberg, A.K.Mackenzie, M.Sorlie, A.K.Rohr, R.Helland, A.S.Arvai, G.Vaaje-Kolstad, V.G.H.Eijsink, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.79 / 1.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.620, 67.620, 107.290, 90.00, 90.00, 120.00
R / Rfree (%)	12.5 / 14.3

The binding sites of Zinc atom in the Structure of SCLPMO10B in Complex with Zinc. (pdb code 4oy8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Structure of SCLPMO10B in Complex with Zinc., PDB code: 4oy8:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in the Structure of SCLPMO10B in Complex with Zinc.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of SCLPMO10B in Complex with Zinc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:7.8 occ:0.50 O A:HOH407 2.0 7.3 1.0 OD2 A:ASP226 2.1 6.9 1.0 OD1 A:ASP226 2.2 7.3 1.0 CG A:ASP226 2.5 7.6 1.0 O A:HOH442 3.9 9.0 1.0 CB A:ASP226 4.0 7.1 1.0 O A:ACT309 4.1 9.4 0.5 OXT A:ACT309 4.1 9.4 0.5 O A:HOH418 4.1 9.8 1.0 CA A:GLY202 4.2 7.1 1.0 CA A:GLY228 4.4 8.7 1.0 N A:GLY228 4.5 8.5 1.0 C A:ACT309 4.5 10.5 0.5 C A:GLY202 4.6 7.2 1.0 N A:ARG203 4.8 6.8 1.0 CA A:ASP226 4.9 6.6 1.0 C A:GLY228 5.0 8.9 1.0

Zinc binding site 2 out of 8 in the Structure of SCLPMO10B in Complex with Zinc.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of SCLPMO10B in Complex with Zinc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:8.1 occ:0.45 O A:HOH418 2.0 9.8 1.0 OD1 A:ASP135 2.1 9.2 1.0 OD2 A:ASP135 2.2 10.3 1.0 CG A:ASP135 2.5 8.5 1.0 O A:HOH430 3.9 13.7 1.0 OD2 A:ASP226 3.9 6.9 1.0 O A:HOH412 4.0 14.6 1.0 CB A:ASP135 4.0 8.0 1.0 CG A:ASP226 4.4 7.6 1.0 CB A:ASP226 4.6 7.1 1.0 O A:HOH427 4.6 33.0 1.0 CA A:ASP135 4.8 7.1 1.0

Zinc binding site 3 out of 8 in the Structure of SCLPMO10B in Complex with Zinc.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of SCLPMO10B in Complex with Zinc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:6.6 occ:0.85 O A:HOH404 2.0 8.2 1.0 O A:HOH415 2.1 7.4 1.0 OG A:SER198 4.0 8.0 1.0 OD1 A:ASP139 4.1 8.7 1.0 OD2 A:ASP139 4.1 13.2 1.0 OD2 A:ASP138 4.1 9.5 1.0 CB A:ASP138 4.1 8.1 1.0 O A:THR197 4.1 8.1 1.0 CG A:ASP139 4.4 9.0 1.0 CG A:ASP138 4.7 8.7 1.0

Zinc binding site 4 out of 8 in the Structure of SCLPMO10B in Complex with Zinc.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of SCLPMO10B in Complex with Zinc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn304 b:6.0 occ:0.80 OD1 A:ASP71 1.9 10.1 1.0 O A:ACT310 2.0 6.3 0.8 O A:HOH417 2.1 9.8 1.0 CG A:ASP71 2.8 9.5 1.0 C A:ACT310 3.1 6.8 0.8 OD2 A:ASP71 3.1 12.6 1.0 CH3 A:ACT310 3.6 7.1 0.8 O A:ASP71 4.1 10.0 1.0 OXT A:ACT310 4.2 7.1 0.8 CB A:ASP71 4.2 8.3 1.0 O A:HOH437 4.3 10.3 1.0 CA A:ASP71 4.6 7.9 1.0 C A:ASP71 4.6 9.1 1.0

