Structure of PDB 6l0r Chain C Binding Site BS01

Receptor Information

>6l0r Chain C (length=382) Species: 272557 (Aeropyrum pernix K1)

ALADISGYLDVLDSVRGFSYLENAREVLRSGEARCLGNPRSEPEYVKALY
VIGASRIPVGDGCSHTLEELGVFDISVPGEMVFPSPLDFFERGKPTPLVR
SRLQLPNGVRVWLKLEWYNPFSLSVADRPAVEIISRLSRRVEKGSLVADA
TSSNFGVALSAVARLYGYRARVYLPGAAEEFGKLLPRLLGAQVIVDPEAP
STVHLLPRVMKDSKNEGFVHVNQYYNDANFEAHMRGTAREIFVQSRRGGL
ALRGVAGSLGTSGHMSAAAFYLQSVDPSIRAVLVQPAQGDSIPGIARVET
GMLWINMLDISYTLAEVTLEEAMEAVVEVARSDGLVIGPSGGAAVKALAK
KAAEGDLEPGDYVVVVPDTGFKYLSLVQNALE

Ligand information

• Ligand ID: E1R
• InChI: InChI=1S/C13H17N2O9P/c1-7-12(17)10(9(3-14-7)5-24-25(20,21)22)4-15-11(13(18)19)6-23-8(2)16/h3-4,11,17H,5-6H2,1-2H3,(H,18,19)(H2,20,21,22)/b15-4+/t11-/m0/s1
• InChIKey: CDKXKQFHRCVQDP-WCFOZWBASA-N
• SMILES:
  CACTVS 3.385: CC(=O)OC[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
  OpenEye OEToolkits 2.0.7: Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COC(=O)C)C(=O)O)O
  CACTVS 3.385: CC(=O)OC[C@H](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
  OpenEye OEToolkits 2.0.7: Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(COC(=O)C)C(=O)O)O
• Formula: C13 H17 N2 O9 P
• Name: (2S)-3-acetyloxy-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid
• PDB chain: 6l0r Chain C Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6l0r Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
• Resolution: 1.79 Å
• Binding residue (original residue number in PDB): T152 S153 N155 F156 Q224 Y225 L260 G261 T262 S263 G264 H265 G295 I296 S341 P368 D369
• Binding residue (residue number reindexed from 1): T151 S152 N154 F155 Q223 Y224 L259 G260 T261 S262 G263 H264 G294 I295 S340 P367 D368
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.47: cysteine synthase.
  2.5.1.65: O-phosphoserine sulfhydrylase.
  4.2.1.22: cystathionine beta-synthase.

Gene Ontology

Molecular Function

• GO:0004122 cystathionine beta-synthase activity
• GO:0004124 cysteine synthase activity
• GO:0016740 transferase activity
• GO:0016829 lyase activity
• GO:0033847 O-phosphoserine sulfhydrylase activity

Biological Process

• GO:0006534 cysteine metabolic process
• GO:0006535 cysteine biosynthetic process from serine
• GO:0009069 serine family amino acid metabolic process
• GO:0019344 cysteine biosynthetic process
• GO:0044272 sulfur compound biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6l0r, PDBe:6l0r, PDBj:6l0r
• PDBsum: 6l0r
• PubMed: 33563496
• UniProt: Q9YBL2|CYSO_AERPE Protein CysO (Gene Name=cysO)