Structure of PDB 6n2c Chain B Binding Site BS02

Receptor Information
>6n2c Chain B (length=408) Species: 632292 (Caldicellulosiruptor hydrothermalis 108) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPYLLAWDSNIFDFTTYGLFSSDKIIFNNNITVTTRNMYSSSDITLRSDN
NRPGDYTIKADNIIVKNGSFIFGGNNKVVVNNLMYTKNGITFNGNNNRLE
SNSLLFSDGTISLSGKDEIVANALFCDTLDIRNGSSNLVTINEFAYFNKL
NIWTDKMVLKSNSKLFGGDIEIRNDGILSADVGTVVYANNLDIIGSSATI
DAPDTVLYCNNLKIDGEVKLNVKKIVCSGTITISNLNSGTNIRVSDKIEC
RSIPQNIPSGIRNLFVQNPNVNFQIPYPTIPAIIEEIKKNTFPTNWIRLD
NIVEDKKDINGANYYSLVSTGQNSNDINEIFNKNKNNPHSNVQIFVITKS
GINVPPDQNHLDGVLIANGSLQFNGGNLNIEYVRMPQPLIDYLLSKNIIK
IENVQPPV
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 chain6n2c Chain B Residue 703 [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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PDB6n2c Comparative Biochemical and Structural Analysis of Novel Cellulose Binding Proteins (Tapirins) from Extremely ThermophilicCaldicellulosiruptorSpecies.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		C295 Y315 F316 N317
Binding residue
(residue number reindexed from 1)		C126 Y146 F147 N148
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6n2c, PDBe:6n2c, PDBj:6n2c
PDBsum6n2c
PubMed30478233
UniProtE4Q7C4

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