Structure of PDB 8if7 Chain A Binding Site BS01

Receptor Information
>8if7 Chain A (length=342) Species: 66854 (Saccharothrix mutabilis subsp. capreolus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSTTAAEVLEHVDAAVAAYPEVPIARVRVEVAGIPRTLLLKLEGRSPWRS
IKGRTALGLVRSIAPRMASRDVTVVESTSGNLGVALSAICRDLGLPFVAV
VDLKQSPVIQAAIEANGARLEVVRTPAAATTHLLDRLDRVRKLVAEIPGA
VWPNQYENDANRHVHETWTAPEIDRQVGGEAQAVFVAVSTGGTLAGLAAH
FRRARPATRLVAVDVEGSTVFGGVPGGRVLTGIGASRRSTFLTRAECDDL
VYVREAAAIAACHVLRADTGIAVGGSSGAVVAGALDHLAAHPGLTTAVCV
CADLGENYARTVYDPDWLAPLRLTDDPGLLRSRLRGARFHHA
Ligand information
Ligand IDP1T
InChIInChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,13-14H,2,4-5H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyBXUDKFHCAMQSRX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNC(=C)C(O)=O)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CNC(=C)/C(=O)O)C
FormulaC11 H15 N2 O7 P
Name2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID
ChEMBL
DrugBank
ZINCZINC000103552502
PDB chain8if7 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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PDB8if7 Crystal structure of CmnB involved in the biosynthesis of the nonproteinogenic amino acid L-2,3-diaminopropionic acid.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		K62 T88 S89 N91 L92 V198 S199 T200 G201 T203 G242 S286 A312 D313
Binding residue
(residue number reindexed from 1)		K52 T78 S79 N81 L82 V188 S189 T190 G191 T193 G232 S276 A302 D303
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004124 cysteine synthase activity
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:1901605 alpha-amino acid metabolic 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:8if7, PDBe:8if7, PDBj:8if7
PDBsum8if7
PubMed37405487
UniProtA6YEH3

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