Structure of PDB 7mp4 Chain D Binding Site BS01

Receptor Information

>7mp4 Chain D (length=534) Species: 65032 (Epiphyas postvittana)

SKPVVRVTQGVLQGSWKVSTHGRTYASFEGVPYARPPVGKYRFREPQHLK
PWAGVWDASKTLPQCLQWDPFQQEVSGSENCLYINVHTPKLSAGASLPVV
VFIHGGAFMYGAGSLYDVSHLMDRDVVAVTFNYRLGPLGFLSTGDESAPG
NAGLKDQAFALQWVKNNVMMFGGNPDSVTLTGCSAGGASVHYHYLSPLSK
GNFARGIAFSGAAFASWTHAVKPLQNARSLAAIVGCPTGTNRELVDCLKY
RPAEVVVGAQIEMLEFPYQQMFTPFTPTVEPQGTRDAFLTQYPFLVAQAG
GMHKVPLITSVTSEEGLYPAAVYQKSPDTLAYLEANWDQLASNIFEYNDT
LPVNQRAGVAAKIKQRYLGNKPVSQETYPQLVQALGDRLFAVDVGKLAQI
HARHSGQPTYLYRYSFRGEKSLSNMMASNDKNYGVSHADDIFHIFKFPSL
SSTSSEDVRMTEALIDMIYSFSTTGNPKLTNEAPVWTPVTPGSAELSYLE
IASPSRMEMKSSSDFGHRSFWDSLGFVENENYRH

Ligand information

• Ligand ID: MAN
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 7mp4 Chain L Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mp4 Structure of an antennally-expressed carboxylesterase suggests lepidopteran odorant degrading enzymes are broadly tuned
• Resolution: 2.43 Å
• Binding residue (original residue number in PDB): R228 T238
• Binding residue (residue number reindexed from 1): R228 T238
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.1.1: carboxylesterase.

Gene Ontology

Molecular Function

• GO:0017171 serine hydrolase activity

External links

• PDB: RCSB:7mp4, PDBe:7mp4, PDBj:7mp4
• PDBsum: 7mp4
• UniProt: A0A0K8TUN4