Structure of PDB 6g0b Chain A Binding Site BS02

Receptor Information

>6g0b Chain A (length=393) Species: 377629 (Teredinibacter turnerae T7901)

GAVATGEYRNLFAEIGKSEIDIQRKIDEAFQHLFYGDAKDAAVYYQAGGN
ENGPLAYVYDVNSNDVRSEGMSYGMMITVQMDKKAEFDAIWNWAKTYMYQ
DSPTHPAFGYFAWSMRRDGVANDDMPAPDGEEYFVTALYFAAARWGNGEG
IFNYQQEADTILSRMRHRQVITGPTNRGVMTATNLFHPEEAQVRFTPDIN
NADHTDASYHLPSFYEIWARVAPQEDRAFWAKAADVSRDYFAKAAHPVTA
LTPDYGNFDGTPWAASWRPESVDFRYDAWRSVMNWSMDYAWWGKDSGAPA
RSDKLLAFFETQEGKMNHLYSLDGKPLGGGPTLGLISMNATAAMAATDPR
WHNFVEKLWQQQPPTGQYRYYDGVLYLMALLHCAGEYKAWIPD

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: 6g0b Chain B Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6g0b Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D127 M129 R181 D202 W271
• Binding residue (residue number reindexed from 1): D123 M125 R177 D198 W267
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.4: cellulase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0008810 cellulase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:6g0b, PDBe:6g0b, PDBj:6g0b
• PDBsum: 6g0b
• PubMed: 30289404
• UniProt: C5BJ89