Structure of PDB 4rv5 Chain B Binding Site BS01
Receptor Information
>4rv5 Chain B (length=364) Species:
240292
(Trichormus variabilis ATCC 29413) [
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NTIPIGIALAQTSNVALLGQEQVAGAKIAEKYFNDKGGVNGTPIKLIFQD
TAGDEAGTINAFQTLINKDKVVGIVGPTLSQQAFSANPIAERAKVPVVGP
SNTAKGIPEIGDYVARVSAPVSVVAPNSVKAALKQNPNIKKVAVFFAQND
AFSKSETEIFQQTVKDQGLELVTVQKFQTTDTDFQSQATNAINLKPDLVI
ISGLAADGGNLVRQLRELGYQGAIIGGNGLNTSNVFAVCKALCDGVLIAQ
AYSPEYTGEINKAFRQAYVDQYKKEPPQFSAQAFAAVQVYVESLKALDTK
NKVSKIQLPELRTELNKQLLTGKYNTPLGEISFTPIGEVVQKDFYVAQIK
MEKDGSQGKFTFLK
Ligand information
Ligand ID
PYR
InChI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKey
LCTONWCANYUPML-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6
CC(=O)C(=O)O
ACDLabs 12.01
O=C(C(=O)O)C
Formula
C3 H4 O3
Name
PYRUVIC ACID
ChEMBL
CHEMBL1162144
DrugBank
DB00119
ZINC
ZINC000001532517
PDB chain
4rv5 Chain B Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
4rv5
The crystal structure of a solute-binding protein from Anabaena variabilis ATCC 29413 in complex with pyruvic acid
Resolution
1.04 Å
Binding residue
(original residue number in PDB)
L131 S132 S153 N154 T155 F204
Binding residue
(residue number reindexed from 1)
L79 S80 S101 N102 T103 F152
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0046872
metal ion binding
View graph for
Molecular Function
External links
PDB
RCSB:4rv5
,
PDBe:4rv5
,
PDBj:4rv5
PDBsum
4rv5
PubMed
UniProt
Q3MFZ5
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