Structure of PDB 5ta0 Chain A Binding Site BS01

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: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 5ta0 Chain C Residue 1

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): F246 F282 Q326 H328
• Binding residue (residue number reindexed from 1): F226 F262 Q306 H308
• Annotation score: 4

External links

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