Structure of PDB 1lw4 Chain D Binding Site BS01

Receptor Information
>1lw4 Chain D (length=344) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMIDLRSDTVTKPTEEMRKAMAQAEVGDDVYGEDPTINELERLAAETFGK
EAALFVPSGTMGNQVSIMAHTQRGDEVILEADSHIFWYEVGAMAVLSGVM
PHPVPGKNGAMDPDDVRKAIRPRNIHFPRTSLIAIENTHNRSGGRVVPLE
NIKEICTIAKEHGINVHIDGARIFNASIASGVPVKEYAGYADSVMFCLSK
GLCAPVGSVVVGDRDFIERARKARKMLGGGMRQAGVLAAAGIIALTKMVD
RLKEDHENARFLALKLKEIGYSVNPEDVKTNMVILRTDNLKVNAHGFIEA
LRNSGVLANAVSDTEIRLVTHKDVSRNDIEEALNIFEKLFRKFS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1lw4 Chain A Residue 1056 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lw4 X-ray Structures of Threonine Aldolase Complexes: Structural Basis of Substrate Recognition
Resolution1.9 Å
Binding residue
(original residue number in PDB)
T8 T10 S198 A203
Binding residue
(residue number reindexed from 1)
T9 T11 S199 A204
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.5: L-threonine aldolase.
Gene Ontology
Molecular Function
GO:0008732 L-allo-threonine aldolase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0006545 glycine biosynthetic process
GO:0006567 threonine catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:1lw4, PDBe:1lw4, PDBj:1lw4
PDBsum1lw4
PubMed12269813
UniProtQ9X266

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