Copper in PDB 3qjo: Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin

The structure of Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin, PDB code: 3qjo was solved by E.Jaenicke, K.Buchler, H.Decker, J.Markl, G.F.Schroder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 4.00
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	251.020, 251.020, 251.020, 90.00, 90.00, 90.00
R / Rfree (%)	27.1 / 29.3

The binding sites of Copper atom in the Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin (pdb code 3qjo). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin, PDB code: 3qjo:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu3407 b:79.4 occ:1.00 NE2 A:HIS2975 2.0 0.8 1.0 NE2 A:HIS2956 2.2 0.8 1.0 NE2 A:HIS2984 2.3 0.1 1.0 CD2 A:HIS2956 2.5 0.8 1.0 CE1 A:HIS2975 2.7 0.8 1.0 CE1 A:HIS2984 3.0 0.1 1.0 CD2 A:HIS2975 3.2 0.8 1.0 CU A:CU3408 3.2 87.0 1.0 SG A:CYS2973 3.4 0.1 1.0 CE1 A:HIS2956 3.4 0.8 1.0 CD2 A:HIS2984 3.4 0.1 1.0 CG A:HIS2956 3.7 0.8 1.0 ND1 A:HIS2975 3.8 0.8 1.0 CG A:HIS2975 4.1 0.8 1.0 CZ A:PHE3112 4.1 0.8 1.0 ND1 A:HIS2956 4.1 0.8 1.0 ND1 A:HIS2984 4.2 0.1 1.0 CZ3 A:TRP2983 4.3 0.0 1.0 CD1 A:LEU3103 4.3 0.1 1.0 NE2 A:HIS3116 4.3 0.5 1.0 CE2 A:PHE3112 4.3 0.8 1.0 CB A:CYS2973 4.4 0.1 1.0 CE1 A:HIS3116 4.4 0.5 1.0 CG A:HIS2984 4.4 0.1 1.0 CE3 A:TRP2983 4.9 0.0 1.0 CB A:HIS2956 4.9 0.8 1.0

Copper binding site 2 out of 4 in the Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu3408 b:87.0 occ:1.00 NE2 A:HIS3085 2.3 97.5 1.0 CE1 A:HIS3116 2.4 0.5 1.0 NE2 A:HIS3089 2.5 0.0 1.0 CE1 A:HIS3085 2.8 97.5 1.0 CE1 A:HIS2984 3.1 0.1 1.0 NE2 A:HIS3116 3.1 0.5 1.0 CE1 A:HIS3089 3.1 0.0 1.0 CU A:CU3407 3.2 79.4 1.0 CE1 A:HIS2975 3.4 0.8 1.0 CD2 A:HIS3089 3.5 0.0 1.0 ND1 A:HIS3116 3.5 0.5 1.0 CD2 A:HIS3085 3.5 97.5 1.0 NE2 A:HIS2975 3.6 0.8 1.0 NE2 A:HIS2984 3.6 0.1 1.0 ND1 A:HIS2984 4.0 0.1 1.0 ND1 A:HIS3085 4.1 97.5 1.0 CD2 A:LEU3246 4.1 0.3 1.0 CE2 A:PHE3112 4.2 0.8 1.0 ND1 A:HIS3089 4.2 0.0 1.0 CD2 A:HIS3116 4.4 0.5 1.0 CG A:HIS3089 4.4 0.0 1.0 CG A:HIS3085 4.4 97.5 1.0 CG A:HIS3116 4.6 0.5 1.0 ND1 A:HIS2975 4.6 0.8 1.0 CD2 A:HIS2984 4.6 0.1 1.0 CZ A:PHE3112 4.7 0.8 1.0 NE2 A:HIS2956 4.7 0.8 1.0 CD2 A:HIS2975 4.8 0.8 1.0 CG A:HIS2984 4.8 0.1 1.0 CE2 A:PHE2980 4.9 0.3 1.0 CD2 A:PHE3112 4.9 0.8 1.0

