Structure of PDB 2ya1 Chain A Binding Site BS01

Receptor Information
>2ya1 Chain A (length=981) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHMASDNYFRIHVKKLPEENKDAQGLWTWDDVEKPSENWPNGALSFKDAK
KDDYGYYLDVKLKEQAKKISFLINNTAGKNLTGDKSVEKLVPKMNEAWLD
QDYKVFSYEPQPAGTVRVNYYRTDGNYDKKSLWYWGDVKNPSSAQWPDGT
DFTATGKYGRYIDIPLNEAAREFGFLLLDESKQGDDVKIRKENYKFTDLK
NHSQIFLKDDDESIYTNPYYVHDIRMTGAQHESSFSTLILKHSNITNIDE
AGKKVTTKHPYTVSYNSDQFTTKTSWRLKDETYSYDGKLGADLKEEGKQV
DLTLWSPSADKVSVVVYDKNDPDKVVGTVALEKGERGTWKQTLDSTNKLG
ITDFTGYYYQYQIERQGKTVLALDPYAKSLAAWNSDDSKIDDAHKVAKAA
FVDPAKLGPQDLTYGKIHNFKTREDAVIYEAHVRDFTSDPAIAKDLTKPF
GTFEAFIEKLDYLKDLGVTHIQLLPVLSYYFVNELKNHERLSDYASSNSN
YNWGYDPQNYFSLTGMYSSDPKNPEKRIAEFKNLINEIHKRGMGAILDVV
YNHTAKVDLFEDLEPNYYHFMDADGTPRTSFGGGRLGTTHHMTKRLLIDS
IKYLVDTYKVDGFRFDMMGDHDAASIEEAYKAARALNPNLIMLGEGWRTY
AGDENMPTKAADQDWMKHTDTVAVFSDDIRNNLKSGYPNEGQPAFITGGK
RDVNTIFKNLIAQPTNFEADSPGDVIQYIAAHDNLTLFDIIAQSIKKDPS
KAENYAEIHRRLRLGNLMVLTAQGTPFIHSGQEYGRTKQFRNPAYRTPVA
EDKVPNKSHLLRDKDGNPFDYPYFIHDSYDSSDAVNKFDWTKATDGKAYP
ENVKSRDYMKGLIALRQSTDAFRLKSLQDIKDRVHLITVPGQNGVEKEDV
VIGYQITAPNGDIYAVFVNADEKAREFNLGTAFAHLRNAEVLADENQAGP
VGIANPKGLEWTEKGLKLNALTATVLRVSQN
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain2ya1 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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PDB2ya1 The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y667 H715 F743 D778
Binding residue
(residue number reindexed from 1)		Y505 H553 F581 D616
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) W545 S640 Y641 T676 D778 E807 D895
Catalytic site (residue number reindexed from 1) W383 S478 Y479 T514 D616 E645 D733
Enzyme Commision number 3.2.1.41: pullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2ya1, PDBe:2ya1, PDBj:2ya1
PDBsum2ya1
PubMed21565699
UniProtA0A0H2UNG0|PULA_STRPN Pullulanase A (Gene Name=spuA)

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