Structure of PDB 6g7n Chain B Binding Site BS01

Receptor Information

>6g7n Chain B (length=318) Species: 203124 (Trichodesmium erythraeum IMS101)

GAINLYSSRHYDTDQALYDSFTKKTGLKVNLIEGKGDKLIERIKSEGANS
PADVFMTVDAGRLWRAQEAGILQPISSSTLNNKIPANLRSPEKLWFGFSK
RARVIMYNKNKVQPSELSTYEDLAQNKWKGKIVIRSSSNIYNQSLIASLI
EIHGMSDAEGWAKGFVRNFARPPEGNDTAQIKAVAAGIGDIGLANSYYLA
RLKRSSKPEDQAVADKVGMFFPNQNGRGTHVNISGGGVVKNAPNKEGAIK
FLEYLVSPEAQKIFSEGNNEYPVVAGVPIASVLKPFGSFKNDSTNVSVYG
KLNADAIKLMDRVGWKLE

Ligand information

• Ligand ID: DAL
• InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
• InChIKey: QNAYBMKLOCPYGJ-UWTATZPHSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C(=O)O)N
  CACTVS 3.341: C[CH](N)C(O)=O
  CACTVS 3.341: C[C@@H](N)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)C
  OpenEye OEToolkits 1.5.0: C[C@H](C(=O)O)N
• Formula: C3 H7 N O2
• Name: D-ALANINE
• ChEMBL: CHEMBL66693
• DrugBank: DB01786
• ZINC: ZINC000004658556
• PDB chain: 6g7n Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6g7n Structural and functional characterization of IdiA/FutA (Tery_3377), an iron-binding protein from the ocean diazotrophTrichodesmium erythraeum.
• Resolution: 1.1 Å
• Binding residue (original residue number in PDB): Y14 R104 Y144 Y200 N271
• Binding residue (residue number reindexed from 1): Y11 R101 Y141 Y197 N268
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Biological Process

• GO:0006826 iron ion transport

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:6g7n, PDBe:6g7n, PDBj:6g7n
• PDBsum: 6g7n
• PubMed: 30217820
• UniProt: Q10Z45