Structure of PDB 5ta0 Chain A Binding Site BS03

Receptor Information

>5ta0 Chain A (length=626) Species: 820 (Bacteroides uniformis)

QTHVQLNLNVKHKLGDVTEFNRPKFINFHATINENYWDSANKIADLRDDL
IRKYDVYVGRETGMIKTVLRNVKEDPERPGFADPDDLARLCSQNKKRYVQ
NTKVHPYEKYSNLILCNQFSPFYPDGTKTLKGWALSQKDTEDEPFGTASG
EFYGRYIKEYFGEGGESGEPKPGFCEVINEPLWDIYDKPKAPKSSITKLF
EFHSTIAAQVKKFNPDMKVGGYCTAFPDFELQNFGRWNARWKQFIDIAGK
DMDFFTIHLYDFPCKDGKQMYRKGSNMEATMDMIEQYSMIKLGEVKPLMI
SQYSAQTHDYNRKPWSPYRDWLRLKSTNSMLMQFMERTDNICYAMPFAML
KSEWGYNPKTGLAHTARMLRRENEPESFTGEYVYSELIKFYQLWKDVKGT
RVETNCDNPDIMCDAYVDGKNVYFIINNLDFKPVDLNLSVNGTSKDAKSI
EVRHLYLKGGKDGVPILDVYDAKSLDHFTLETEATCVICYNFDRKVKINE
TMEEVKYYATDYLKEIAAGKELVFNINNVKKTEYGEAVIRLGLGRNHGLS
LLPELLVNGKKVDIPDNFRGDVQKDRASFFGVIEVPVDYSILKGNNTISL
KFPDNGGHVSTVTMQIFNFSNNIRGI

Ligand information

• Ligand ID: AAL
• InChI: InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1
• InChIKey: DCQFFOLNJVGHLW-DSOBHZJASA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O
  ACDLabs 11.02: OC2OC1C(O)C(OC1)C2O
  OpenEye OEToolkits 1.7.0: C1C2C(C(O1)C(C(O2)O)O)O
  CACTVS 3.352: O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
  CACTVS 3.352: O[C@@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O
• Formula: C6 H10 O5
• Name: 3,6-anhydro-alpha-L-galactopyranose;
  3,6-ANHYDRO-L-GALACTOSE;
  3,6-anhydro-alpha-L-galactose;
  3,6-anhydro-galactose
• ZINC: ZINC000005851684
• PDB chain: 5ta0 Chain C Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ta0 Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): H49 T82 N199
• Binding residue (residue number reindexed from 1): H29 T62 N179
• Annotation score: 1

External links

• PDB: RCSB:5ta0, PDBe:5ta0, PDBj:5ta0
• PDBsum: 5ta0
• PubMed: 29535379
• UniProt: A0A2D0TCD2