Structure of PDB 4ry8 Chain A Binding Site BS01

Receptor Information

>4ry8 Chain A (length=315) Species: 416591 (Pseudothermotoga lettingae TMO)

PKNVRIALVREVGEGSFFERYLAGAQSMARELGVTLLEATAHGDMARMVT
MIENFITQRVDAIIIDHGRPDPLMPKIKEALDRGIRVVTFDLVVDDNRVP
EIEQDDLLIGYLISKQLAVDFAGNANVIYVNVGGFAPLDKRDKMWQIIKW
RFPGIKEVAKIGAVTGSTAADTQTRMEAAMKEKPEANAVLAMWDEFAKGA
VRAIMQAGKSDQFKVYSVDVTTEDIQMMIQQNSPWVATVGTDSYAVGRLA
VRAAAALVGGEKLPKYLLVEPQLITRQFLVDNNITNMDELVKALPALGES
NLVWPEWLKALTEKN

Ligand information

• Ligand ID: SR1
• InChI: InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
• InChIKey: OLVVOVIFTBSBBH-KAZBKCHUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CSCC1C(C(C(O1)O)O)O
  OpenEye OEToolkits 1.5.0: CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O
  ACDLabs 10.04: OC1C(OC(O)C1O)CSC
  CACTVS 3.341: CSC[CH]1O[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: CSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
• Formula: C6 H12 O4 S
• Name: 5-S-methyl-5-thio-alpha-D-ribofuranose;
  5-S-methyl-5-thio-alpha-D-ribose;
  5-S-methyl-5-thio-D-ribose;
  5-S-methyl-5-thio-ribose
• PDB chain: 4ry8 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ry8 Crystal structure of 5-methylthioribose binding protein TLET_1677 from Thermotoga lettingae TARGET EFI-511109
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): F48 H98 D122 Q135 F166 P168 R172 W224 D250
• Binding residue (residue number reindexed from 1): F17 H67 D91 Q104 F135 P137 R141 W193 D219
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:4ry8, PDBe:4ry8, PDBj:4ry8
• PDBsum: 4ry8
• UniProt: A8F7U7