Structure of PDB 1hm2 Chain A Binding Site BS06

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1hm2 Chain A Residue 1801 [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)		E405 D407 D416 Y417
Binding residue
(residue number reindexed from 1)		E380 D382 D391 Y392
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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