Copper in PDB 4x4k: Structure of Laccase From Botrytis Aclada with Full Copper Content

The structure of Structure of Laccase From Botrytis Aclada with Full Copper Content, PDB code: 4x4k was solved by E.M.Osipov, K.M.Polyakov, T.V.Tikhonova, R.Kittl, S.V.Shleev, R.Ludwig, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.40 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.400, 113.100, 79.600, 90.00, 109.00, 90.00
R / Rfree (%)	18.1 / 23.3

The binding sites of Copper atom in the Structure of Laccase From Botrytis Aclada with Full Copper Content (pdb code 4x4k). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 5 binding sites of Copper where determined in the Structure of Laccase From Botrytis Aclada with Full Copper Content, PDB code: 4x4k:
Jump to Copper binding site number: 1; 2; 3; 4; 5;

Copper binding site 1 out of 5 in the Structure of Laccase From Botrytis Aclada with Full Copper Content


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structure of Laccase From Botrytis Aclada with Full Copper Content within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:40.5 occ:1.00 ND1 A:HIS426 2.0 35.8 1.0 ND1 A:HIS494 2.0 31.5 1.0 SG A:CYS489 2.2 32.6 1.0 CE1 A:HIS426 2.9 34.6 1.0 CG A:HIS494 3.0 30.5 1.0 CE1 A:HIS494 3.0 32.1 1.0 CG A:HIS426 3.0 35.2 1.0 CB A:CYS489 3.2 31.0 1.0 CB A:HIS494 3.3 29.9 1.0 CB A:HIS426 3.3 33.5 1.0 CD1 A:ILE491 3.6 27.2 1.0 CD1 A:LEU499 3.6 32.6 1.0 CA A:HIS426 4.0 33.8 1.0 NE2 A:HIS426 4.1 34.6 1.0 NE2 A:HIS494 4.1 29.1 1.0 CD2 A:HIS494 4.1 27.5 1.0 CD2 A:HIS426 4.1 36.8 1.0 CB A:ILE491 4.1 29.5 1.0 CG1 A:ILE491 4.2 29.4 1.0 CD A:PRO427 4.5 30.4 1.0 CA A:CYS489 4.6 30.3 1.0 CA A:HIS494 4.8 32.5 1.0 CG A:LEU499 4.9 28.5 1.0 CG2 A:ILE491 5.0 29.8 1.0

Copper binding site 2 out of 5 in the Structure of Laccase From Botrytis Aclada with Full Copper Content


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structure of Laccase From Botrytis Aclada with Full Copper Content within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:34.1 occ:0.80 NE2 A:HIS488 1.9 30.4 1.0 NE2 A:HIS431 1.9 28.3 1.0 O A:HOH823 2.0 26.7 1.0 NE2 A:HIS133 2.1 31.4 1.0 CE1 A:HIS431 2.8 27.6 1.0 CD2 A:HIS488 2.8 30.2 1.0 CE1 A:HIS488 2.9 30.8 1.0 CE1 A:HIS133 3.0 35.7 1.0 CD2 A:HIS431 3.1 26.8 1.0 CD2 A:HIS133 3.1 31.3 1.0 CD2 A:HIS429 3.3 29.4 1.0 CU A:CU604 3.8 35.6 0.7 O A:HOH843 3.9 46.2 1.0 ND1 A:HIS488 4.0 30.4 1.0 CG A:HIS488 4.0 30.9 1.0 ND1 A:HIS431 4.0 28.7 1.0 CD2 A:LEU486 4.1 24.8 1.0 NE2 A:HIS429 4.1 29.9 1.0 ND1 A:HIS133 4.1 34.3 1.0 CG A:HIS431 4.1 26.2 1.0 CG A:HIS133 4.2 31.5 1.0 CD2 A:HIS87 4.3 29.6 1.0 NE2 A:HIS87 4.4 32.0 1.0 CG A:HIS429 4.5 29.7 1.0 CU A:CU603 4.8 30.5 0.8 NE2 A:HIS490 4.8 33.2 1.0 CG A:LEU486 4.9 25.5 1.0 CD2 A:HIS490 4.9 33.0 1.0

Copper binding site 3 out of 5 in the Structure of Laccase From Botrytis Aclada with Full Copper Content


