Structure of PDB 5ihk Chain A Binding Site BS01

Receptor Information
>5ihk Chain A (length=56) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KELVLALYDYQEKSPREVTMKKGDILTLLNSTNKDWWKVEVADRQGFVPA
AYVKKL
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain5ihk Chain A Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5ihk Crystal Structure of the alpha spectrin SH3 domain mutant N47A
Resolution1.35 Å
Binding residue
(original residue number in PDB)		S19 E22 W41
Binding residue
(residue number reindexed from 1)		S14 E17 W36
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5ihk, PDBe:5ihk, PDBj:5ihk
PDBsum5ihk
PubMed
UniProtP07751|SPTN1_CHICK Spectrin alpha chain, non-erythrocytic 1 (Gene Name=SPTAN1)

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