Structure of PDB 8qcl Chain B Binding Site BS01

Receptor Information
>8qcl Chain B (length=389) Species: 435590 (Phocaeicola vulgatus ATCC 8482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDYAKLANYDESKVPQYTLPSVLMCHDGEMVQTKEQWEQKRRPEILNLFT
TYMFGKAPVLKHKLPCTVSRINEKALNGRATRKEITIQLTDDPQGPHIDL
QLYLPNHVSGKIPVFLGISFMPNYTIYDDPDLSVPSFRGSMDKSWQLDKI
LEHGYGLATFCYNDVDPDFDDDFQNGVHPYYYEKGQNFPDPDQWGSIAAW
AWGMSRAMDYLETDKKVDAKKVAVIGHSRLGKTAVWAGASDPRFALVISG
NSGCCGVAISRRCFGETVEAMNVRFPHWFCGNYKQFNDREKYLPFDQHEL
VALIAPRPIYIASAEEDNWSDQKGEFLGGKGAEPVYALYGLGGIGCEEMP
PVDTPYMNGPIAYHNRKGPHAVLPYDWEQFLRFADKYFK
Ligand information
Ligand IDGCU
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
InChIKeyAEMOLEFTQBMNLQ-WAXACMCWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
CACTVS 3.341O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
FormulaC6 H10 O7
Namealpha-D-glucopyranuronic acid;
alpha-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBL
DrugBank
ZINCZINC000004213449
PDB chain8qcl Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8qcl A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482
Resolution1.84 Å
Binding residue
(original residue number in PDB)		S264 R265 K268 E302
Binding residue
(residue number reindexed from 1)		S228 R229 K232 E266
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links