Structure of PDB 5b55 Chain A Binding Site BS01

Receptor Information
>5b55 Chain A (length=334) Species: 190304 (Fusobacterium nucleatum subsp. nucleatum ATCC 25586) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKKMKYLENLVGKTPMLELIFDYKGEERRIFVKNESYNLTGSIKDRMAFY
TLKKAYEKNEIKKGAPIVEATSGNTGIAFSAMGAILGHPVIIYMPDWMSE
ERKSLIRSFGAKIILVSRKEGGFLGSIEKTKEFAKNNPDTYLPSQFSNLY
NSEAHYYGIGLEIVNEMKSLNLNIDGFVAGVGTGGTVMGIGKRIKENFSN
AKICPLEPLNSPTLSTGYKVAKHRIEGISNEFIPDLVKLDKLDNVVSVDD
GDAIVMAQKLAKCGLGVGISSGANFIGALMLQNKLGKDSVIVTVFPDDNK
KYLSTDLMREEKVKEDFLSKDITLKEIKNVLRVI
Ligand information
Ligand IDPLP
InChIInChI=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)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5b55 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b55 Structural insights into the catalytic mechanism of cysteine (hydroxyl) lyase from the hydrogen sulfide-producing oral pathogen,Fusobacterium nucleatum.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		K46 N76 G184 T185 G186 T188 S272
Binding residue
(residue number reindexed from 1)		K44 N74 G182 T183 G184 T186 S270
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K46 S272
Catalytic site (residue number reindexed from 1) K44 S270
Enzyme Commision number 2.5.1.47: cysteine synthase.
Gene Ontology
Molecular Function
GO:0004124 cysteine synthase activity
GO:0016740 transferase activity
GO:0080146 L-cysteine desulfhydrase activity
Biological Process
GO:0006534 cysteine metabolic process
GO:0006535 cysteine biosynthetic process from serine
GO:0009069 serine family amino acid metabolic process
GO:0044272 sulfur compound biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5b55, PDBe:5b55, PDBj:5b55
PDBsum5b55
PubMed29343611
UniProtQ8REP3

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