Zinc binding site 5 out of 8 in the Structure of SCLPMO10B in Complex with Zinc.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure of SCLPMO10B in Complex with Zinc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn305 b:8.0 occ:0.80 OXT A:ACT311 2.0 9.8 0.8 NE2 A:HIS150 2.0 10.8 1.0 ND1 A:HIS43 2.0 8.9 1.0 N A:HIS43 2.1 9.6 1.0 C A:ACT311 2.6 9.6 0.8 O A:ACT311 2.7 9.6 0.8 CE1 A:HIS150 2.9 11.0 1.0 CG A:HIS43 3.0 9.0 1.0 CA A:HIS43 3.0 8.7 1.0 CE1 A:HIS43 3.0 10.0 1.0 CD2 A:HIS150 3.0 10.3 1.0 CB A:HIS43 3.3 8.8 1.0 O A:HOH455 3.5 25.2 1.0 CB A:ALA148 3.7 13.6 1.0 OH A:TYR219 3.8 9.3 1.0 ND1 A:HIS150 4.1 11.3 1.0 CH3 A:ACT311 4.1 10.6 0.8 CD2 A:HIS43 4.1 8.9 1.0 NE2 A:HIS43 4.1 9.3 1.0 CG A:HIS150 4.1 9.9 1.0 C A:HIS43 4.4 8.7 1.0 OD1 A:ASP146 4.5 10.2 1.0 OE1 A:GLN217 4.7 10.3 1.0 O A:HIS43 4.8 11.0 1.0 NE2 A:HIS214 4.9 14.2 1.0

Zinc binding site 6 out of 8 in the Structure of SCLPMO10B in Complex with Zinc.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structure of SCLPMO10B in Complex with Zinc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn306 b:17.2 occ:0.80 O A:HOH566 1.9 27.7 1.0 O A:HOH583 2.0 24.9 1.0 O A:HOH645 2.0 31.8 1.0 O A:HOH582 2.1 24.6 1.0 OD1 A:ASP48 2.1 14.9 1.0 O A:HOH559 2.2 18.5 1.0 CG A:ASP48 3.1 12.6 1.0 OD2 A:ASP48 3.4 15.2 1.0 OE2 A:GLU58 3.9 29.1 1.0 O A:VAL47 4.0 8.8 1.0 O A:HOH596 4.0 25.9 1.0 O A:HOH555 4.0 15.8 1.0 OE1 A:GLU58 4.4 20.7 1.0 O A:HOH532 4.5 12.9 1.0 CB A:ASP48 4.5 9.4 1.0 CD A:GLU58 4.6 18.6 1.0 C A:VAL47 4.9 8.2 1.0

Zinc binding site 7 out of 8 in the Structure of SCLPMO10B in Complex with Zinc.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structure of SCLPMO10B in Complex with Zinc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn307 b:43.0 occ:0.80 OE1 A:GLN147 2.0 45.7 1.0 NE2 A:HIS145 2.1 19.2 1.0 O A:HOH627 2.9 33.8 1.0 CE1 A:HIS145 3.0 18.4 1.0 CD2 A:HIS145 3.1 20.1 1.0 CD A:GLN147 3.1 33.4 1.0 NE2 A:GLN147 3.6 41.2 1.0 ND1 A:HIS145 4.1 15.7 1.0 CG A:HIS145 4.1 12.9 1.0 CG A:GLN147 4.3 24.0 1.0 CA A:GLN147 4.8 16.6 1.0 CB A:GLN147 4.8 19.2 1.0

Zinc binding site 8 out of 8 in the Structure of SCLPMO10B in Complex with Zinc.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Structure of SCLPMO10B in Complex with Zinc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn308 b:20.4 occ:0.60 OD1 A:ASN190 2.0 14.8 1.0 O A:HOH661 2.0 31.9 1.0 ND1 A:HIS145 2.1 15.7 1.0 O A:HOH654 2.1 35.9 1.0 CE1 A:HIS145 2.9 18.4 1.0 CG A:ASN190 3.0 13.8 1.0 CG A:HIS145 3.0 12.9 1.0 ND2 A:ASN190 3.3 15.5 1.0 CB A:HIS145 3.4 11.0 1.0 NE2 A:HIS145 3.9 19.2 1.0 CD2 A:HIS145 4.0 20.1 1.0 CA A:HIS145 4.2 9.5 1.0 O A:GLN189 4.2 11.4 1.0 CB A:ASN190 4.4 12.6 1.0 C A:GLN189 5.0 10.7 1.0

Z.Forsberg, A.K.Mackenzie, M.Srlie, A.K.Rhr, R.Helland, A.S.Arvai, G.Vaaje-Kolstad, V.G.Eijsink. Structural and Functional Characterization of A Conserved Pair of Bacterial Cellulose-Oxidizing Lytic Polysaccharide Monooxygenases. Proc.Natl.Acad.Sci.Usa V. 111 8446 2014.
ISSN: ESSN 1091-6490
PubMed: 24912171
DOI: 10.1073/PNAS.1402771111