Structure of PDB 8k5s Chain A

Receptor sequence

>8k5sA (length=521) Species: 562 (Escherichia coli)

IPFTRWPEEFARRYREKGYWQDLPLTDILTRHAASDSIAVIDGERQLSYR
ELNQAADNLACSLRRQGIKPGETALVQLGNVAELYITFFALLKLGVAPVL
ALFSHQRSELNAYASQIEPALLIADRQHALFSGDDFLNTFVTEHSSIRVV
QLLNDSGEHNLQDAINHPAEDFTATPSPADEVAYFQLSGGTTGTPKLIPR
THNDYYYSVRRSVEICQFTQQTRYLCAIPAAHGYAMSSPGSLGVFLAGGT
VVLAADPSATLCFPLIEKHQVNVTALVPPAVSLWLQALIEGESRAQLASL
KLLQVGGARLSATLAARIPAEIGCQLQQVFGMAEGLVNYTRLDDSAEKII
HTQGYPMCPDDEVWVADAEGNPLPQGEVGRLMTRGPYTFRGYYKSPQHNA
SAFDANGFYCSGDLISIDPEGYITVQGREKDQINRGGEKIAAEEIENLLL
RHPAVIYAALVSMEDELMGEKSCAYLVVKEPLRAVQVRRFLREQGIAEFK
LPDRVECVDSLPLVDKKQLRQ

3D structure

• PDB: 8k5s Reprogrammed aryl acid adenylation domain with an enlarged substrate binding pocket
• Chain: A
• Resolution: 2.65 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	VPT	A	H234 G235 Y236 S240 G309 A310 R311 V331 F332 G333 M334 A335 D415 V427 K432 K441	H232 G233 Y234 S238 G307 A308 R309 V329 F330 G331 M332 A333 D413 V425 K430 K439

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0008668 2,3-dihydroxybenzoate--[aryl-carrier protein] ligase
• GO:0016746 acyltransferase activity
• GO:0016874 ligase activity
• GO:0016877 ligase activity, forming carbon-sulfur bonds
• GO:0047527 2,3-dihydroxybenzoate-serine ligase activity

Biological Process

• GO:0009239 enterobactin biosynthetic process

Cellular Component

• GO:0005829 cytosol
• GO:0016020 membrane

External links

• PDB: RCSB:8k5s, PDBe:8k5s, PDBj:8k5s
• PDBsum: 8k5s
• UniProt: P10378|ENTE_ECOLI Enterobactin synthase component E (Gene Name=entE)