Structure of PDB 4ip5 Chain A Binding Site BS01

Receptor Information
>4ip5 Chain A (length=421) Species: 292414 (Ruegeria sp. TM1040) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKITGLRTYDLRFPTSEGLDGSDAMNPDPDYSAAYVILETEGTHEGHGLT
FTIGRGNEICIAAIKALGALVVGLDLDWIREDMGRFWRHVTGDSQLRWIG
PDKGAIHLAAGAVVNAVWDLWAKDTGKPVWRLVADMSPAEILRLIDFRYL
TDVLAPEEALDLLKAAEPGKEERIARLIEEGYPCYTTSAGWLGYSDEKLR
RLCREARAAGFTHTKFKVGRDLSDDIRRLTIAREELGEDMNIMIDANQVW
EVDEAIDWVNRLAFARPLFIEEPTSPDDVLGHKAIREGVAPIKVATGEMC
QNRIMFKQFIASGALDIVQIDSCRMGGLNEVLAVMLVAAKYDLPVWPHAG
GVGLCEYVQHMSMIDYVAICGEKDSKRIEYVDHLHEHFKHPCIVTGGAYQ
APHAPGFSIEMKEDTLDAFLF
Ligand information
Ligand IDEHM
InChIInChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
InChIKeySJYJPXDRLWCEKB-PWNYCUMCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C(=O)NO)O)O)O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)NO)O)O)O
ACDLabs 10.04O=C(NO)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)C(=O)NO
CACTVS 3.341OC[C@@H](O)[C@@H](O)C(=O)NO
FormulaC4 H9 N O5
Name(2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE;
D-ERYTHRONOHYDROXAMATE
ChEMBLCHEMBL117442
DrugBank
ZINC
PDB chain4ip5 Chain A 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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PDB4ip5 Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg and d-erythronohydroxamate
Resolution2.13 Å
Binding residue
(original residue number in PDB)		G22 D24 Y32 K216 K218 D246 N248 E299 H349
Binding residue
(residue number reindexed from 1)		G21 D23 Y31 K215 K217 D245 N247 E298 H348
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K218 D246 N248 E272 E299 D322 H349 E380
Catalytic site (residue number reindexed from 1) K217 D245 N247 E271 E298 D321 H348 E379
Enzyme Commision number 4.2.1.68: L-fuconate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
GO:0050023 L-fuconate dehydratase activity
Biological Process
GO:0009063 amino acid catabolic process
GO:0016052 carbohydrate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4ip5, PDBe:4ip5, PDBj:4ip5
PDBsum4ip5
PubMed
UniProtQ1GLV3

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