Structure of PDB 8ohw Chain AAA Binding Site BS01

Receptor Information
>8ohw Chain AAA (length=437) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSSANVAMTLPADAPRIARDFAGLSIEKAALSYPLLSGENGNMVGLFNRL
GAGVLRIGGNSSDASGWQRTGPDETSGVITPAAVDRLASFVQACRWRVIY
GLNFVGNDPATIADEAAYAAQALGVQLAGFEIGNEPDLYAQHGLAPNANT
YPGFVSRWTTFANAIRAAVPDAVFTGPATAWNYQRYTVPFASDAAGLVSL
LTQHHYRNPDSATIEAMLSPDPSLAPMLQALQGAASARGIGFRLAETNSY
WGGGKPGVSDAHASALWVINFLFAVAQGGASGVNLHTGGGASYSAIKTNK
TAGTVAAIGPEYYGIYLFNQAAGGRLMQTRVDSAGTTLFAHAVAADGGGV
RLILVNTDANSGYDVAVDCSSVPNARAGIVTTLGGPSLGSLTGTQIDGAT
FALDGSGAPQGGRPVACVNGVLGVHVASASALLVDFA
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 AAA 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 Y302
Binding residue
(residue number reindexed from 1)		E27 G59 N60 N134 E135 E246 W251 G252 Y293
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links