Structure of PDB 6n2c Chain B Binding Site BS03

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 IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain6n2c Chain B Residue 705 [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)		N311 E312 N331
Binding residue
(residue number reindexed from 1)		N142 E143 N162
Annotation score3
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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