Structure of PDB 3hk9 Chain H Binding Site BS01

Receptor Information
>3hk9 Chain H (length=413) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SINSREVLAEKVKNAVNNQPVTDMHTHLFSPNFGEILLWDIDELLTYHYL
VAEVMRWTDVSIEAFWAMSKREQADLIWEELFIKRSPVSEACRGVLTCLQ
GLGLDPATRDLQVYREYFAKKTSEEQVDTVLQLANVSDVVMTNDPFDDNE
RISWLEGKQPDSRFHAALRLDPLLNEYEQTKHRLRDWGYKVNDEWNEGSI
QEVKRFLTDWIERMDPVYMAVSLPPTFSFPEESNRGRIIRDCLLPVAEKH
NIPFAMMIGVKKRVHPALGDAGDFVGKASMDGVEHLLREYPNNKFLVTML
SRENQHELVVLARKFSNLMIFGCWWFMNNPEIINEMTRMRMEMLGTSFIP
QHSDARVLEQLIYKWHHSKSIIAEVLIDKYDDILQAGWEVTEEEIKRDVA
DLFSRNFWRFVGR
Ligand information
Ligand IDREL
InChIInChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1
InChIKeyIAJILQKETJEXLJ-QTBDOELSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=O)C(C(C(C(C(=O)O)O)O)O)O
CACTVS 3.385O[CH](C=O)[CH](O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.7.6C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
CACTVS 3.385O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
ACDLabs 12.01O=C(O)C(O)C(O)C(O)C(O)C=O
FormulaC6 H10 O7
NameD-glucuronic acid;
D-Glucuronate;
alpha-D-glucofuranuronic acid
ChEMBLCHEMBL1235649
DrugBank
ZINCZINC000100004705
PDB chain3hk9 Chain H Residue 428 [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]
PDB3hk9 The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H26 H28 H49 Y50 R170 M258 W325 W326 D355 R357
Binding residue
(residue number reindexed from 1)		H25 H27 H48 Y49 R169 M257 W324 W325 D354 R356
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3hk9, PDBe:3hk9, PDBj:3hk9
PDBsum3hk9
PubMed19678710
UniProtQ9KFI6

[Back to BioLiP]