Structure of PDB 1ofm Chain A Binding Site BS01

Receptor Information
>1ofm 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 IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain1ofm Chain B Residue 1 [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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PDB1ofm The Structure of Chondroitin B Lyase Complexed with Glycosaminoglycan Oligosaccharides Unravels a Calcium-Dependent Catalytic Machinery
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H202 D233 S234
Binding residue
(residue number reindexed from 1)		H177 D208 S209
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:1ofm, PDBe:1ofm, PDBj:1ofm
PDBsum1ofm
PubMed15155751
UniProtQ46079|CSLB_PEDHD Chondroitinase-B (Gene Name=cslB)

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