Structure of PDB 1z45 Chain A Binding Site BS02

Receptor Information
>1z45 Chain A (length=674) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKIVLVTGGAGYIGSHTVVELIENGYDCVVADNLSNSTYDSVARLEVLTK
HHIPFYEVDLCDRKGLEKVFKEYKIDSVIHFAGLKAVGESTQIPLRYYHN
NILGTVVLLELMQQYNVSKFVFSSSATVYGDATRFPNMIPIPEECPLGPT
NPYGHTKYAIENILNDLYNSDKKSWKFAILRYFNPIGAHPSGLIGEDPLG
IPNNLLPYMAQVAVGRREKLYIFRDGTPIRDYIHVVDLAKGHIAALQYLE
AYNENEGLCREWNLGSGKGSTVFEVYHAFCKASGIDLPYVLNLTAKPDRA
KRELKWQTELQVEDSCKDLWKWTTENPFGYQLRGVEARFSAEDMRYDARF
VTIGAGTRFQATFANLGASIVDLKVNGQSVVLGYENEEGYLNPDSAYIGA
TIGRYANRISKGKFSLCNKDYQLTVNNGVNANHSSIGSFHRKRFLGPIIQ
NPSKDVFTAEYMLIDNEKDTEFPGDLLVTIQYTVNVAQKSLEIVYKGKLT
AGEATPINLTNHSYFNLNKPYGDTIEGTEIMVRSKKSVDVDKNMIPTGNI
VDREIATFNSTKPTVLGPKNPQFDCCFVVDENAKPSQINTLNNELTLIVK
AFHPDSNITLEVLSTEPTYQFYTGDFLSAGYEARQGFAIEPGRYIDAINQ
ENWKDCVTLKNGETYGSKIVYRFS
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain1z45 Chain A Residue 703 [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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PDB1z45 The molecular architecture of galactose mutarotase/UDP-galactose 4-epimerase from Saccharomyces cerevisiae.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		G18 G21 Y22 I23 D42 N43 L44 S45 N46 S47 D69 L70 F91 A92 G93 K95 N110 S133 S134 S135 Y163 K167 Y192 P195
Binding residue
(residue number reindexed from 1)		G8 G11 Y12 I13 D32 N33 L34 S35 N36 S37 D59 L60 F81 A82 G83 K85 N100 S123 S124 S125 Y153 K157 Y182 P185
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S135 A136 T137 Y163 K167 H458 H537 E665
Catalytic site (residue number reindexed from 1) S125 A126 T127 Y153 K157 H433 H512 E640
Enzyme Commision number 5.1.3.2: UDP-glucose 4-epimerase.
5.1.3.3: aldose 1-epimerase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003978 UDP-glucose 4-epimerase activity
GO:0004034 aldose 1-epimerase activity
GO:0016853 isomerase activity
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006012 galactose metabolic process
GO:0019318 hexose metabolic process
GO:0033499 galactose catabolic process via UDP-galactose
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1z45, PDBe:1z45, PDBj:1z45
PDBsum1z45
PubMed15795221
UniProtP04397|GAL10_YEAST Bifunctional protein GAL10 (Gene Name=GAL10)

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