Structure of PDB 4d9k Chain B Binding Site BS01

Receptor Information
>4d9k Chain B (length=357) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSVFSLKIDIADNKFFNGETSPLFSQSQAKLARQFHQKIAGYRPTPLCAL
DDLANLFGVKKILVKDESKRFGLNAFKMLGGAYAIAQLLCEKYHLDIETL
SEKMTFATTTDGNHGRGVAWAAQQLGQNAVIYMPKGSAQERVDAILNLGA
ECIVTDMNYDDTVRLTMQHAQQHGWEVVQDTAWEGYTKIPTWIMQGYATL
ADEAVEQMREMGVTPTHVLLQAGVGAMAGGVLGYLVDVYSPQNLHSIIVE
PDPNPLGWEILRNCATQFISCQDSVAALGMRVLGNPYGNDPRIISGESGA
VGLGVLAAVHYHPQRQSLMEKLALNKDAVVLVISTEGDTDVKHYREVVWE
GKHAVAP
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4d9k Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4d9k Crystal Structure of Escherichia coli Diaminopropionate Ammonia-lyase Reveals Mechanism of Enzyme Activation and Catalysis
Resolution2.19 Å
Binding residue
(original residue number in PDB)		A231 G232 V233 A235 M236
Binding residue
(residue number reindexed from 1)		A222 G223 V224 A226 M227
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K77 T376
Catalytic site (residue number reindexed from 1) K77 T335
Enzyme Commision number 4.3.1.15: diaminopropionate ammonia-lyase.
Gene Ontology
Molecular Function
GO:0008838 diaminopropionate ammonia-lyase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity

View graph for
Molecular Function
External links
PDB RCSB:4d9k, PDBe:4d9k, PDBj:4d9k
PDBsum4d9k
PubMed22505717
UniProtP66899|DPAL_ECOLI Diaminopropionate ammonia-lyase (Gene Name=ygeX)

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