Structure of PDB 2zac Chain A Binding Site BS02

Receptor Information
>2zac Chain A (length=227) Species: 90322 (Sphingomonas sp. A1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAAAPGKNFDLSHWKLQLPDANTTEISSANLGLGYTSQYFYTDTDGAMTF
WAPTTGGTTANSSYPRSELREMLDPSNSKVNWGWQGTHTMKLSGKTVQLP
SSGKIIVAQIHGIMDDGTNAPPLVKAVFQDGQLDMQVKQNSDGTGSDVHN
YFTGIKLGDLYNMEIRVTDGVAYVTMNGDTRSVDFVGKDAGWKNLKYYFK
AGNFVQDNTSTGGSAIAKLYSLSVSHS
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 chain2zac 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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PDB2zac Substrate Recognition in Tunnel of Family 7 Alginate Lyase from Sphingomonas sp. A1
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Q97 T139 N141 R146 H191 Y278 K280
Binding residue
(residue number reindexed from 1)		Q17 T59 N61 R66 H111 Y198 K200
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.3: mannuronate-specific alginate lyase.
External links