Structure of PDB 6y8f Chain A Binding Site BS01

Receptor Information

>6y8f Chain A (length=338) Species: 1250278 (Salegentibacter sp. Hel_I_6)

DWGEVAENLQEQTYNIYLTSNGTFRQDNEGNENFNYWWNAHMLDVLIDGY
ERTGDESYLPKMKSLLEGIEVRNGNKYENVFINNMEWLGIACLRTYKLTN
DQQYKEVADLLWEETKQGWSDVHGGGIAWKTDTPNSKNACSNGPAAIFAL
YLYEIDQDEEDLEWAKKIYHWLKDTLVDPESGLVWDNIDYHDGEAIINRD
WIFTYNVGTYIGAANLLHQATGEGMYLDDAIKSASSVVAPGELTTGGVLK
NEGQGDGGLFKGILVRYFTQLALNPDLPDGKRNEFEEFVLFNAETLYHNG
LTSAGLAGPNWNDEPSGRVDLSTQLSGVMLMEAKALLE

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: 6y8f Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6y8f Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi.
• Resolution: 1.472 Å
• Binding residue (original residue number in PDB): W90 F134 N136 N137 W182 D309
• Binding residue (residue number reindexed from 1): W37 F81 N83 N84 W129 D256
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:6y8f, PDBe:6y8f, PDBj:6y8f
• PDBsum: 6y8f
• PubMed: 35414716
• UniProt: A0A7M4DUB5