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Copper in PDB 4uah: Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion

Protein crystallography data

The structure of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion, PDB code: 4uah was solved by M.Gunne, A.Hoeppner, V.D.Jaeger, V.B.Urlacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.55 / 1.73
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.586, 104.328, 163.637, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 20.7

Copper Binding Sites:

The binding sites of Copper atom in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion (pdb code 4uah). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 9 binding sites of Copper where determined in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion, PDB code: 4uah:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Copper binding site 1 out of 9 in 4uah

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Copper binding site 1 out of 9 in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu401

b:7.8
occ:0.85
ND1 A:HIS228 2.0 8.2 1.0
ND1 A:HIS290 2.0 9.4 1.0
SG A:CYS285 2.1 7.5 1.0
CE1 A:HIS228 3.0 8.8 1.0
CG A:HIS290 3.0 8.9 1.0
CG A:HIS228 3.0 7.5 1.0
CE1 A:HIS290 3.0 8.4 1.0
CB A:CYS285 3.1 7.7 1.0
CB A:HIS290 3.3 8.8 1.0
CB A:HIS228 3.4 7.0 1.0
SD A:MET295 3.5 12.8 1.0
CA A:HIS228 3.7 7.0 1.0
CB A:VAL287 4.0 5.9 1.0
O A:TYR227 4.1 7.8 1.0
NE2 A:HIS228 4.1 8.8 1.0
NE2 A:HIS290 4.1 9.7 1.0
CD2 A:HIS290 4.1 10.1 1.0
CG2 A:VAL287 4.1 5.5 1.0
CD2 A:HIS228 4.1 8.6 1.0
CE A:MET295 4.1 9.2 1.0
CA A:CYS285 4.5 7.3 1.0
N A:THR229 4.6 7.0 1.0
N A:HIS228 4.7 6.4 1.0
C A:HIS228 4.7 7.5 1.0
C A:TYR227 4.8 7.2 1.0
CA A:HIS290 4.8 8.4 1.0
N A:VAL287 4.9 7.6 1.0
CG1 A:VAL287 4.9 5.7 1.0
CG A:MET295 5.0 10.6 1.0

Copper binding site 2 out of 9 in 4uah

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Copper binding site 2 out of 9 in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu402

b:20.8
occ:0.75
NE2 A:HIS233 2.0 9.0 1.0
O A:HOH640 2.1 15.2 1.0
NE2 A:HIS284 2.2 8.7 1.0
NE2 C:HIS155 2.2 7.7 1.0
CE1 A:HIS233 2.8 8.4 1.0
CE1 A:HIS284 2.9 9.9 1.0
O C:HOH635 3.1 19.8 1.0
CD2 A:HIS233 3.1 9.2 1.0
CD2 C:HIS155 3.2 6.8 1.0
CE1 C:HIS155 3.2 7.8 1.0
CD2 A:HIS284 3.3 9.6 1.0
O C:HOH583 3.7 14.8 1.0
CD2 A:HIS231 3.9 7.5 1.0
ND1 A:HIS233 4.0 8.8 1.0
CU A:CU405 4.0 16.1 0.6
ND1 A:HIS284 4.1 9.8 1.0
NE2 A:HIS231 4.1 7.7 1.0
CG A:HIS233 4.2 8.8 1.0
ND1 C:HIS155 4.3 7.7 1.0
CG C:HIS155 4.3 6.9 1.0
CG A:HIS284 4.4 9.1 1.0
NE2 A:HIS286 4.4 6.4 1.0
CD2 A:HIS286 4.7 7.2 1.0
ND1 C:HIS161 4.8 16.7 1.0
SD A:MET282 4.8 26.7 1.0
OD1 C:ASN99 4.8 13.8 1.0
CE A:MET282 4.9 15.5 1.0

