Structure of PDB 3hk7 Chain A Binding Site BS01

Receptor Information
>3hk7 Chain A (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 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 chain3hk7 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

[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]
PDB3hk7 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)		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 score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3hk7, PDBe:3hk7, PDBj:3hk7
PDBsum3hk7
PubMed19678710
UniProtQ9KFI6

[Back to BioLiP]