Structure of PDB 1w9v Chain B Binding Site BS01

Receptor Information

>1w9v Chain B (length=394) Species: 746128 (Aspergillus fumigatus)

ASSGYRSVVYFVNWAIYGRNHNPQDLPVERLTHVLYAFANVRPETGEVYM
TDSWADIEKHYPGDSWSDTGNNVYGCIKQLYLLKKQNRNLKVLLSIGGWT
YSPNFAPAASTDAGRKNFAKTAVKLLQDLGFDGLDIDWEYPENDQQANDF
VLLLKEVRTALDSYSAANAGGQHFLLTVASPAGPDKIKVLHLKDMDQQLD
FWNLMAYDYAGSFSSLSGHQANVYNDTSNPLSTPFNTQTALDLYRAGGVP
ANKIVLGMPLYGRSFANTDGPGKPYNGVGQGSWENGVWDYKALPQAGATE
HVLPDIMASYSYDATNKFLISYDNPQVANLKSGYIKSLGLGGAMWWDSSS
DKTGSDSLITTVVNALGGTGVFEQSQNELDYPVSQYDNLRNGMQ

Ligand information

>1w9v Chain D (length=5) Species: 62887 (Gliocladium)

RFDDA

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1w9v Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): Y48 W137 D175 E177 M243 Y245 D246 F251 W384
• Binding residue (residue number reindexed from 1): Y10 W99 D137 E139 M205 Y207 D208 F213 W346

Enzymatic activity

• Catalytic site (original residue number in PDB): D173 D175 E177 Y245
• Catalytic site (residue number reindexed from 1): D135 D137 E139 Y207
• Enzyme Commision number: 3.2.1.14: chitinase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0008061 chitin binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:1w9v, PDBe:1w9v, PDBj:1w9v
• PDBsum: 1w9v
• PubMed: 15664516
• UniProt: E9QRF2|CHIB1_ASPFU Endochitinase B1 (Gene Name=chiB1)