Structure of PDB 1i7q Chain A Binding Site BS02

Receptor Information
>1i7q Chain A (length=517) Species: 615 (Serratia marcescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKPQLTLLKVQASYRGDPTTLFHQLCGARPATLLLESAEINDKQNLQSLL
VIDSALRITALGHTVSVQALTANGPALLPLLDEALPPEVRNQARPNGREL
TFPAIDAVQDEDARLRSLSVFDALRTILTLVDSPADEREAVMLGGLFAYD
LVAGFENLPALRQDQRCPDFCFYLAETLLVLDHQRGSARLQASVFSEQAS
EAQRLQHRLEQLQAELQQPPQPIPHQKLENMQLSCNQSDEEYGAVVSELQ
EAIRQGEIFQVVPSRRFSLPCPAPLGPYQTLKDNNPSPYMFFMQDDDFTL
FGASPESALKYDAGNRQIEIYPIAGTRPRGRRADGSLDLDLDSRIELEMR
TDHKELAEHLMLVDLARNDLARICQAGSRYVADLTKVDRYSFVMHLVSRV
VGTLRADLDVLHAYQACMNMGTLSGAPKVRAMQLIAALRSTRRGSYGGRV
GYFTAVRNLDTCIVIRSAYVEDGHRTVQAGAGVVQDSIPEREADETRNKA
RAVLRAIATAHHAKEVF
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain1i7q Chain A Residue 1601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1i7q The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y449 I468 R469 A482 G483 K502
Binding residue
(residue number reindexed from 1)		Y446 I465 R466 A479 G480 K499
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Q263 E309 A327 E361 H398 T425 Y449 R469 G485 E498 K502
Catalytic site (residue number reindexed from 1) Q260 E306 A324 E358 H395 T422 Y446 R466 G482 E495 K499
Enzyme Commision number 4.1.3.27: anthranilate synthase.
Gene Ontology
Molecular Function
GO:0004049 anthranilate synthase activity
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1i7q, PDBe:1i7q, PDBj:1i7q
PDBsum1i7q
PubMed11371633
UniProtP00897|TRPE_SERMA Anthranilate synthase component 1 (Gene Name=trpE)

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