Structure of PDB 7en2 Chain B

Receptor sequence

>7en2B (length=1410) Species: 208964 (Pseudomonas aeruginosa PAO1)

SRTALRDWLTEQLADLLGEPLADVRALADDDDLLGCGLDSIRLMYLQERL
RARGSTLDFAQLAQRPCLGAWLDLLACADSAPATVALPTAQDRDQPFELS
SVQQAYWLGRGAGEVLGNVSCHAFLEFRTRDVDPQRLAAAAECVRQRHPM
LRARFLDGRQQILPTPPLSCFDLQDWRTLQVDEAERDWQALRDWRAHECL
AVERGQVFLLGLVRMPGGEDRLWLSLDLLAADVESLRLLLAELGVAYLAP
ERLAEPPALHFADYLAHRAAQRAEAAARARDYWLERLPRLPDAPALPLAC
APESIRQPRTRRLAFQLSAGESRRLERLAAQHGVTLSSVFGCAFALVLAR
WSESAEFLLNVPLFDRHADDPRIGEVIADFTTLLLLECRMQAGVSFAEAV
KSFQRNLHGAIDHAAFPALEVLREARRQGQPRSAPVVFASNLGEEGFVPA
AFRDAFGDLHDMLSQTPQVWLDHQLYRVGDGILLAWDSVVGLFPEGLPET
MFEAYVGLLQRLCDSAWGQPADLPLPWAQQARRALLNGQPACATARTLHR
DFFLRAAEAPDADALLYRDQRVTRGELAERALRIAGGLREAGVRPGDAVE
VSLPRGPQQVAAVFGVLAAGACYVPLDIDQPPARRRLIEEAAGVCLAITE
EDDPQALPPRLDVQRLLRGPALAAPVPLAPQASAYVIYTSGSTGVPKGVE
VSHAAAINTIDALLDLLRVNASDRLLAVSALDFDLSVFDLFGGLGAGASL
VLPAQEQARDAAAWAEAIQRHAVSLWNSAPALLEMALSLPASQADYRSLR
AVLLSGDWVALDLPGRLRPRCAEGCRLHVLGGATEAGIWSNLQSVDTVPP
HWRSIPYGRPLPGQAYRVVDTHGRDVPDLVVGELWIGGASLARGYRNDPE
LSARRFVHDAQGRWYRTGDRGRYWGDGTLEFLGRVDQQVKVRGQRIELGE
VEAALCAQAGVESACAAVLGGGVASLGAVLVPRLAPRAEGSMDLPAAQPF
AGLAEAEAVLTREILGALLEAPLELDDGLRRRWLDWLADSAASALPSLDE
ALRRLGWQAAGLTAMGNALRGLLAGEQAPAALLLDPWLAPQAVAARLPDG
REALARLLEALPTPAAGERLRVAVLDTRAGLWLDQGMASLLRPGLELTLF
ERSRVLLDAAATRLPERIVVQALDDGLLPAEHLGRYDRVISFAALHAYEA
SREGLALAAALLRPQGRLLLVDLLCESPLALLGAALLDDRPLRLAELPSL
LADLAAAGLAPRCLWRSERIALVEALAPGLGLDAAALQAGLEQRLPQAMR
PERLWCLPSLPLNGNGKVDRRRLAESMTRALGAEEPLEAHEQALAECWEA
VLKRPVRRREASFFSLGGDSLLATRLLAGIRERFGVRLGMADFYRQPTLA
GLARHLQVQT

3D structure

• PDB: 7en2 Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
• Chain: B
• Resolution: 3.78 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 V369 P370 L371 S448 N449	S40 I41 D232 V233 T335 S337 V361 P362 L363 S440 N441
BS02	AMP	B	G814 D815 L838 G839 G840 A841 T842 Y865 D927 F939	G806 D807 L830 G831 G832 A833 T834 Y857 D919 F931

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:7en2, PDBe:7en2, PDBj:7en2
• PDBsum: 7en2
• PubMed: 35105906
• UniProt: G3XCV2|PCHE_PSEAE Pyochelin synthase PchE (Gene Name=pchE)