Structure of PDB 1ofl Chain A Binding Site BS04

Receptor Information
>1ofl Chain A (length=481) Species: 984 (Pedobacter heparinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVVASNETLYQVVKEVKPGGLVQIADGTYKDVQLIVSNSGKSGLPITIKA
LNPGKVFFTGDAKVELRGEHLILEGIWFKDGNRAIQAWKSHGPGLVAIYG
SYNRITACVFDCFDEANSAYITTSLTEDGKVPQHCRIDHCSFTDKITFDQ
VINLNNTARAIKDGSVGGPAMYHRVDHCFFSNPQKPGNAGGGIRIGYYRN
DIGRCLVDSNLFMRQDSEAEIITSKSQENVYYGNTYLNCQGTMNFRHGDH
QVAINNFYIGNDQRFGYGGMFVWGSRHVIACNYFELSETIKSRGNAALYL
NPGAMASEHALAFDMLIANNAFINVNGYAIHFNPLDERRKEYCAANRLKF
ETPHQLMLKGNLFFKDKPYVYPFFKDDYFIAGKNSWTGNVALGVEKGIPV
NISANRSAYKPVKIKDIQPIEGIALDLNALISKGITGKPLSWDEVRPYWL
KEMPGTYALTARLSADRAAKFKAVIKRNKEH
Ligand information
Ligand IDGCD
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-YKKSOZKNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C(OC(C(C1O)O)O)C(=O)O
CACTVS 3.370O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O
CACTVS 3.370O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.7.6C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O
ACDLabs 12.01O=C(O)C=1OC(O)C(O)C(O)C=1
FormulaC6 H8 O6
Name4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid;
4,5-DEHYDRO-D-GLUCURONIC ACID;
4-deoxy-alpha-L-threo-hex-4-enuronic acid;
4-deoxy-L-threo-hex-4-enuronic acid;
4-deoxy-threo-hex-4-enuronic acid
ChEMBL
DrugBankDB02305
ZINC
PDB chain1ofl Chain C 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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PDB1ofl The Structure of Chondroitin B Lyase Complexed with Glycosaminoglycan Oligosaccharides Unravels a Calcium-Dependent Catalytic Machinery
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R318 R363
Binding residue
(residue number reindexed from 1)		R293 R338
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.19: chondroitin B lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0033999 chondroitin B lyase activity

View graph for
Molecular Function
External links
PDB RCSB:1ofl, PDBe:1ofl, PDBj:1ofl
PDBsum1ofl
PubMed15155751
UniProtQ46079|CSLB_PEDHD Chondroitinase-B (Gene Name=cslB)

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