Structure of PDB 4ozv Chain A Binding Site BS01

Receptor Information
>4ozv Chain A (length=333) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADLVPPPGYYAAVGERKAGSCPAVPPPYTGSLVFTSKYEGSDSARATLNV
KAEKTFRSQIKDITDMERGATKLVTQYMRSGRDGDLACALNWMSAWARAG
ALQSDDFNHTGKSMRKWALGSLSGAYMRLKFSSSRPLAAHAEQSREIEDW
FARLGTQVVRDWSGLPLKKINNHSYWAAWSVMSTAVVTNRRDLFDWAVSE
FKVAANQVDEQGFLPNELKRRQRALAYHNYALPPLAMIAAFAQVNGVDLR
QENHGALQRLAERVMKGVDDEETFEEKTGEDQDMTDLKVDNKYAWLEPYC
ALYRCEPKMLEAKKDREPFNSFRLGGEVTRVFS
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 chain4ozv Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ozv The Pseudomonas aeruginosa homeostasis enzyme AlgL clears the periplasmic space of accumulated alginate during polymer biosynthesis.
Resolution1.642 Å
Binding residue
(original residue number in PDB)		K66 Y67 R74 H202 Y256
Binding residue
(residue number reindexed from 1)		K37 Y38 R45 H173 Y227
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y67 N201 H202 R249 Y256
Catalytic site (residue number reindexed from 1) Y38 N172 H173 R220 Y227
Enzyme Commision number 4.2.2.3: mannuronate-specific alginate lyase.
Gene Ontology
Molecular Function
GO:0004794 threonine deaminase activity
GO:0016829 lyase activity
GO:0045135 poly(beta-D-mannuronate) lyase activity
Biological Process
GO:0042121 alginic acid biosynthetic process
GO:0042122 alginic acid catabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ozv, PDBe:4ozv, PDBj:4ozv
PDBsum4ozv
PubMed34990713
UniProtQ06749|ALGL_PSEAE Alginate lyase (Gene Name=algL)

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