Structure of PDB 7en1 Chain A

Receptor sequence

>7en1A (length=1320) Species: 208964 (Pseudomonas aeruginosa PAO1)

QDRDQPFELSSVQQAYWLGRGAGEVLGNVSCHAFLEFRTRDVDPQRLAAA
AECVRQRHPMLRARFLDGRQQILPTPPLSCFDLQDWRTLQVDEAERDWQA
LRDWRAHECLAVERGQVFLLGLVRMPGGEDRLWLSLDLLAADVESLRLLL
AELGVAYLAPERLAEPPALHFADYLAHRAAQRAEAAARARDYWLERLPRL
PDAPALPLACAPESIRQPRTRRLAFQLSAGESRRLERLAAQHGVTLSSVF
GCAFALVLARWSESAEFLLNVPLFDRHADDPRIGEVIADFTTLLLLECRM
QAGVSFAEAVKSFQRNLHGAIDHAAFPALEVLREARRQGQPRSAPVVFAS
NLGEEGFVPAAFRDAFGDLHDMLSQTPQVWLDHQLYRVGDGILLAWDSVV
GLFPEGLPETMFEAYVGLLQRLCDSAWGQPADLPLPWAQQARRALLNGQP
ACATARTLHRDFFLRAAEAPDADALLYRDQRVTRGELAERALRIAGGLRE
AGVRPGDAVEVSLPRGPQQVAAVFGVLAAGACYVPLDIDQPPARRRLIEE
AAGVCLAITEEDDPQALPPRLDVQRLLRGPALAAPVPLAPQASAYVIYTS
GSTGVPKGVEVSHAAAINTIDALLDLLRVNASDRLLAVSALDFDLSVFDL
FGGLGAGASLVLPAQEQARDAAAWAEAIQRHAVSLWNSAPALLEMALSLP
ASQADYRSLRAVLLSGDWVALDLPGRLRPRCAEGCRLHVLGGATEAGIWS
NLQSVDTVPPHWRSIPYGRPLPGQAYRVVDTHGRDVPDLVVGELWIGGAS
LARGYRNDPELSARRFVHDAQGRWYRTGDRGRYWGDGTLEFLGRVDQQVK
VRGQRIELGEVEAALCAQAGVESACAAVLGGGVASLGAVLVPRLAPRAEG
SMDLPAAQPFAGLAEAEAVLTREILGALLEAPLELDDGLRRRWLDWLADS
AASALPSLDEALRRLGWQAAGLTAMGNALRGLLAGEQAPAALLLDPWLAP
QAVAARLPDGREALARLLEALPTPAAGERLRVAVLDTRAGLWLDQGMASL
LRPGLELTLFERSRVLLDAAATRLPERIVVQALDDGLLPAEHLGRYDRVI
SFAALHAYEASREGLALAAALLRPQGRLLLVDLLCESPLALLGAALLDDR
PLRLAELPSLLADLAAAGLAPRCLWRSERIALVEALAPGLGLDAAALQAG
LEQRLPQAMRPERLWCLPSLPLNGNGKVDRRRLAESMTRALGAEEPLEAH
EQALAECWEAVLKRPVRRREASFFSLGGDSLLATRLLAGIRERFGVRLGM
ADFYRQPTLAGLARHLQVQT

3D structure

• PDB: 7en1 Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
• Chain: A
• Resolution: 3.47 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	A	L116 E122 L391 L427 R431 Q476 S1385 L1386	L18 E24 L293 L329 R333 Q378 S1280 L1281
BS02	J9F	A	Y114 C129 A131 L236 V241 P370 V445 M470 S472 T474 D480	Y16 C31 A33 L138 V143 P272 V347 M372 S374 T376 D382
BS03	AMP	A	G814 D815 W816 L838 G839 G840 Y865 D927 F939 R942 K1325	G716 D717 W718 L740 G741 G742 Y767 D829 F841 R844 K1227
BS04	CYS	A	F741 D742 G840 A841 T842 K1325	F643 D644 G742 A743 T744 K1227

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:7en1, PDBe:7en1, PDBj:7en1
• PDBsum: 7en1
• PubMed: 35105906
• UniProt: G3XCV2|PCHE_PSEAE Pyochelin synthase PchE (Gene Name=pchE)