Structure of PDB 4rdc Chain A Binding Site BS01

Receptor Information

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

NTIPIGIALAQTSNVALLGQEQVAGAKIAEKYFNDKGGVNGTPIKLIFQD
TAGDEAGTINAFQTLINKDKVVGIVGPTLSQQAFSANPIAERAKVPVVGP
SNTAKGIPEIGDYVARVSAPVSVVAPNSVKAALKQNPNIKKVAVFFAQND
AFSKSETEIFQQTVKDQGLELVTVQKFQTTDTDFQSQATNAINLKPDLVI
ISGLAADGGNLVRQLRELGYQGAIIGGDGLNTSNVFAVCKALCDGVLIAQ
AYSPEYTGEINKAFRQAYVDQYKKEPPQFSAQAFAAVQVYVESLKALDTK
NKVSKIQLPELRTELNKQLLTGKYNTPLGEISFTPIGEVVQKDFYVAQIK
MEKDGSQGKFTFLK

Ligand information

• Ligand ID: PRO
• InChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
• InChIKey: ONIBWKKTOPOVIA-BYPYZUCNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C[C@H](NC1)C(=O)O
  CACTVS 3.341: OC(=O)[C@@H]1CCCN1
  CACTVS 3.341: OC(=O)[CH]1CCCN1
  OpenEye OEToolkits 1.5.0: C1CC(NC1)C(=O)O
  ACDLabs 10.04: O=C(O)C1NCCC1
• Formula: C5 H9 N O2
• Name: PROLINE
• ChEMBL: CHEMBL54922
• DrugBank: DB00172
• ZINC: ZINC000000895360
• PDB chain: 4rdc Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4rdc The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with proline.
• Resolution: 1.198 Å
• Binding residue (original residue number in PDB): L131 S132 S153 N154 T155 F204 D280 F331
• Binding residue (residue number reindexed from 1): L79 S80 S101 N102 T103 F152 D228 F279
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

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