Structure of PDB 3c6q Chain D Binding Site BS01

Receptor Information

>3c6q Chain D (length=305) Species: 2336 (Thermotoga maritima)

MLTIGVIGKSVHPYWSQVEQGVKAAGKALGVDTKFFVPQKCDINAQLQML
ESFIAEGVNGIAIAPSDPTAVIPTIKKALEMGIPVVTLDTDSPDSGRYVY
IGTDNYQAGYTAGLIMKELLGGKGKVVIGTGSLTAMNSLQRIQGFKDAIK
DSEIEIVDILNDCEDGARAVSLAEAALNAHPDLDAFFGVYAYNGPAQALV
VKNAGKVGKVKIVCFDTTPDILQYVKEGVIQATMGQRPYMMGYLSVTVLY
LMNKIGVQNTLMMLPKVKVDGKVDYVIDTGVDVVTPENLDEYLKKMEELG
IPIKF

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: 3c6q Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3c6q Open to closed transition of a thermophilic glucose binding protein
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): K9 Y14 W15 D89 N137 R141 E164 Y190 A191 D216 Q236
• Binding residue (residue number reindexed from 1): K9 Y14 W15 D89 N137 R141 E164 Y190 A191 D216 Q236
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:3c6q, PDBe:3c6q, PDBj:3c6q
• PDBsum: 3c6q
• UniProt: Q9WXW9