Structure of PDB 6ryx Chain A Binding Site BS01

Receptor Information

>6ryx Chain A (length=626) Species: 645133 (Colletotrichum graminicola M1.001)

TVWETPIGVKYTQSSLECAKICDSDARCNRAVYLTNDLPEGAFISTCSFN
ETSYRNAEYRICPDTDYTGVNAKVVEGVTTIQACAELCSNTQDCRKSVFD
HINNACAIKAAEPATSIFWVQDKQFSTIRLPENIDPAVKGKWGDLIRLPV
IPVAAYIVPSYPEPSRLLFFSSWSNDFSASGMTQFGDYDFATGAISQRTV
TNTHHDMFCPGISQLEDGRILIQGGSDADTVSIYDPATNEFTRGPNMTLA
RGYQTSCTLSNGKVFTIGGAWSGERVGKNGEVYDPVANAWTYLPGADFRP
MLTNDHEGIWREDNHAWLFGWKNGSIFQAGPSKDQHWYGIQGNGTVAKAA
TRDDDDAMCGVWVMYDAVAGKIFSAGGSPDYTDSPATQRAHITTIGEPNT
PAEVERVADMGFPRGFANAVVLPDGQVLVTGGQRMSLVFTNTDGILVAEL
FNPETREWKQMAPMAVPRNYHSVSILLPDATVFSGGGGMCWVQNVGDSTA
GCDKTVDHSDGEIFEPPYLFNEDGSRAARPVISAISADPIKAGATLTFTV
EGVEGQGTAALIRLGSVTHSVNSDQRRVPLNVTVSGNEYSATLPDDYGIL
LPGYYYLFVSTPQGTPSIAKTVHVIL

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: 6ryx Chain A Residue 803

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ryx Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): Y316 Y533 H534 H632
• Binding residue (residue number reindexed from 1): Y253 Y470 H471 H569
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C272 Y316 W334 Y533 H534 H632
• Catalytic site (residue number reindexed from 1): C209 Y253 W271 Y470 H471 H569
• Enzyme Commision number: 1.1.3.7: aryl-alcohol oxidase.

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:6ryx, PDBe:6ryx, PDBj:6ryx
• PDBsum: 6ryx
• UniProt: E3Q9X3