Structure of PDB 1ngs Chain A Binding Site BS04

Receptor Information
>1ngs Chain A (length=678) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFTDIDKLAVSTIRILAVDTVSKANSGHPGAPLGMAPAAHVLWSQMRMNP
TNPDWINRDRFVLSNGHAVALLYSMLHLTGYDLSIEDLKQFRQLGSRTPG
HPEFELPGVEVTTGPLGQGISNAVGMAMAQANLAATYNKPGFTLSDNYTY
VFLGDGCLQEGISSEASSLAGHLKLGNLIAIYDDNKITIDGATSISFDED
VAKRYEAYGWEVLYVENGNEDLAGIAKAIAQAKLSKDKPTLIKMTTTIGY
GSLHAGSHSVHGAPLKADDVKQLKSKFGFNPDKSFVVPQEVYDHYQKTIL
KPGVEANNKWNKLFSEYQKKFPELGAELARRLSGQLPANWESKLPTYTAK
DSAVATRKLSETVLEDVYNQLPELIGGSADLTPSNLTRWKEALDFQPPSS
GSGNYSGRYIRYGIREHAMGAIMNGISAFGANYKPYGGTFLNFVSYAAGA
VRLSALSGHPVIWVATHDSIGVGEDGPTHQPIETLAHFRSLPNIQVWRPA
DGNEVSAAYKNSLESKHTPSIIALSRQNLPQLEGSSIESASKGGYVLQDV
ANPDIILVATGSEVSLSVEAAKTLAAKNIKARVVSLPDFFTFDKQPLEYR
LSVLPDNVPIMSVEVLATTCWGKYAHQSFGIDRFGASGKAPEVFKFFGFT
PEGVAERAQKTIAFYKGDKLISPLKKAF
Ligand information
Ligand IDE4P
InChIInChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1
InChIKeyNGHMDNPXVRFFGS-IUYQGCFVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C=O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C=O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C=O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)C=O
FormulaC4 H9 O7 P
NameERYTHOSE-4-PHOSPHATE
ChEMBLCHEMBL1232448
DrugBankDB03937
ZINCZINC000032786787
PDB chain1ngs Chain B Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ngs Examination of substrate binding in thiamin diphosphate-dependent transketolase by protein crystallography and site-directed mutagenesis.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S386 H469 R528
Binding residue
(residue number reindexed from 1)		S384 H467 R526
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H30 I250 H263 E418 H481
Catalytic site (residue number reindexed from 1) H28 I248 H261 E416 H479
Enzyme Commision number 2.2.1.1: transketolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004802 transketolase activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006098 pentose-phosphate shunt
Cellular Component
GO:0005737 cytoplasm
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:1ngs, PDBe:1ngs, PDBj:1ngs
PDBsum1ngs
PubMed8999873
UniProtP23254|TKT1_YEAST Transketolase 1 (Gene Name=TKL1)

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