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Structure of PDB 1qz9 Chain A Binding Site BS01

Receptor Information >1qz9 Chain A (length=404) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TTRNDCLALDAQDSLAPLRQQFALPEGVIYLDGNSLGARPVAALARAQAV IAEEWGNGLIRSWNSAGWRDLSERLGNRLATLIGARDGEVVVTDTTSINL FKVLSAALRVQATRSPERRVIVTETSNFPTDLYIAEGLADMLQQGYTLRL VDSPEELPQAIDQDTAVVMLTHVNYKTGYMHDMQALTALSHECGALAIWD LAHSAGAVPVDLHQAGADYAIGCTYKYLNGGPGSQAFVWVSPQLCDLVPQ PLSGWFGHSRQFAMEPRYEPSNGIARYLCGTQPITSLAMVECGLDVFAQT DMASLRRKSLALTDLFIELVEQRCAAHELTLVTPREHAKRGSHVSFEHPE GYAVIQALIDRGVIGDYREPRIMRFGFTPLYTTFTEVWDAVQILGEILDR KTWA

Ligand information Ligand ID PLP InChI InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) InChIKey NGVDGCNFYWLIFO-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O ACDLabs 10.04 O=P(O)(O)OCc1cnc(c(O)c1C=O)C Formula C8 H10 N O6 P Name PYRIDOXAL-5'-PHOSPHATE; VITAMIN B6 Phosphate ChEMBL CHEMBL82202 DrugBank DB00114 ZINC ZINC000001532514 PDB chain 1qz9 Chain A Residue 1227 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1qz9 Three-Dimensional Structure of Kynureninase from Pseudomonas fluorescens. Resolution 1.85 Å Binding residue (original residue number in PDB) T96 T97 S98 F129 D132 T172 D201 A203 H204 C224 Y226 K227 Binding residue (residue number reindexed from 1) T95 T96 S97 F128 D131 T171 D200 A202 H203 C223 Y225 K226 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) F129 D201 Y226 K227 R375 Catalytic site (residue number reindexed from 1) F128 D200 Y225 K226 R374 Enzyme Commision number 3.7.1.3: kynureninase.

Gene Ontology Molecular Function GO:0016787 hydrolase activity GO:0030170 pyridoxal phosphate binding GO:0030429 kynureninase activity

	Biological Process
GO:0006569	tryptophan catabolic process
GO:0009435	NAD biosynthetic process
GO:0019363	pyridine nucleotide biosynthetic process
GO:0019441	tryptophan catabolic process to kynurenine
GO:0019805	quinolinate biosynthetic process
GO:0034354	'de novo' NAD biosynthetic process from tryptophan
GO:0043420	anthranilate metabolic process
GO:0097053	L-kynurenine catabolic process

	Cellular Component
GO:0005737	cytoplasm

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