Structure of PDB 2zaa Chain A Binding Site BS04

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 IDMAW
InChIInChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4-,6+/m0/s1
InChIKeyIAKKJSVSFCTLRY-NVFHJIOMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=C(OC(C(C1O)O)O)C(=O)O
OpenEye OEToolkits 2.0.7C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O
CACTVS 3.385O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01OC1C(O)C(O)C=C(O1)C(=O)O
CACTVS 3.385O[C@@H]1OC(=C[C@H](O)[C@@H]1O)C(O)=O
FormulaC6 H8 O6
Name4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid;
4-deoxy-alpha-L-erythro-hex-4-enuronic acid;
4-deoxy-L-erythro-hex-4-enuronic acid;
4-deoxy-erythro-hex-4-enuronic acid
ChEMBL
DrugBankDB02734
ZINC
PDB chain2zaa Chain B Residue 4 [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)		P202 K205 K218 F284
Binding residue
(residue number reindexed from 1)		P122 K125 K138 F204
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.2.3: mannuronate-specific alginate lyase.
External links