Structure of PDB 4jhu Chain A Binding Site BS01

Receptor Information

>4jhu Chain A (length=496) Species: 195176 (Cerrena caperata)

GIGPVTDLTISDGPVSPDGFTRQAILVNNQFPSPLITGNKGDRFQLNVID
NMNNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISPGHSFLYDFQVP
DQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKDLYDVDDDSTVITLAD
WYHLAAKVGPAVPTADATLINGLGRSISTLNADLAVISVTKGKRYRFRLV
SLSCDPNHTFSIDGHTMTVIEADSVNLKPQVVDSIQIFAAQRYSFVLNAD
QDIGNYWIRAMPNSGTRNFDGGVNSAILRYDGADPVEPTTTQTPSSQPLV
ESALTTLEGTAAPGSPTAGGVDLAINMAFGFAGGRFTINGASFTPPTVPV
LLQILSGAQNAQDLLPTGSVYSLPANADIEISLPATAAAPGFPHPFHLHG
HTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHC
HIDFHLEAGFAVVMAEDIPDVAAVNPVPQAWSDLCPTYNALDPNDQ

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 4jhu Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4jhu Elucidation of the crystal structure of Coriolopsis caperata laccase: restoration of the structure and activity of the native enzyme from the T2-depleted form by copper ions.
• Resolution: 1.89 Å
• Binding residue (original residue number in PDB): H111 H399 H449
• Binding residue (residue number reindexed from 1): H111 H399 H449
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H64 H66 H109 H111 H394 H397 H399 H449 C450 H451 I452 H455 F460
• Catalytic site (residue number reindexed from 1): H64 H66 H109 H111 H394 H397 H399 H449 C450 H451 I452 H455 F460
• Enzyme Commision number: 1.10.3.2: laccase.

Gene Ontology

Molecular Function

• GO:0005507 copper ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0052716 hydroquinone:oxygen oxidoreductase activity

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:4jhu, PDBe:4jhu, PDBj:4jhu
• PDBsum: 4jhu
• PubMed: 25849396
• UniProt: M1GME7