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Structure of Laccase From Botrytis Aclada with Full Copper Content within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:30.5 occ:0.80 NE2 A:HIS131 2.0 28.5 1.0 ND1 A:HIS89 2.0 34.6 1.0 NE2 A:HIS490 2.1 33.2 1.0 O A:HOH823 2.8 26.7 1.0 CE1 A:HIS89 3.0 33.1 1.0 CE1 A:HIS131 3.0 30.0 1.0 CE1 A:HIS490 3.0 33.1 1.0 CD2 A:HIS131 3.0 28.2 1.0 CG A:HIS89 3.1 31.2 1.0 CD2 A:HIS490 3.2 33.0 1.0 CB A:HIS89 3.5 29.8 1.0 CZ2 A:TRP129 3.5 26.6 1.0 CE2 A:TRP129 3.9 26.7 1.0 ND1 A:HIS131 4.1 29.0 1.0 NE2 A:HIS89 4.1 32.5 1.0 CG A:HIS131 4.1 29.6 1.0 CH2 A:TRP129 4.1 25.6 1.0 ND1 A:HIS490 4.1 30.7 1.0 CD2 A:HIS87 4.2 29.6 1.0 CU A:CU604 4.2 35.6 0.7 NE1 A:TRP129 4.2 28.2 1.0 CD2 A:HIS89 4.2 31.9 1.0 CD2 A:HIS429 4.2 29.4 1.0 CG A:HIS490 4.3 32.2 1.0 O A:HOH843 4.4 46.2 1.0 NE2 A:HIS429 4.4 29.9 1.0 CA A:HIS89 4.6 30.8 1.0 NE2 A:HIS87 4.7 32.0 1.0 CU A:CU602 4.8 34.1 0.8 CD2 A:TRP129 4.8 26.5 1.0 CG A:HIS429 5.0 29.7 1.0

Copper binding site 4 out of 5 in the Structure of Laccase From Botrytis Aclada with Full Copper Content


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Structure of Laccase From Botrytis Aclada with Full Copper Content within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:35.6 occ:0.70 NE2 A:HIS429 1.8 29.9 1.0 NE2 A:HIS87 2.0 32.0 1.0 O A:HOH751 2.5 35.0 1.0 CD2 A:HIS429 2.7 29.4 1.0 CE1 A:HIS429 2.9 28.6 1.0 CD2 A:HIS87 2.9 29.6 1.0 CE1 A:HIS87 2.9 30.2 1.0 NE2 A:HIS431 3.3 28.3 1.0 O A:HOH823 3.4 26.7 1.0 CE1 A:HIS431 3.4 27.6 1.0 CD2 A:HIS431 3.5 26.8 1.0 ND1 A:HIS89 3.6 34.6 1.0 N A:GLY90 3.7 34.2 1.0 CA A:HIS89 3.7 30.8 1.0 ND1 A:HIS431 3.7 28.7 1.0 CG A:HIS89 3.8 31.2 1.0 CU A:CU602 3.8 34.1 0.8 CG A:HIS431 3.8 26.2 1.0 CG A:HIS429 3.9 29.7 1.0 ND1 A:HIS429 3.9 29.1 1.0 ND1 A:HIS87 4.0 30.8 1.0 CG A:HIS87 4.0 29.8 1.0 CE1 A:HIS89 4.0 33.1 1.0 CB A:HIS89 4.1 29.8 1.0 CU A:CU603 4.2 30.5 0.8 C A:HIS89 4.3 31.3 1.0 CD2 A:HIS89 4.3 31.9 1.0 NE2 A:HIS89 4.4 32.5 1.0 O A:HOH726 4.5 34.9 1.0 CA A:HIS431 4.8 29.1 1.0 N A:HIS89 4.8 30.9 1.0 CA A:GLY90 4.8 30.5 1.0 CB A:HIS431 4.8 27.9 1.0 O A:TRP88 4.8 32.2 1.0 O A:LEU430 5.0 31.4 1.0

Copper binding site 5 out of 5 in the Structure of Laccase From Botrytis Aclada with Full Copper Content


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Structure of Laccase From Botrytis Aclada with Full Copper Content within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu605 b:50.7 occ:0.20 NE2 A:HIS81 2.3 59.4 1.0 CE1 A:HIS81 3.2 56.1 1.0 OE1 A:GLU80 3.2 78.2 1.0 CD2 A:HIS81 3.4 52.1 1.0 ND1 A:HIS81 4.3 52.6 1.0 CD A:GLU80 4.4 73.0 1.0 CG A:HIS81 4.5 49.3 1.0 CD1 A:LEU535 4.7 59.4 1.0 CB A:GLU80 4.8 54.6 1.0

E.M.Osipov, K.M.Polyakov, T.V.Tikhonova, R.Kittl, P.V.Dorovatovskii, S.V.Shleev, V.O.Popov, R.Ludwig. Incorporation of Copper Ions Into Crystals of T2 Copper-Depleted Laccase From Botrytis Aclada. Acta Crystallogr.,Sect.F V. 71 1465 2015.
ISSN: ESSN 2053-230X
PubMed: 26625287
DOI: 10.1107/S2053230X1502052X