Structure of PDB 2ya0 Chain A Binding Site BS01

Receptor Information
>2ya0 Chain A (length=714) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SWRLKDETYSYDGKLGADLKEEGKQVDLTLWSPSADKVSVVVYDKNDPDK
VVGTVALEKGERGTWKQTLDSTNKLGITDFTGYYYQYQIERQGKTVLALD
PYAKSLAAWNSDDSKIDDAHKVAKAAFVDPAKLGPQDLTYGKIHNFKTRE
DAVIYEAHVRDFTSDPAIAKDLTKPFGTFEAFIEKLDYLKDLGVTHIQLL
PVLSYYFVNELKNHERLSDYASSNSNYNWGYDPQNYFSLTGMYSSDPKNP
EKRIAEFKNLINEIHKRGMGAILDVVYNHTAKVDLFEDLEPNYYHFMDAD
GTPRTSFGGGRLGTTHHMTKRLLIDSIKYLVDTYKVDGFRFDMMGDHDAA
SIEEAYKAARALNPNLIMLGEGWRTYAGDENMPTKAADQDWMKHTDTVAV
FSDDIRNNLKSGYPNEGQPAFITGGKRDVNTIFKNLIAQPTNFEADSPGD
VIQYIAAHDNLTLFDIIAQSIKKDPSKAENYAEIHRRLRLGNLMVLTAQG
TPFIHSGQEYGRTKQFRNPAYRTPVAEDKVPNKSHLLRDKDGNPFDYPYF
IHDSYDSSDAVNKFDWTKATDGKAYPENVKSRDYMKGLIALRQSTDAFRL
KSLQDIKDRVHLITVPGQNGVEKEDVVIGYQITAPNGDIYAVFVNADEKA
REFNLGTAFAHLRNAEVLADENQAGPVGIANPKGLEWTEKGLKLNALTAT
VLRVSQNGTSHEST
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 chain2ya0 Chain A Residue 1696 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ya0 The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		S206 Y208 D537
Binding residue
(residue number reindexed from 1)		S225 Y227 D556
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) W109 S204 Y205 T240 D342 E371 D459
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:2ya0, PDBe:2ya0, PDBj:2ya0
PDBsum2ya0
PubMed21565699
UniProtA0A0H2UNG0|PULA_STRPN Pullulanase A (Gene Name=spuA)

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