Structure of PDB 4h19 Chain B Binding Site BS01

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4h19 Chain B Residue 401 [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)		D268 H298
Binding residue
(residue number reindexed from 1)		D268 H298
Annotation score4
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4h19, PDBe:4h19, PDBj:4h19
PDBsum4h19
PubMed
UniProtQ7CU39

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