Structure of PDB 3rrx Chain A Binding Site BS01

Receptor Information
>3rrx Chain A (length=621) Species: 368972 (Pseudoalteromonas sp. BB1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNWPYVNTKLKRDPAVEAQIEKLLAKMTIEQKVAQMIQPEIGYLTVEQMR
KYGFGSYLNGGNTAPYGNKRADQATWLKYADEMYLAAMDSTLDGIAIPTV
WGTDAMHGHSNVYGATLFPHNIGLGAARDTDLIKRIGQATAKEVAATGIE
WSFAPTVAVVRDDRWGRTYESYSEDPDLVKRYAGEMVTGIQGDVGADFLK
GSNRIATAKHFVGDGGTERGVDRGNTLIDEKGLRDIHSAGYFSAINQGVQ
SVMASFNSWNGKRVHGDKHLLTDVLKNQLGFDGFVVSDWNAHKFVEGCDL
EQCAQAINAGVDVIMVPEHFEAFYHNTVKQVKAGVIAESRINDAVRRFLR
AKIRWGVFTKSKPSARPESQHPQWLGAAEHRTLAREAVRKSLVLLKNNES
ILPIKASSRILVAGKGANAINMQAGGWSVSWQGTDNTNSDFPNATSIFSG
LQSQVTKAGGKITLSESGEYTSKPDVAIVVIGEEPYAEWFGDIELLEFQH
ETKHALALLKQLKADNIPVVTVFLSGRPLWVNKELNASDAFVAAWLPGSE
GEGVADVLLTNKQGKTQFDFTGKLSFSWPKYDDQFTLNLNDADYDPLFAY
GYGLTYQDNINVPVLSEKTSP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3rrx Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rrx Structure and activity of exo-1,3/1,4-beta-glucanase from marine bacterium Pseudoalteromonas sp. BB1 showing a novel C-terminal domain
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E179 L592 N593
Binding residue
(residue number reindexed from 1)		E174 L587 N588
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D293 E493
Catalytic site (residue number reindexed from 1) D288 E488
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3rrx, PDBe:3rrx, PDBj:3rrx
PDBsum3rrx
PubMed22129429
UniProtQ0QJA3

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