Structure of PDB 4h19 Chain B Binding Site BS03

Receptor Information
>4h19 Chain B (length=372) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKITAVEPFILHLPLTSESISDSTHSITHWGVVGAKITTSDGIEGYGFTG
THAHLPSDRLITSCISDCYAPLLLGEDASDHSRLWTKLARYPSLQWVGRA
GITHLALAAVDVALWDIKAKKAGVPLWHYLGGARTAGVEAYNTDIGWLSF
TLEDLLAGSARAVEEDGFTRLKIKVGHDDPNIDIARLTAVRERVDSAVRI
AIDGNGKWDLPTCQRFCAAAKDLDIYWFEEPLWYDDVTSHARLARNTSIP
IALGEQLYTVDAFRSFIDAGAVAYVQPDVTRLGGITEYIQVADLALAHRL
PVVPHAGEMSQVHVHLSYWHPASTILEYIPWIKDHFEEPIHVRDGVYKRP
EQPGASTTPLAESFTRYGKAVK
Ligand information
Ligand ID0YR
InChIInChI=1S/C5H11NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10,12H,1H2,(H,6,11)/t2-,3-,4-/m1/s1
InChIKeyAGVYHANDLPZRFS-BXXZVTAOSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NO)C(O)C(O)C(O)CO
OpenEye OEToolkits 1.7.6C(C(C(C(C(=O)NO)O)O)O)O
OpenEye OEToolkits 1.7.6C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)[CH](O)C(=O)NO
CACTVS 3.370OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)NO
FormulaC5 H11 N O6
Name(2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamide;
D-ribonohydroxamate
ChEMBL
DrugBank
ZINC
PDB chain4h19 Chain B Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4h19 Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502087) from agrobacterium tumefaciens, with bound Mg and d-ribonohydroxamate, ordered loop
Resolution1.8 Å
Binding residue
(original residue number in PDB)
D22 H25 H52 K172 K174 D203 N205 E229 E255 H305 E327
Binding residue
(residue number reindexed from 1)
D22 H25 H52 K172 K174 D203 N205 E229 E255 H305 E327
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I20 T51 T143 K172 K174 D203 N205 E229 G254 E255 Q276 D278 H305 A306 G307 E327
Catalytic site (residue number reindexed from 1) I20 T51 T143 K172 K174 D203 N205 E229 G254 E255 Q276 D278 H305 A306 G307 E327
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0016052 carbohydrate catabolic process

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:4h19, PDBe:4h19, PDBj:4h19
PDBsum4h19
PubMed
UniProtQ7CU39

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