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Structure of PDB 5mms Chain E Binding Site BS02

Receptor Information >5mms Chain E (length=349) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] IRPDALSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRIN KIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTII EPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPT NARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQ CDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEEL NTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGG SAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFL

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 5mms Chain E Residue 503 [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 5mms A Clinically Relevant Variant of the Human Hydrogen Sulfide-Synthesizing Enzyme Cystathionine beta-Synthase: Increased CO Reactivity as a Novel Molecular Mechanism of Pathogenicity? Resolution 2.8 Å Binding residue (original residue number in PDB) K119 N149 G256 T257 G258 T260 G305 S349 P375 D376 Binding residue (residue number reindexed from 1) K76 N106 G213 T214 G215 T217 G257 S301 P327 D328 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) K119 S147 D281 S285 L287 S349 P375 Catalytic site (residue number reindexed from 1) K76 S104 D238 S242 L244 S301 P327 Enzyme Commision number 4.2.1.22: cystathionine beta-synthase.

Gene Ontology Molecular Function GO:0004122 cystathionine beta-synthase activity

	Biological Process
GO:0006535	cysteine biosynthetic process from serine
GO:0019343	cysteine biosynthetic process via cystathionine

	Cellular Component
GO:0005737	cytoplasm

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