Copper binding site 3 out of 9 in 4uah

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Copper binding site 3 out of 9 in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu403

b:22.9
occ:0.70
NE2 B:HIS286 2.1 14.1 1.0
NE2 A:HIS153 2.1 17.1 1.0
NE2 A:HIS101 2.1 13.3 1.0
O A:HOH641 2.7 24.8 1.0
O A:HOH639 2.7 31.4 1.0
CD2 B:HIS286 2.8 13.2 1.0
CE1 A:HIS153 2.8 16.1 1.0
CE1 A:HIS101 3.0 12.3 1.0
CD2 A:HIS101 3.2 15.2 1.0
CE1 B:HIS286 3.2 15.3 1.0
CD2 A:HIS153 3.2 14.5 1.0
OD1 A:ASN99 3.9 20.0 1.0
NE2 B:HIS231 4.0 14.9 1.0
ND1 A:HIS153 4.1 15.1 1.0
CG B:HIS286 4.1 11.3 1.0
ND1 A:HIS101 4.1 13.1 1.0
ND1 B:HIS286 4.2 11.5 1.0
CG A:HIS101 4.2 11.9 1.0
CD2 B:HIS231 4.2 14.2 1.0
CG A:HIS153 4.3 14.5 1.0
CB A:ALA263 4.3 9.5 1.0
CU A:CU404 4.3 30.2 0.7
O A:HOH598 4.4 20.7 1.0
CE1 A:HIS151 4.6 13.2 1.0
CE1 B:HIS231 4.6 14.0 1.0
CG B:HIS231 5.0 12.2 1.0
CG A:ASN99 5.0 22.8 1.0

Copper binding site 4 out of 9 in 4uah

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Copper binding site 4 out of 9 in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu404

b:30.2
occ:0.70
O A:HOH641 1.8 24.8 1.0
NE2 B:HIS233 2.0 16.4 1.0
NE2 B:HIS284 2.3 17.7 1.0
NE2 A:HIS155 2.3 13.1 1.0
CE1 B:HIS233 2.7 15.8 1.0
CE1 B:HIS284 3.1 17.6 1.0
CE1 A:HIS155 3.2 13.1 1.0
CD2 B:HIS233 3.3 14.8 1.0
O A:HOH639 3.3 31.4 1.0
CD2 B:HIS284 3.3 15.9 1.0
CD2 A:HIS155 3.4 13.2 1.0
O A:HOH598 3.8 20.7 1.0
ND1 B:HIS233 3.9 15.8 1.0
CD2 B:HIS231 4.0 14.2 1.0
CG B:HIS233 4.2 14.5 1.0
ND1 B:HIS284 4.2 15.1 1.0
NE2 B:HIS231 4.3 14.9 1.0
ND1 A:HIS155 4.3 13.6 1.0
CU A:CU403 4.3 22.9 0.7
CG B:HIS284 4.4 15.1 1.0
CG A:HIS155 4.5 13.6 1.0
CD2 A:HIS161 4.5 23.4 1.0
CE B:MET282 4.5 22.2 1.0
NE2 B:HIS286 4.6 14.1 1.0
CD2 B:HIS286 4.7 13.2 1.0
SD B:MET282 4.9 33.7 1.0
OD1 A:ASN99 4.9 20.0 1.0

Copper binding site 5 out of 9 in 4uah

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Copper binding site 5 out of 9 in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu405

