Structure of PDB 2ya2 Chain A Binding Site BS03

Receptor Information
>2ya2 Chain A (length=708) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSWRLKDETYSYDGKLGADLKEEGKQVDLTLWSPSADKVSVVVYDKNDPD
KVVGTVALEKGERGTWKQTLDSTNKLGITDFTGYYYQYQIERQGKTVLAL
DPYAKSLAAWNSDDSKIDDAHKVAKAAFVDPAKLGPQDLTYGKIHNFKTR
EDAVIYEAHVRDFTSDPAIAKDLTKPFGTFEAFIEKLDYLKDLGVTHIQL
LPVLSYYFVNELKNHERLSDYASSNSNYNWGYDPQNYFSLTGMYSSDPKN
PEKRIAEFKNLINEIHKRGMGAILDVVYNHTAKVDLFEDLEPNYYHFMDA
DGTPRTSFGGGRLGTTHHMTKRLLIDSIKYLVDTYKVDGFRFDMMGDHDA
ASIEEAYKAARALNPNLIMLGEGWRTYAGDENMPTKAADQDWMKHTDTVA
VFSDDIRNNLKSGYPNEGQPAFITGGKRDVNTIFKNLIAQPTNFEADSPG
DVIQYIAAHDDLTLFDIIAQSIKKDPSKAENYAEIHRRLRLGNLMVLTAQ
GTPFIHSGQEYGRTKQFRNPAYRTPVAEDKVPNKSHLLRDKDGNPFDYPY
FIHDSYDSSDAVNKFDWTKATDGKAYPENVKSRDYMKGLIALRQSTDAFR
LKSLQDIKDRVHLITVPGQNGVEKEDVVIGYQITAPNGDIYAVFVNADEK
AREFNLGTAFAHLRNAEVLADENQAGPVGIANPKGLEWTEKGLKLNALTA
TVLRVSQN
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 chain2ya2 Chain A Residue 1691 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ya2 The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Resolution2.37 Å
Binding residue
(original residue number in PDB)		M373 T376 D377 D427 D431
Binding residue
(residue number reindexed from 1)		M393 T396 D397 D447 D451
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) W90 S185 Y186 T221 D323 E352 D440
Catalytic site (residue number reindexed from 1) W110 S205 Y206 T241 D343 E372 D460
Enzyme Commision number 3.2.1.41: pullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2ya2, PDBe:2ya2, PDBj:2ya2
PDBsum2ya2
PubMed21565699
UniProtA0A0H2UNG0|PULA_STRPN Pullulanase A (Gene Name=spuA)

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