Structure of PDB 5hlm Chain B Binding Site BS01

Receptor Information

>5hlm Chain B (length=108) Species: 9031 (Gallus gallus)

KCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVIKESPLHGTQNTQPT
FGFTVNWKFSESTTVFTGQCFIDGKEVLKTMWLLRSSVNDIGDDWKATRV
GINIFTRL

Ligand information

• Ligand ID: B9F
• InChI: InChI=1S/C15H21N2O2S.C5H5.Fe/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14;1-2-4-5-3-1;/h1-2,5-6,11-14,18H,3-4,7-9H2,(H2,16,17,19);1-5H;/t11-,12-,13-,14-;;/m0../s1
• InChIKey: ZYEYPNBFMRLUKC-MIZLAOAMSA-N
• SMILES:
  OpenEye OEToolkits 2.0.4: C1[C@H]2[C@@H]([C@@H](S1)CCCC[C@@H](C34C5[Fe]3678913(C5C6C74)C4C8C9C1C34)O)NC(=O)N2
  CACTVS 3.385: [Fe].O[C@@H](CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C3CCCC3.C4CCCC4
  CACTVS 3.385: [Fe].O[CH](CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C3CCCC3.C4CCCC4
  OpenEye OEToolkits 2.0.4: C1C2C(C(S1)CCCCC(C34C5[Fe]3678913(C5C6C74)C4C8C9C1C34)O)NC(=O)N2
• Formula: C20 H26 Fe N2 O2 S
• Name: [(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron
• PDB chain: 5hlm Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hlm Ferrocene-Biotin Conjugates: Synthesis, Structure, Cytotoxic Activity and Interaction with Avidin
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): S16 Y33 T35 W70 S73 S75 T77 W97 R114
• Binding residue (residue number reindexed from 1): S14 Y31 T33 W57 S60 S62 T64 W82 R99
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0009374 biotin binding

Biological Process

• GO:0019731 antibacterial humoral response

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:5hlm, PDBe:5hlm, PDBj:5hlm
• PDBsum: 5hlm
• UniProt: P02701|AVID_CHICK Avidin (Gene Name=AVD)