Structure of PDB 7c8i Chain E Binding Site BS01

Receptor Information
>7c8i Chain E (length=809) Species: 216816 (Bifidobacterium longum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSPVIGTPWKKLNAPVSEEALEGVDKYWRVANYLSIGQIYLRSNPLMKEP
FTREDVKHRLVGHWGTTPGLNFLIGHINRFIADHGQNTVIIMGPGHGGPA
GTSQSYLDGTYTETFPKITKDEAGLQKFFRQFSYPGGIPSHFAPETPGSI
HEGGELGYALSHAYGAIMDNPSLFVPAIVGDGEAETGPLATGWQSNKLVN
PRTDGIVLPILHLNGYKIANPTILSRISDEELHEFFHGMGYEPYEFVAGF
DDEDHMSIHRRFAELWETIWDEICDIKATAQTDNVHRPFYPMLIFRTPKG
WTCPKYIDGKKTEGSWRSHQVPLASARDTEAHFEVLKNWLESYKPEELFD
ANGAVKDDVLAFMPKGELRIGANPNANGGVIRNDLKLPNLEDYEVKEVAE
YGHGWGQLEATRTLGAYTRDIIKNNPRDFRIFGPDETASNRLQASYEVTN
KQWDAGYISDEVDEHMHVSGQVVEQLSEHQMEGFLEAYLLTGRHGIWSSY
ESFVHVIDSMLNQHAKWLEATVREIPWRKPIASMNLLVSSHVWRQDHNGF
SHQDPGVTSVLLNKCFHNDHVIGIYFATDANMLLAIAEKCYKSTNKINAI
IAGKQPAATWLTLDEARAELEKGAAAWDWASTAKNNDEAEVVLAAAGDVP
TQEIMAASDKLKELGVKFKVVNVADLLSLQSAKENDEALTDEEFADIFTA
DKPVLFAYHSYAHDVRGLIYDRPNHDNFNVHGYEEEGSTTTPYDMVRVNR
IDRYELTAEALRMIDADKYADKIDELEKFRDEAFQFAVDNGYDHPDYTDW
VYSGVNTDK
Ligand information
Ligand IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain7c8i Chain E Residue 901 [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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PDB7c8i Ambient temperature structure of phosphoketolase from Bifidobacterium longum determined by serial femtosecond X-ray crystallography.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S440 R442 Y501 H548 N549 K605
Binding residue
(residue number reindexed from 1)		S439 R441 Y500 H547 N548 K604
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.2.22: fructose-6-phosphate phosphoketolase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
GO:0047905 fructose-6-phosphate phosphoketolase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7c8i, PDBe:7c8i, PDBj:7c8i
PDBsum7c8i
PubMed36974963
UniProtQ6R2Q7

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