Structure of PDB 3sqr Chain A Binding Site BS04

Receptor Information

>3sqr Chain A (length=539) Species: 139639 (Botrytis aclada)

SCANSATSRSCWGEYSIDTNWYDVTPTGVTREYWLSVENSTITPDGYTRS
AMTFNGTVPGPAIIADWGDNLIIHVTNNLEHNGTSIHWHGIRQLGSLEYD
GVPGVTQCPIAPGDTLTYKFQVTQYGTTWYHSHFSLQYGDGLFGPLIING
PATADYDEDVGVIFLQDWAHESVFEIWDTARLGAPPALENTLMNGTNTFD
CSASTDPNCVGGGKKFELTFVEGTKYRLRLINVGIDSHFEFAIDNHTLTV
IANDLVPIVPYTTDTLLIGIGQRYDVIVEANAAADNYWIRGNWGTTCSTN
NEAANATGILRYDSSSIANPTSVGTTPRGTCEDEPVASLVPHLALDVGGY
SLVDEQVSSAFTNYFTWTINSSSLLLDWSSPTTLKIFNNETIFPTEYNVV
ALEQEEWVVYVIEDLTGFGIWHPIHLHGHDFFIVAQETDVFNSDESPAKF
NLVNPPRRDVAALPGNGYLAIAFKLDNPGSWLLHCHIAWHASEGLAMQFV
ESQSSIAVKMTDTAIFEDTCANWNAYTPTQLFAEDDSGI

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: 3sqr Chain A Residue 546

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3sqr Effect of the L499M mutation of the ascomycetous Botrytis aclada laccase on redox potential and catalytic properties.
• Resolution: 1.67 Å
• Binding residue (original residue number in PDB): H89 H131 H490
• Binding residue (residue number reindexed from 1): H89 H131 H486
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H87 H89 H131 H133 H426 H429 H431 H488 C489 H490 I491 H494 L499
• Catalytic site (residue number reindexed from 1): H87 H89 H131 H133 H422 H425 H427 H484 C485 H486 I487 H490 L495
• Enzyme Commision number: 1.10.3.2: laccase.

Gene Ontology

Molecular Function

• GO:0005507 copper ion binding
• GO:0016491 oxidoreductase activity

External links

• PDB: RCSB:3sqr, PDBe:3sqr, PDBj:3sqr
• PDBsum: 3sqr
• PubMed: 25372682
• UniProt: H8ZRU2