Structure of PDB 4hmz Chain A Binding Site BS02

Receptor Information
>4hmz Chain A (length=198) Species: 1896 (Streptomyces bikiniensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHPLSIEGAWSQEPVIHSDHRGRSHEWFRGESFRQAFGHDFPVAQVNVAV
SHRGALRGIHYTEIPPGQAKYSVCVRGAGLDVVVDVRIGSPTFGRWEIVP
MDAERNTAVYLTAGLGRAFLSLTDDATLVYLCSSGYAPAREHSVNPLDPD
LGIAWPDDIEPLLSDRDENAPTLATAERLGLLPTYQAWQEQQQAQRLE
Ligand information
Ligand ID18T
InChIInChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1
InChIKeyZOSQFDVXNQFKBY-LPGAPTBISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)O
OpenEye OEToolkits 1.7.6C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O
CACTVS 3.370C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)C
CACTVS 3.370C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1O
FormulaC16 H26 N2 O15 P2
Name[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate;
dTDP-6-deoxy-d-allose
ChEMBL
DrugBank
ZINCZINC000085564593
PDB chain4hmz Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hmz Structural and Functional Studies on a 3'-Epimerase Involved in the Biosynthesis of dTDP-6-deoxy-d-allose.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H17 R21 E26
Binding residue
(residue number reindexed from 1)		H17 R21 E26
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H60 K70 Y130 D167
Catalytic site (residue number reindexed from 1) H60 K70 Y130 D167
Enzyme Commision number 5.1.3.27: dTDP-4-dehydro-6-deoxy-D-glucose 3-epimerase.
Gene Ontology
Molecular Function
GO:0008830 dTDP-4-dehydrorhamnose 3,5-epimerase activity
GO:0016853 isomerase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0019305 dTDP-rhamnose biosynthetic process
GO:0045226 extracellular polysaccharide biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4hmz, PDBe:4hmz, PDBj:4hmz
PDBsum4hmz
PubMed23116432
UniProtQ5SFD1|CHMJ_STRBI dTDP-4-dehydro-6-deoxyglucose 3-epimerase (Gene Name=chmJ)

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