Structure of PDB 8w0k Chain A

Receptor sequence

>8w0kA (length=380) Species: 707241 (Sinorhizobium meliloti SM11) [Search protein sequence]

STLRRAITAAYRRPETECLPPLVEAATQSKEIRDAAASTARKLIEALRGK
GEQFVTGETIREALKRSKELEEKGFSYSYDMLGEAATTAADAERYYRDYE
SAIHAIGKASAGRGIYEGPGISIKLSALHPRYSRAQAARVMGELLPRVKA
LALLAKNYDIGLNIDAEEADRLELSLDLLEVLCLDGDLSGWNGMGFVVQA
YGKRCPFVLDFIIDLARRSGRRIMVRLVKGAYWDAEIKRAQLDGLADFPV
FTRKIHTDVSYIACAAKLLAATDVVFPQFATHNAQTLAAIYHMAGKDFHV
GKYEFQCLHGMGEPLYEEVVGRGKLDRPCRIYAPVGTHETLLAYLVRRLL
ENGANSSFVHRINDPKVSIDELIADPVEVV

3D structure

PDB

8w0k Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)

Chain

Resolution

1.42 Å

3D
structure

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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	FAD	A	D306 A307 V338 Q340 R367 V369 K370 G371 A372 Y373 W374 F392 T393 R394 K395 T398 A421 T422 H423 N424 C448 L449 E492 S498 F499	D165 A166 V197 Q199 R226 V228 K229 G230 A231 Y232 W233 F251 T252 R253 K254 T257 A280 T281 H282 N283 C307 L308 E351 S357 F358
BS02	GHO	A	K265 A372 Y473 Y485 R488 R489	K124 A231 Y332 Y344 R347 R348

External links

PDB	RCSB:8w0k, PDBe:8w0k, PDBj:8w0k
PDBsum	8w0k
PubMed	39133178
UniProt	F7X6I3

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