Structure of PDB 1hm2 Chain A Binding Site BS04

Receptor Information
>1hm2 Chain A (length=674) Species: 984 (Pedobacter heparinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTAELIMKRVMLDLKKPLRNMDKVAEKNLNTLQPDGSWKDVPYKDDAMTN
WLPNNHLLQLETIIQAYIEKDSHYYGDDKVFDQISKAFKYWYDSDPKSRN
WWHNEIATPQALGEMLILMRYGKKPLDEALVHKLTERMKRGEPEKKTGAN
KTDIALHYFYRALLTSDEALLSFAVKELFYPVQFVHYEEGLQYDYSYLQH
GPQLQISSYGAVFITGVLKLANYVRDTPYALSTEKLAIFSKYYRDSYLKA
IRGSYMDFNVEGRGVSRPDILNKKAEKKRLLVAKMIDLKHTEEWADAIAR
TDSTVAAGYKIEPYHHQFWNGDYVQHLRPAYSFNVRMVSKRTRRSESGNK
ENLLGRYLSDGATNIQLRGPEYYNIMPVWEWDKIPGITSRDYLTDRPLTK
LWGEQGSNDFAGGVSDGVYGASAYALDYDSLQAKKAWFFFDKEIVCLGAG
INSNAPENITTTLNQSWLNGPVISTAGKTGRGKITTFKAQGQFWLLHDAI
GYYFPEGANLSLSTQSQKGNWFHINNSHSKDEVSGDVFKLWINHGARPEN
AQYAYIVLPGINKPEEIKKYNGTAPKVLANTNQLQAVYHQQLDMVQAIFY
TAGKLSVAGIEIETDKPCAVLIKHINGKQVIWAADPLQKEKTAVLSIRDL
KTGKTNRVKIDFPQQEFAGATVEL
Ligand information
Ligand IDIDR
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-VCSGLWQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
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
FormulaC6 H10 O7
Namealpha-L-idopyranuronic acid;
alpha-L-iduronic acid;
L-iduronic acid;
iduronic acid
ChEMBL
DrugBankDB02945
ZINCZINC000004097162
PDB chain1hm2 Chain D Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hm2 Active site of chondroitin AC lyase revealed by the structure of enzyme-oligosaccharide complexes and mutagenesis.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N125 W127 N175 H225 Y234 R288 N374 W427
Binding residue
(residue number reindexed from 1)		N100 W102 N150 H200 Y209 R263 N349 W402
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N175 H225 Y234 R288 E371
Catalytic site (residue number reindexed from 1) N150 H200 Y209 R263 E346
Enzyme Commision number 4.2.2.5: chondroitin AC lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hm2, PDBe:1hm2, PDBj:1hm2
PDBsum1hm2
PubMed11327856
UniProtQ59288|CSLA_PEDHD Chondroitinase-AC (Gene Name=cslA)

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