Structure of PDB 5nln Chain A Binding Site BS01

Receptor Information

>5nln Chain A (length=235)

HTLVWGVWVNGVDQGDGRNIYIRSPPNNNPVKNLTSPDMTCNVDNRVVPK
SVPVNAGDTLTFEWYHNTRDDDIIASSHHGPIAVYIAPAASNGQGNVWVK
LFEDAYNVTNSTWAVDRLITAHGQHSVVVPHVAPGDYLFRAEIIALHEAD
SLYSQNPIRGAQFYISCAQITINSSDDSTPLPAGVPFPGAYTDSTPGIQF
NIYTTPATSYVAPPPSVWSGALGGSIAQVGDASLE

Ligand information

• Ligand ID: XYP
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
• InChIKey: SRBFZHDQGSBBOR-KKQCNMDGSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-xylopyranose;
  beta-D-xylose;
  D-xylose;
  xylose
• ZINC: ZINC000001529215
• PDB chain: 5nln Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nln Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): S77 H147 E148
• Binding residue (residue number reindexed from 1): S77 H147 E148
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.4: cellulase.

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0030245 cellulose catabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:5nln, PDBe:5nln, PDBj:5nln
• PDBsum: 5nln
• PubMed: 29057953
• UniProt: A0A0S2GKZ1|LP9A_PANSI AA9 family lytic polysaccharide monooxygenase A (Gene Name=LPMO9A)