Copper binding site 3 out of 4 in the Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu3407 b:79.1 occ:1.00 NE2 B:HIS2975 2.0 0.6 1.0 NE2 B:HIS2956 2.2 0.7 1.0 NE2 B:HIS2984 2.2 0.5 1.0 CD2 B:HIS2956 2.5 0.7 1.0 CE1 B:HIS2975 2.6 0.6 1.0 CE1 B:HIS2984 3.0 0.5 1.0 CD2 B:HIS2975 3.2 0.6 1.0 CU B:CU3408 3.2 74.7 1.0 CD2 B:HIS2984 3.4 0.5 1.0 SG B:CYS2973 3.4 0.0 1.0 CE1 B:HIS2956 3.5 0.7 1.0 CG B:HIS2956 3.8 0.7 1.0 ND1 B:HIS2975 3.8 0.6 1.0 CG B:HIS2975 4.1 0.6 1.0 ND1 B:HIS2984 4.2 0.5 1.0 CZ B:PHE3112 4.2 0.9 1.0 ND1 B:HIS2956 4.2 0.7 1.0 CD1 B:LEU3103 4.2 0.3 1.0 CZ3 B:TRP2983 4.3 0.4 1.0 NE2 B:HIS3116 4.3 0.7 1.0 CE2 B:PHE3112 4.3 0.9 1.0 CG B:HIS2984 4.4 0.5 1.0 CB B:CYS2973 4.4 0.0 1.0 CE1 B:HIS3116 4.4 0.7 1.0 CE3 B:TRP2983 4.9 0.4 1.0

Copper binding site 4 out of 4 in the Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Refined Structure of the Functional Unit (KLH1-H) of Keyhole Limpet Hemocyanin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu3408 b:74.7 occ:1.00 NE2 B:HIS3085 2.2 0.1 1.0 CE1 B:HIS3116 2.4 0.7 1.0 NE2 B:HIS3089 2.5 0.1 1.0 CE1 B:HIS3085 2.8 0.1 1.0 CE1 B:HIS2984 3.0 0.5 1.0 NE2 B:HIS3116 3.1 0.7 1.0 CE1 B:HIS3089 3.1 0.1 1.0 CU B:CU3407 3.2 79.1 1.0 CD2 B:HIS3089 3.4 0.1 1.0 CE1 B:HIS2975 3.5 0.6 1.0 CD2 B:HIS3085 3.5 0.1 1.0 ND1 B:HIS3116 3.5 0.7 1.0 NE2 B:HIS2984 3.6 0.5 1.0 NE2 B:HIS2975 3.6 0.6 1.0 ND1 B:HIS2984 3.9 0.5 1.0 ND1 B:HIS3085 4.1 0.1 1.0 CD2 B:LEU3246 4.1 0.5 1.0 ND1 B:HIS3089 4.2 0.1 1.0 CE2 B:PHE3112 4.2 0.9 1.0 CD2 B:HIS3116 4.3 0.7 1.0 CG B:HIS3089 4.4 0.1 1.0 CG B:HIS3085 4.4 0.1 1.0 CG B:HIS3116 4.6 0.7 1.0 ND1 B:HIS2975 4.6 0.6 1.0 CD2 B:HIS2984 4.7 0.5 1.0 CZ B:PHE3112 4.7 0.9 1.0 NE2 B:HIS2956 4.8 0.7 1.0 CE2 B:PHE2980 4.8 0.1 1.0 CD2 B:HIS2975 4.8 0.6 1.0 CG B:HIS2984 4.8 0.5 1.0 CD2 B:PHE3112 5.0 0.9 1.0

E.Jaenicke, K.Buchler, H.Decker, J.Markl, G.F.Schroder. The Refined Structure of Functional Unit H of Keyhole Limpet Hemocyanin (KLH1-H) Reveals Disulfide Bridges. Iubmb Life V. 63 183 2011.
ISSN: ISSN 1521-6543
PubMed: 21445849
DOI: 10.1002/IUB.435