Structure of PDB 8can Chain D Binding Site BS01

Receptor Information

>8can Chain D (length=683) Species: 7137 (Galleria mellonella)

EPMKNMDMKSKEMCILKLMNHILQPTKAWVLEENEDKYMKMEAVKEFINT
YKMGMLPRGEVFVHMDHKHVEEAVKVFKLLYFANDFDVFLKTACWLRERI
NGGMFVYALTAAIFHRSDCSGIKIPAPYEIYPYLFVDSNILHKAFMMKMS
KAAMDPVMKNYYGIKVKDNSMVIIDWRKGLRHTMSEFDRTSYFTEDIDLN
TYLYYMHMSYPYWMNEDMYRVNKERRGEAMWYGYQQLQARLRLERLSHHM
CDLKPLDLDGTLDEGYWPKILLHTGDEMPVRYNKMKLTNENNIKYRLLLE
DNKRLIRDGIKKGHMAMHDGTTVSLKKPDDIENLCRIVLGGFVSKDDHKG
KSSIWRNLAKTMLSYGTYNMGKYTYIPTAADMYSTALRDPGMWKMLKLIS
EYFIMFKEMLPKYTREELDFPGVKIEQVTTDKLVTFMDEYDVDITNAVYL
DHDEMQKHRSDMMYVARMHRLNHQPFKITIDVASDKAVECVVRVFLGPKL
DCMGRFTSVNDKRNDMVEIDSFLYKLETGKNTIVRDSLEMNNVIKERPWS
RNNWAQDNWWYKSRIGFPHRLLLPMGSHGGMPYQMFVIVTPVRASIDMNT
AKERKACRWTVCMDTMPLGFPFDRPIDETNFYTKNMKFHDVMVYTKDLAM
SNMVKDVDMSEMVMKRDDLTYLDKDMLVKRSYK

Ligand information

• Ligand ID: TRP
• InChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
• InChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)Cc2c1ccccc1nc2
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
  CACTVS 3.341: N[CH](Cc1c[nH]c2ccccc12)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
• Formula: C11 H12 N2 O2
• Name: TRYPTOPHAN
• ChEMBL: CHEMBL54976
• DrugBank: DB00150
• ZINC: ZINC000000083315
• PDB chain: 8can Chain D Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8can Plastic degradation by insect hexamerins: Near-atomic resolution structures of the polyethylene-degrading proteins from the wax worm saliva.
• Resolution: 1.93 Å
• Binding residue (original residue number in PDB): Q278 N583 N584 F618 W665
• Binding residue (residue number reindexed from 1): Q236 N541 N542 F567 W609
• Annotation score: 4

External links

• PDB: RCSB:8can, PDBe:8can, PDBj:8can
• PDBsum: 8can
• PubMed: 37729416
• UniProt: A0A6J1WF64