b:16.1
occ:0.60
NE2 A:HIS286 2.0 6.4 1.0
NE2 C:HIS101 2.1 8.2 1.0
NE2 C:HIS153 2.2 8.8 1.0
O A:HOH640 2.3 15.2 1.0
O C:HOH635 2.5 19.8 1.0
CE1 C:HIS153 2.9 9.7 1.0
CD2 A:HIS286 2.9 7.2 1.0
CE1 C:HIS101 2.9 8.3 1.0
CE1 A:HIS286 3.0 6.6 1.0
CD2 C:HIS101 3.2 7.9 1.0
CD2 C:HIS153 3.5 7.7 1.0
OD1 C:ASN99 3.8 13.8 1.0
NE2 A:HIS231 3.8 7.7 1.0
CU A:CU402 4.0 20.8 0.8
CD2 A:HIS231 4.1 7.5 1.0
CG A:HIS286 4.1 6.5 1.0
ND1 C:HIS101 4.1 7.3 1.0
ND1 A:HIS286 4.1 5.6 1.0
ND1 C:HIS153 4.1 7.4 1.0
CG C:HIS101 4.2 6.8 1.0
CG C:HIS153 4.4 7.2 1.0
CE1 A:HIS231 4.5 7.6 1.0
O C:HOH583 4.5 14.8 1.0
CB C:ALA263 4.5 6.3 1.0
CG A:HIS231 4.8 8.0 1.0
CE1 C:HIS151 4.8 7.3 1.0
CG C:ASN99 4.8 11.5 1.0
CD2 C:HIS155 4.8 6.8 1.0
CE1 A:HIS284 4.9 9.9 1.0
NE2 C:HIS155 5.0 7.7 1.0

Copper binding site 6 out of 9 in 4uah

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Copper binding site 6 out of 9 in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu403

b:12.3
occ:0.95
ND1 B:HIS290 2.0 13.0 1.0
ND1 B:HIS228 2.0 10.8 1.0
SG B:CYS285 2.2 11.8 1.0
CG B:HIS290 2.9 13.8 1.0
CE1 B:HIS290 3.0 14.2 1.0
CE1 B:HIS228 3.0 11.5 1.0
CG B:HIS228 3.1 11.1 1.0
CB B:CYS285 3.1 12.2 1.0
CB B:HIS290 3.2 14.2 1.0
CB B:HIS228 3.4 10.3 1.0
SD B:MET295 3.5 17.4 1.0
CA B:HIS228 3.7 10.7 1.0
CB B:VAL287 4.0 8.5 1.0
CG2 B:VAL287 4.0 9.8 1.0
O B:TYR227 4.1 9.4 1.0
NE2 B:HIS290 4.1 14.6 1.0
CD2 B:HIS290 4.1 14.0 1.0
NE2 B:HIS228 4.1 11.4 1.0
CD2 B:HIS228 4.2 10.1 1.0
CE B:MET295 4.3 17.9 1.0
CA B:CYS285 4.5 12.5 1.0
N B:THR229 4.6 9.8 1.0
N B:HIS228 4.7 10.2 1.0
C B:HIS228 4.7 10.7 1.0
CA B:HIS290 4.8 13.8 1.0
C B:TYR227 4.8 9.5 1.0
CG1 B:VAL287 4.8 9.7 1.0
N B:VAL287 4.9 9.0 1.0
CD2 B:PHE192 5.0 11.5 1.0

Copper binding site 7 out of 9 in 4uah

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Copper binding site 7 out of 9 in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu404

b:19.8
occ:0.70
NE2 B:HIS101 2.0 11.5 1.0
NE2 C:HIS286 2.0 13.2 1.0
NE2 B:HIS153 2.2 12.6 1.0
O B:HOH601 2.2 22.9 1.0
O C:HOH649 2.3 24.5 1.0
CE1 B:HIS101 2.9 11.2 1.0
CE1 B:HIS153 2.9 16.5 1.0
CD2 C:HIS286 3.0 12.9 1.0
CD2 B:HIS101 3.1 11.5 1.0
CE1 C:HIS286 3.1 13.0 1.0
CD2 B:HIS153 3.3 15.0 1.0
OD1 B:ASN99 3.7 13.4 1.0
NE2 C:HIS231 3.8 9.2 1.0
ND1 B:HIS101 4.0 12.1 1.0
CD2 C:HIS231 4.0 9.1 1.0
CG C:HIS286 4.1 11.1 1.0
CG B:HIS101 4.1 11.5 1.0
ND1 B:HIS153 4.1 15.2 1.0
ND1 C:HIS286 4.2 11.9 1.0
CU B:CU405 4.2 20.7 0.7
CG B:HIS153 4.3 14.6 1.0
O B:HOH553 4.4 21.7 1.0
CE1 C:HIS231 4.5 9.7 1.0
CB B:ALA263 4.5 8.2 1.0
CE1 B:HIS151 4.6 12.0 1.0
CG C:HIS231 4.8 8.9 1.0
CG B:ASN99 4.9 12.7 1.0
CE1 C:HIS284 4.9 12.9 1.0
CD2 B:HIS155 5.0 15.8 1.0

