Structure of PDB 8ohw Chain BBB Binding Site BS01

Receptor Information
>8ohw Chain BBB (length=437) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSSSANVAMTLPADAPRIARDFAGLSIEKAALSYPLLSGENGNMVGLFNR
LGAGVLRIGGNSSDASGWQRTGPDETSGVITPAAVDRLASFVQACRWRVI
YGLNFVGNDPATIADEAAYAAQALGVQLAGFEIGNEPDLYAQHGLAPNAN
TYPGFVSRWTTFANAIRAAVPDAVFTGPATAWNYQRYTVPFASDAAGLVS
LLTQHHYRNPDSATIEAMLSPDPSLAPMLQALQGAASARGIGFRLAETNS
YWGGGKPGVSDAHASALWVINFLFAVAQGGASGVNLHTGGGASYSAIKTN
KTAGTVAAIGPEYYGIYLFNQAAGGRLMQTRVDSAGTTLFAHAVAADGGG
VRLILVNTDANSGYDVAVDCSSVPNARAGIVTTLGGPSLGSLTGTQIDGA
TFALDGSGAPGGRPVACVNGVLGVHVASASALLVDFA
Ligand information
Ligand IDVON
InChIInChI=1S/C6H11NO5/c8-3-2(6(11)12)1-7-5(10)4(3)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4-,5+/m0/s1
InChIKeyZIPHSWANMLXHEB-NEEWWZBLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@@H]([C@@H]([C@@H]([C@H](N1)O)O)O)C(=O)O
CACTVS 3.385O[C@H]1NC[C@@H]([C@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7C1C(C(C(C(N1)O)O)O)C(=O)O
CACTVS 3.385O[CH]1NC[CH]([CH](O)[CH]1O)C(O)=O
FormulaC6 H11 N O5
Name(3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8ohw Chain BBB Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ohw Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
Resolution1.27 Å
Binding residue
(original residue number in PDB)		E36 G68 N69 N143 E144 E255 W260 G261 G262 Y302
Binding residue
(residue number reindexed from 1)		E28 G60 N61 N135 E136 E247 W252 G253 G254 Y294
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links