Structure of PDB 4og2 Chain A Binding Site BS01

Receptor Information

>4og2 Chain A (length=364) Species: 240292 (Trichormus variabilis ATCC 29413)

NTIPIGIALAQTSNVALLGQEQVAGAKIAEKYFNDKGGVNGTPIKLIFQD
TAGDEAGTINAFQTLINKDKVVGIVGPTLSQQAFSANPIAERAKVPVVGP
SNTAKGIPEIGDYVARVSAPVSVVAPNSVKAALKQNPNIKKVAVFFAQND
AFSKSETEIFQQTVKDQGLELVTVQKFQTTDTDFQSQATNAINLKPDLVI
ISGLAADGGNLVRQLRELGYQGAIIGGDGLNTSNVFAVCKALCDGVLIAQ
AYSPEYTGEINKAFRQAYVDQYKKEPPQFSAQAFAAVQVYVESLKALDTK
NKVSKIQLPELRTELNKQLLTGKYNTPLGEISFTPIGEVVQKDFYVAQIK
MEKDGSQGKFTFLK

Ligand information

• Ligand ID: LEU
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
• InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C)C[C@@H](C(=O)O)N
  CACTVS 3.341: CC(C)C[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CC(C)CC(C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)CC(C)C
  CACTVS 3.341: CC(C)C[CH](N)C(O)=O
• Formula: C6 H13 N O2
• Name: LEUCINE
• ChEMBL: CHEMBL291962
• DrugBank: DB00149
• ZINC: ZINC000003645145
• PDB chain: 4og2 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4og2 The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with leucine
• Resolution: 1.099 Å
• Binding residue (original residue number in PDB): L70 T130 L131 S132 S153 N154 T155 F204 D280 F331
• Binding residue (residue number reindexed from 1): L18 T78 L79 S80 S101 N102 T103 F152 D228 F279
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:4og2, PDBe:4og2, PDBj:4og2
• PDBsum: 4og2
• UniProt: Q3MFZ5