Structure of PDB 4mol Chain D Binding Site BS02

Receptor Information
>4mol Chain D (length=573) Species: 230624 (Trametes ochracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKNTVE
YQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNPE
QDPLRNLSGQAVTRVVGGMSTAWTCATPRFDREQRPLLVKDDADADDAEW
DRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLAATR
RSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALNSEI
ESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNPANP
PELLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMTIRGTPGELTYSVTY
TPGASTNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPSHPW
HTQIHRDAFSYGAVQQSIDSRLIVDWRFFGRTEPKEENKLWFSDKITDAY
NMPQPTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFMEPGL
VLHLGGTHRMGFDEKEDNCCVNTDSRVFGFKNLFLGGCGNIPTAYGANPT
LTAMSLAIKSCEYIKQNFTPSPF
Ligand information
Ligand ID2FG
InChIInChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyZCXUVYAZINUVJD-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)O)F)O)O)O
CACTVS 3.352OC[C@H]1O[C@@H](O)[C@H](F)[C@@H](O)[C@H]1O
CACTVS 3.352OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O
ACDLabs 11.02FC1C(O)C(O)C(OC1O)CO
FormulaC6 H11 F O5
Name2-deoxy-2-fluoro-beta-D-galactopyranose;
2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE;
2-deoxy-2-fluoro-beta-D-galactose;
2-deoxy-2-fluoro-D-galactose;
2-deoxy-2-fluoro-galactose
ChEMBL
DrugBankDB02228
ZINCZINC000004329329
PDB chain4mol Chain D Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mol Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q448 D452 F454 Y456 R472 F474 L545 V546 H548 N593
Binding residue
(residue number reindexed from 1)		Q403 D407 F409 Y411 R427 F429 L500 V501 H503 N548
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:4mol, PDBe:4mol, PDBj:4mol
PDBsum4mol
PubMed24466218
UniProtQ7ZA32

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