Structure of PDB 8w0k Chain B

Receptor sequence

>8w0kB (length=383) Species: 707241 (Sinorhizobium meliloti SM11) [Search protein sequence]

RPQSTLRRAITAAYRRPETECLPPLVEAATQSKEIRDAAASTARKLIEAL
RGKGEQFVTGETIREALKRSKELEEKGFSYSYDMLGEAATTAADAERYYR
DYESAIHAIGKASAGRGIYEGPGISIKLSALHPRYSRAQAARVMGELLPR
VKALALLAKNYDIGLNIDAEEADRLELSLDLLEVLCLDGDLSGWNGMGFV
VQAYGKRCPFVLDFIIDLARRSGRRIMVRLVKGAYWDAEIKRAQLDGLAD
FPVFTRKIHTDVSYIACAAKLLAATDVVFPQFATHNAQTLAAIYHMAGKD
FHVGKYEFQCLHGMGEPLYEEVVGRGKLDRPCRIYAPVGTHETLLAYLVR
RLLENGANSSFVHRINDPKVSIDELIADPVEVV

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	B	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	D168 A169 V200 Q202 R229 V231 K232 G233 A234 Y235 W236 F254 T255 R256 K257 T260 A283 T284 H285 N286 C310 L311 E354 S360 F361
BS02	GHO	B	K265 A372 Y473 Y485 R488 R489	K127 A234 Y335 Y347 R350 R351

External links

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

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