Structure of PDB 3hk5 Chain A Binding Site BS01

Receptor Information
>3hk5 Chain A (length=410) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SREVLAEKVKNAVNNQPVTDMHTHLFSPNFGEILLWDIDELLTYHYLVAE
VMRWTDVSIEAFWAMSKREQADLIWEELFIKRSPVSEACRGVLTCLQGLG
LDPATRDLQVYREYFAKKTSEEQVDTVLQLANVSDVVMTNDPFDDNERIS
WLEGKQPDSRFHAALRLDPLLNEYEQTKHRLRDWGYKVNDEWNEGSIQEV
KRFLTDWIERMDPVYMAVSLPPTFSFPEESNRGRIIRDCLLPVAEKHNIP
FAMMIGVKKRVHPALGDAGDFVGKASMDGVEHLLREYPNNKFLVTMLSRE
NQHELVVLARKFSNLMIFGCWWFMNNPEIINEMTRMRMEMLGTSFIPQHS
DARVLEQLIYKWHHSKSIIAEVLIDKYDDILQAGWEVTEEEIKRDVADLF
SRNFWRFVGR
Ligand information
Ligand IDRAT
InChIInChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t2-,3-/m0/s1
InChIKeyNPTTZSYLTYJCPR-HRFVKAFMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@@H]([C@H](O)C(O)=O)[C@H](O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O
CACTVS 3.341O[CH]([CH](O)C(O)=O)[CH](O)C(O)=O
ACDLabs 10.04O=C(O)C(O)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)O)(C(C(=O)O)O)O
FormulaC5 H8 O7
NameD-arabinaric acid;
D-arabinarate
ChEMBL
DrugBank
ZINCZINC000001564966
PDB chain3hk5 Chain A Residue 428 [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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PDB3hk5 The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H28 H49 Y50 R170 M258 W325 W326 D355 R357
Binding residue
(residue number reindexed from 1)		H24 H45 Y46 R166 M254 W321 W322 D351 R353
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3hk5, PDBe:3hk5, PDBj:3hk5
PDBsum3hk5
PubMed19678710
UniProtQ9KFI6

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