Copper binding site 8 out of 9 in 4uah

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Copper binding site 8 out of 9 in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu405

b:20.7
occ:0.65
NE2 C:HIS233 2.0 13.8 1.0
O C:HOH649 2.1 24.5 1.0
NE2 B:HIS155 2.2 13.0 1.0
NE2 C:HIS284 2.2 11.8 1.0
CE1 C:HIS233 2.8 14.8 1.0
CE1 C:HIS284 2.9 12.9 1.0
CE1 B:HIS155 3.1 14.0 1.0
CD2 C:HIS233 3.2 12.9 1.0
CD2 B:HIS155 3.2 15.8 1.0
O B:HOH601 3.3 22.9 1.0
CD2 C:HIS284 3.4 13.9 1.0
O B:HOH553 3.6 21.7 1.0
CD2 C:HIS231 4.0 9.1 1.0
ND1 C:HIS233 4.0 13.3 1.0
ND1 C:HIS284 4.1 12.9 1.0
CG C:HIS233 4.2 12.9 1.0
ND1 B:HIS155 4.2 13.9 1.0
CU B:CU404 4.2 19.8 0.7
NE2 C:HIS231 4.2 9.2 1.0
CG B:HIS155 4.3 13.6 1.0
CG C:HIS284 4.4 12.6 1.0
ND1 B:HIS161 4.5 20.5 1.0
CE C:MET282 4.5 18.5 1.0
NE2 C:HIS286 4.6 13.2 1.0
OD1 B:ASN99 4.7 13.4 1.0
CD2 C:HIS286 4.9 12.9 1.0
SD C:MET282 4.9 31.2 1.0

Copper binding site 9 out of 9 in 4uah

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Copper binding site 9 out of 9 in the Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu402

b:8.8
occ:0.90
ND1 C:HIS290 2.0 12.0 1.0
ND1 C:HIS228 2.0 6.6 1.0
SG C:CYS285 2.1 9.5 1.0
CG C:HIS290 2.9 9.9 1.0
CE1 C:HIS290 3.0 12.0 1.0
CE1 C:HIS228 3.0 7.2 1.0
CG C:HIS228 3.0 6.7 1.0
CB C:CYS285 3.1 8.8 1.0
CB C:HIS290 3.2 10.2 1.0
CB C:HIS228 3.4 6.3 1.0
SD C:MET295 3.5 12.4 1.0
CA C:HIS228 3.7 6.3 1.0
O C:TYR227 4.0 8.8 1.0
CD2 C:HIS290 4.1 12.3 1.0
NE2 C:HIS290 4.1 12.7 1.0
CB C:VAL287 4.1 8.2 1.0
CG2 C:VAL287 4.1 7.5 1.0
NE2 C:HIS228 4.1 7.4 1.0
CD2 C:HIS228 4.1 6.7 1.0
CE C:MET295 4.3 11.1 1.0
N C:THR229 4.5 6.7 1.0
CA C:CYS285 4.5 9.4 1.0
C C:HIS228 4.6 6.8 1.0
N C:HIS228 4.8 6.7 1.0
CA C:HIS290 4.8 9.7 1.0
C C:TYR227 4.8 7.2 1.0
CD2 C:PHE192 4.9 9.1 1.0
CG1 C:VAL287 4.9 8.7 1.0
N C:VAL287 4.9 8.8 1.0
CG C:MET295 5.0 12.8 1.0

Reference:

M.Gunne, A.Hoeppner, V.Deidre-Jaeger, V.B.Urlacher. Structure of the SSL1 Laccase Mutant H99N with Depleted Type-2 Copper Ion To Be Published.
Page generated: Wed Jul 31 03:29:13 2024

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