Structure of PDB 2zaa Chain A Binding Site BS02

Receptor Information
>2zaa Chain A (length=232) Species: 90322 (Sphingomonas sp. A1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAAAPGKNFDLSHWKLQLPDANTTEISSANLGLGYTSQYFYTDTDGAMTF
WAPTTGGTTANSSYPRSELREMLDPSNSKVNWGWQGTHTMKLSGKTVQLP
SSGKIIVAQINGIMDDGTNAPPLVKAVFQDGQLDMQVKQNSDGTGSDVHN
YFTGIKLGDLYNMEIRVTDGVAYVTMNGDTRSVDFVGKDAGWKNLKYYFK
AGNFVQDNTSTGGSAIAKLYSLSVSHSNLEHH
Ligand information
Ligand IDBEM
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-SYJWYVCOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.341O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-mannopyranuronic acid;
beta-D-mannuronic acid;
D-mannuronic acid;
mannuronic acid;
(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000004095780
PDB chain2zaa Chain B Residue 2 [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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PDB2zaa Substrate Recognition in Tunnel of Family 7 Alginate Lyase from Sphingomonas sp. A1
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Q97 T139 N141 N191 N199 Y278 K280
Binding residue
(residue number reindexed from 1)		Q17 T59 N61 N111 N119 Y198 K200
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.3: mannuronate-specific alginate lyase.
External links