Structure of PDB 4q9x Chain A Binding Site BS01

Receptor Information
>4q9x Chain A (length=213) Species: 86521 (Clavularia sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVIKPDMKIKLKMEGNVNGYAFVIEGEGEGKPYDGTNTINLEVKEGAPLP
FSYDILTTAFNRAFTKYPDDIPNYFKQSFPEGYSWERTMTFEDKGIVKVK
SDISLEEDSFIYEIYLKGENFPPNGPVMQKKTTGWDASTERMYVRDGVLK
GDVKHKLLLEGGGYYRVDFKTIYRAKKAVKLPDYHFVDHRIEILNYDKDY
NKVTVYESAVARN
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain4q9x Chain A Residue 912 [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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PDB4q9x mTFP*: An imperishable and versatile protein host for anchoring diverse ligands and organocatalysts
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D172 K174
Binding residue
(residue number reindexed from 1)		D168 K170
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0008218 bioluminescence

View graph for
Biological Process
External links
PDB RCSB:4q9x, PDBe:4q9x, PDBj:4q9x
PDBsum4q9x
PubMed
UniProtQ9U6Y3|GFPL_CLASP GFP-like fluorescent chromoprotein cFP484

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