Structure of PDB 4h19 Chain B Binding Site BS02

Receptor Information

>4h19 Chain B (length=372) Species: 176299 (Agrobacterium fabrum str. C58)

MKITAVEPFILHLPLTSESISDSTHSITHWGVVGAKITTSDGIEGYGFTG
THAHLPSDRLITSCISDCYAPLLLGEDASDHSRLWTKLARYPSLQWVGRA
GITHLALAAVDVALWDIKAKKAGVPLWHYLGGARTAGVEAYNTDIGWLSF
TLEDLLAGSARAVEEDGFTRLKIKVGHDDPNIDIARLTAVRERVDSAVRI
AIDGNGKWDLPTCQRFCAAAKDLDIYWFEEPLWYDDVTSHARLARNTSIP
IALGEQLYTVDAFRSFIDAGAVAYVQPDVTRLGGITEYIQVADLALAHRL
PVVPHAGEMSQVHVHLSYWHPASTILEYIPWIKDHFEEPIHVRDGVYKRP
EQPGASTTPLAESFTRYGKAVK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4h19 Chain B Residue 405

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4h19 Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502087) from agrobacterium tumefaciens, with bound Mg and d-ribonohydroxamate, ordered loop
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D203 E229 E255
• Binding residue (residue number reindexed from 1): D203 E229 E255
• Annotation score: 4

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

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

External links

• PDB: RCSB:4h19, PDBe:4h19, PDBj:4h19
• PDBsum: 4h19
• UniProt: Q7CU39