Structure of PDB 3vmo Chain A Binding Site BS03

Receptor Information

>3vmo Chain A (length=628) Species: 1309 (Streptococcus mutans)

NMINLTTDKAVYQAGEAVHLNLTLNNTTSLAQNITATAEVYSLENKLKTL
QYTKYLLPNESYTTQKGEFVIPANSLANNRGYLLKVNISDSQNNILEQGN
RAIAVEDDWRTFPRYAAIGGSQKDNNSVLTKNLPDYYRELEQMKNMNINS
YFFYDVYKSATNPFPNVPKFDQSWNWWSHSQVETDAVKALVNRVHQTGAV
AMLYNMILAQNANETAVLPDTEYIYNYETGGYGQNGQVMTYSPLQYYYNP
LSKSWQNYISNAMAQAMKNGGFDGWQGDTIGDNRVLSHNQKDSRDIAHSF
MLSDVYAEFLNKMKEKLPQYYLTLNDVNGENISKLANSKQDVIYNELWPF
GTSALGNRPQESYGDLKARVDQVRQATGKSLIVGAYMEEPKFDDNRIPLN
GAARDVLASATYQTDAVLLTTAAIAAAGGYHMSLAALANPNDGGGVGVLE
TAYYPTQSLKVSKELNRKNYHYQQFITAYENLLRDKVENDSAEPQTFTAN
GRQLSQDALGINGDQVWTYAKKGNDFRTIQLLNLMGITSDWKNEDGYENN
KTPDEQTNLLVTYPLTGVSMAEADRIAKQVYLTSPDDWLQSSMISLATQV
KTNENGDPVLYIQVPRLTLWDMIYILEH

Ligand information

• Ligand ID: GLC
• 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-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](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
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 3vmo Chain B Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vmo Structural elucidation of dextran degradation mechanism by streptococcus mutans dextranase belonging to glycoside hydrolase family 66
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): Y560 T563
• Binding residue (residue number reindexed from 1): Y453 T456
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.11: dextranase.

External links

• PDB: RCSB:3vmo, PDBe:3vmo, PDBj:3vmo
• PDBsum: 3vmo
• PubMed: 22337884
• UniProt: Q54443|DEXT_STRMU Dextranase (Gene Name=dexA)