Structure of PDB 4mom Chain A Binding Site BS02

Receptor Information
>4mom Chain A (length=576) Species: 230624 (Trametes ochracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIKYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKN
TVEYQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGS
NPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDADADD
AEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLA
ATRRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALN
SEIESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNP
ANPPELLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMTIRGTPGELTYS
VTYTPGASTNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPS
HPWHTQIGRDAFSYGAVQQSIDSRLIVDWRFFGRTEPKEENKLWFSDKIT
DAYNMPQPTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFME
PGLVLHLGGTHRMGFDEKEDNCCVNTDSRVFGFKNLFLGGCGNIPTAYGA
NPTLTAMSLAIKSCEYIKQNFTPSPF
Ligand information
Ligand ID2H5
InChIInChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyBUMRBAMACDBPKO-FPRJBGLDSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01FC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.6C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O
CACTVS 3.385OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O
CACTVS 3.385OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](F)[C@H]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)F)O)O
FormulaC6 H11 F O5
Name3-deoxy-3-fluoro-beta-D-galactopyranose;
3-deoxy-3-fluoro-beta-D-galactose;
3-deoxy-3-fluoro-D-galactose;
3-deoxy-3-fluoro-galactose
ChEMBL
DrugBank
ZINCZINC000004329331
PDB chain4mom Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mom Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T169 Q448 D452 Y456 F474 V546 H548 N593
Binding residue
(residue number reindexed from 1)		T127 Q406 D410 Y414 F432 V504 H506 N551
Annotation score3
Enzymatic activity
Enzyme Commision number 1.1.3.10: pyranose oxidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
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:4mom, PDBe:4mom, PDBj:4mom
PDBsum4mom
PubMed24466218
UniProtQ7ZA32

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