Structure of PDB 1lcz Chain A Binding Site BS01

Receptor Information

>1lcz Chain A (length=119) Species: 1895 (Streptomyces avidinii)

GITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPA
TDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTT
EANAWKSTLVGHDTFTKVK

Ligand information

• Ligand ID: BH7
• InChI: InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
• InChIKey: CMUGHZFPFWNUQT-HUBLWGQQSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2
  ACDLabs 10.04: O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCCC(=O)O
  OpenEye OEToolkits 1.5.0: C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2
  CACTVS 3.341: OC(=O)CCCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
  CACTVS 3.341: OC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
• Formula: C16 H27 N3 O4 S
• Name: E-AMINO BIOTINYL CAPROIC ACID;
  6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID
• DrugBank: DB03139
• ZINC: ZINC000005185702
• PDB chain: 1lcz Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1lcz Ligand exchange between proteins: exchange of biotin and biotin derivatives between avidin and streptavidin
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): S27 Y43 S45 V47 G48 N49 W79 T90 W108 S112 D128
• Binding residue (residue number reindexed from 1): S12 Y28 S30 V32 G33 N34 W64 T75 W93 S97 D113
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0009374 biotin binding

External links

• PDB: RCSB:1lcz, PDBe:1lcz, PDBj:1lcz
• PDBsum: 1lcz
• PubMed: 12055191
• UniProt: P22629|SAV_STRAV Streptavidin