Structure of PDB 5da5 Chain I Binding Site BS01

Receptor Information
>5da5 Chain I (length=91) Species: 1085 (Rhodospirillum rubrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STHEPLEVLKEETVNRHRAIVSVMEELEAVDWYDQRVDASTDPELTAILA
HNRDEEKEHAAMTLEWLRRNDAKWAEHLRTYLFTEGPITAA
Ligand information
Ligand IDGOA
InChIInChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKeyAEMRFAOFKBGASW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CO
OpenEye OEToolkits 1.7.0C(C(=O)O)O
CACTVS 3.370OCC(O)=O
FormulaC2 H4 O3
NameGLYCOLIC ACID;
HYDROXYACETIC ACID;
HYDROXYETHANOIC ACID
ChEMBLCHEMBL252557
DrugBankDB03085
ZINCZINC000004658557
PDB chain5da5 Chain G Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5da5 Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Resolution2.064 Å
Binding residue
(original residue number in PDB)		E32 A35 E62
Binding residue
(residue number reindexed from 1)		E26 A29 E56
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
Cellular Component
GO:0140737 encapsulin nanocompartment

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Molecular Function
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Cellular Component
External links
PDB RCSB:5da5, PDBe:5da5, PDBj:5da5
PDBsum5da5
PubMed27529188
UniProtQ2RVS1|FER_RHORT Encapsulated ferritin-like protein (Gene Name=fer)

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