Structure of PDB 4ipm Chain A Binding Site BS01

Receptor Information
>4ipm Chain A (length=431) Species: 161573 (Limnoria quadripunctata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQAGTETEEYHLPLTWERDGSSVSASVVIDSNWRWTHSTEDTTNCYDGNE
WDSTLCPDADTCTENCAIDGVDQGTWGDTYGITASGSKLTLSFVTEGEYS
TDIGSRVFLMADDDNYEIFNLLDKEFSFDVDASNLPCGLNGALYFVSMDE
DGGTSKYSTNTAGAKYGTGYCDAQCPHDMKFIAGKANSDGWTPSDNDQNA
GTGEMGACCHEMDIWEANSQAQSYTAHVCSVDGYTPCTGTDCGDNGDDRY
KGVCDKDGCDYAAYRLGQHDFYGEGGTVDSGSTLTVITQFITGGGGLNEI
RRIYQQGGQTIQNAAVNFPGDVDPYDSITEDFCVDIKRYFGDTNDFDAKG
GMSGMSNALKKGMVLVMSLWDDHYANMLWLDATYPVDSTEPGALRGPCST
DSGDPADVEANFPGSTVTFSNIKIGPIQSYD
Ligand information
Ligand IDSGC
InChIInChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKeyKGSURTOFVLAWDC-QZABAPFNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1S
ACDLabs 10.04OC1C(S)C(OC(O)C1O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)S)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S
FormulaC6 H12 O5 S
Name4-thio-beta-D-glucopyranose;
4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE;
4-thio-beta-D-glucose;
4-thio-D-glucose;
4-thio-glucose
ChEMBL
DrugBankDB03584
ZINC
PDB chain4ipm Chain B Residue 1 [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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PDB4ipm Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance.
Resolution1.14 Å
Binding residue
(original residue number in PDB)		R271 D279 Y406 R417
Binding residue
(residue number reindexed from 1)		R249 D257 Y384 R395
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E233 D235 E238 H249
Catalytic site (residue number reindexed from 1) E211 D213 E216 H227
Enzyme Commision number 3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016162 cellulose 1,4-beta-cellobiosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ipm, PDBe:4ipm, PDBj:4ipm
PDBsum4ipm
PubMed23733951
UniProtD4HRL0|GH7B_LIMQU Exoglucanase GH7B (Gene Name=GH7B)

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