Structure of PDB 2f5v Chain A Binding Site BS01

Receptor Information
>2f5v Chain A (length=577) Species: 204723 (Peniophora sp. SG) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIKYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKN
TVEYQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGS
NPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDADADD
AEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLAEEYKGQRDFQQIPLA
ATRRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALN
SEIESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNP
TNPPELLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMTIRGTPGELTYS
VTYTPGASTNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPS
HPWHTQIHRDAFSYGAVQQSIDSRLIVDWRFFGRTEPKEENKLWFSDKIT
DAYNMPQPTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFME
PGLVLHLGGTHRMGFDEKEDNCCVNTDSRVFGFKNLFLGGCGNIPTAYGA
NPTLTAMSLAIKSCEYIKQNFTPSPFT
Ligand information
Ligand IDKBG
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2/t2-,3-,4+,6-/m1/s1
InChIKeyFYWIDDXZIOQEQU-KAQMDTKVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@@H](O)C(=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(=O)C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)C(=O)[CH](O)[CH]1O
ACDLabs 10.04O=C1C(O)OC(CO)C(O)C1O
FormulaC6 H10 O6
Namebeta-D-arabino-hexopyranos-2-ulose;
2-KETO-BETA-D-GLUCOSE;
beta-D-arabino-hexos-2-ulose;
D-arabino-hexos-2-ulose;
arabino-hexos-2-ulose
ChEMBL
DrugBank
ZINC
PDB chain2f5v Chain A Residue 1628 [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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PDB2f5v Reaction Geometry and Thermostable Variant of Pyranose 2-Oxidase from the White-Rot Fungus Peniophora sp.
Resolution1.41 Å
Binding residue
(original residue number in PDB)
T169 Q448 D452 R472 F474 V546 H548 N593
Binding residue
(residue number reindexed from 1)
T127 Q406 D410 R430 F432 V504 H506 N551
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.3.10: pyranose oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0050233 pyranose oxidase activity
GO:0050660 flavin adenine dinucleotide binding
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function

View graph for
Cellular Component
External links
PDB RCSB:2f5v, PDBe:2f5v, PDBj:2f5v
PDBsum2f5v
PubMed16716069
UniProtQ8J136|P2OX_PENSG Pyranose 2-oxidase (Gene Name=p2ox)

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