Structure of PDB 7emy Chain B

Receptor sequence

>7emyB (length=1334) Species: 208964 (Pseudomonas aeruginosa PAO1)

SRTALRDWLTEQLADLLGEPLADVRALADDDDLLGCGLDSIRLMYLQERL
RARGSTLDFAQLAQRPCLGAWLDLLACADRLSAPATVALPTAQDRDQPFE
LSSVQQAYWLGRGAGEVLGNVSCHAFLEFRTRDVDPQRLAAAAECVRQRH
PMLRARFLDGRQQILPTPPLSCFDLQDWRTLQVDEAERDWQALRDWRAHE
CLAVERGQVFLLGLVRMPGGEDRLWLSLDLLAADVESLRLLLAELGVAYL
APERLAEPPALHFADYLAHRAAQRAEAAARARDYWLERLPRLPDAPALPL
ACAPESIRQPRTRRLAFQLSAGESRRLERLAAQHGVTLSSVFGCAFALVL
ARWSESAEFLLNVPLFDRHADDPRIGEVIADFTTLLLLECRMQAGVSFAE
AVKSFQRNLHGAIDHAAFPALEVLREARRQGQPRSAPVVFASNLGEEGFV
PAAFRDAFGDLHDMLSQTPQVWLDHQLYRVGDGILLAWDSVVGLFPEGLP
ETMFEAYVGLLQRLCDSAWGQPADLPLPWAQQARRALLNGQPACATARTL
HRDFFLRAAEAPDADALLYRDQRVTRGELAERALRIAGGLREAGVRPGDA
VEVSLPRGPQQVAAVFGVLAAGACYVPLDIDQPPARRRLIEEAAGVCLAI
TEEDDPQALPPRLDVQRLLRGPALAAPVPLAPQASAYVIYTSGSTGVPKG
VEVSHAAAINTIDALLDLLRVNASDRLLAVSALDFDLSVFDLFGGLGAGA
SLVLPAQEQARDAAAWAEAIQRHAVSLWNSAPALLEMALSLPASQADYRS
LRAVLLSGDWVALDLPGRLRPRCAEGCRLHVLGGATEAGIWSNLQSVDTV
PPHWRSIPYGRPLPGQAYRVVDTHGRDVPDLVVGELWIGGASLARGYRND
PELSARRFVHDAQGRWYRTGDRGRYWGDGTLEFLGRVDQQVKVRGQRIEL
GEVEAALCAQAGVESACAAVLGGGVASLGAVLVPRLAPRAEGSMDLPAAQ
PFAGLAEAEAVLTREILGALLEAPLELDDGLRRRWLDWLADSAASALPSL
DEALRRLGWQAAGLTAMGNALRGLLAGEQAPAALLLDPWLAPQAVAARLP
DGREALARLLEALPTPAAGERLRVAVLDTRAGLWLDQGMASLLRPGLELT
LFERSRVLLDAAATRLPERIVVQALDDGLLPAEHLGRYDRVISFAALHAY
EASREGLALAAALLRPQGRLLLVDLLCESPLALLGAALLDDRPLRLAELP
SLLADLAAAGLAPRCLWRSERIALVEALAPGLGLDAAALQAGLEQRLPQA
MRPERLWCLPSLPLNGNGKVDRRRLAESMTRALG

3D structure

• PDB: 7emy Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
• Chain: B
• Resolution: 2.97 Å

Enzymatic activity

• Enzyme Commision number: 6.2.1.69: L-cysteine--[L-cysteinyl-carrier protein] ligase.

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	PNS	B	S46 I47 D240 V241 T343 S345 S346 V369 P370 S448 N449	S40 I41 D234 V235 T337 S339 S340 V363 P364 S442 N443
BS02	MG	B	Q946 R953	Q940 R947
BS03	AMP	B	G814 D815 W816 L838 G839 G840 A841 T842 Y865 D927 F939 Q946 K948 R953	G808 D809 W810 L832 G833 G834 A835 T836 Y859 D921 F933 Q940 K942 R947
BS04	CYS	B	F741 D742 L743 G814 G840 T842 I846	F735 D736 L737 G808 G834 T836 I840

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016874 ligase activity
• GO:0031177 phosphopantetheine binding
• GO:0047527 2,3-dihydroxybenzoate-serine ligase activity

Biological Process

• GO:0009239 enterobactin biosynthetic process
• GO:0017000 antibiotic biosynthetic process
• GO:0043041 amino acid activation for nonribosomal peptide biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0009366 enterobactin synthetase complex

External links

• PDB: RCSB:7emy, PDBe:7emy, PDBj:7emy
• PDBsum: 7emy
• PubMed: 35105906
• UniProt: G3XCV2|PCHE_PSEAE Pyochelin synthase PchE (Gene Name=pchE)