Structure of PDB 7wrt Chain D Binding Site BS02

Receptor Information
>7wrt Chain D (length=650) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KETRDLETLSVNAIRFLAIDAVEKARSGHPGMPMGMAPLAYLLFREVMRH
NPLDPDWPDRDRFVLSAGHGSMLLYAVLHLTGYDLPLEELKSFRQWGSKT
PGHPERGHTPGVEVTTGPLGQGISTAVGLALAERKLAAEFNRPGHVVVDH
YTYVLASDGDLMEGVSGEAASLAGHWGLSKLIVFWDDNRISIDGPTDLAF
TEDVLARYRAYGWQTLRVEDVNDLEALRKAIKLAKLDERPTLIAVRSHIG
FGSPKQDSAKAHGEPLGPEAVEATRRNLGWPYPPFVVPEEVYRHMDMREK
GRAWQEAWEKALEAYARAYPDLHQELMRRLRGELPPLPEEPPSFDKPIAT
RAASGRALNLLAPRLPELLGGSADLTPSNNTKAEGMEDFSRANPLGRYLH
FGVREHAMGAILNGLNLHGGYRAYGGTFLVFSDYMRPAIRLAALMGVPTV
FVFTHDSIALGEDGPTHQPVEHLMSLRAMPNLFVIRPADAYETFYAWLVA
LRRKEGPTALVLTRQAVPLLSPEKARGLLRGGYVLEDVEEPQGVLVATGS
EVHLALRAQALLREKGVRVRVVSLPSFELFAAQPEAYRKEVLPPGLPVVA
VEAGASLGWERYAHKVVALDRFGASAPYPEVYERLGFTPERVAEAFLSLV
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 chain7wrt Chain D Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wrt Structural and biochemical characterizations of Thermus thermophilus HB8 transketolase producing a heptulose.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		S379 H456 D464 R515
Binding residue
(residue number reindexed from 1)		S378 H455 D463 R514
Annotation score5
Enzymatic activity
Enzyme Commision number 2.2.1.1: transketolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004802 transketolase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006098 pentose-phosphate shunt
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:7wrt, PDBe:7wrt, PDBj:7wrt
PDBsum7wrt
PubMed36441206
UniProtQ5SM35

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