Structure of PDB 1wor Chain A Binding Site BS01

Receptor Information
>1wor Chain A (length=362) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRTPLFEKHVELGAKMVDFAGWEMPLYYTSIFEEVMAVRKSVGMFDVSH
MGEFLVKGPEAVSFIDFLITNDFSSLPDGKAIYSVMCNENGGIIDDLVVY
KVSPDEALMVVNAANIEKDFNWIKSHSKNFDVEVSNISDTTALIAFQGPK
AQETLQELVEDGLEEIAYYSFRKSIVAGVETLVSRTGYTGEDGFELMLEA
KNAPKVWDALMNLLRKIDGRPAGLGARDVCRLEATYLLYGQDMDENTNPF
EVGLSWVVKLNKDFVGKEALLKAKEKVERKLVALELSGKRIARKGYEVLK
NGERVGEITSGNFSPTLGKSIALALVSKSVKIGDQLGVVFPGGKLVEALV
VKKPFYRGSVRR
Ligand information
Ligand IDRED
InChIInChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1
InChIKeyIZFHEQBZOYJLPK-SSDOTTSWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CC(CCS)S
OpenEye OEToolkits 1.5.0C(CCC(=O)O)C[C@H](CCS)S
ACDLabs 10.04O=C(O)CCCCC(S)CCS
CACTVS 3.341OC(=O)CCCC[C@@H](S)CCS
CACTVS 3.341OC(=O)CCCC[CH](S)CCS
FormulaC8 H16 O2 S2
NameDIHYDROLIPOIC ACID
ChEMBLCHEMBL1235647
DrugBankDB03760
ZINCZINC000003869601
PDB chain1wor Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wor Crystal Structure of T-protein of the Glycine Cleavage System: Cofactor binding, insights into H-protein recognition, and molecular basis for understanding nonketotic hyperglycinemia
Resolution1.95 Å
Binding residue
(original residue number in PDB)		F20 L224 R227 D228 L238
Binding residue
(residue number reindexed from 1)		F20 L224 R227 D228 L238
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D96
Catalytic site (residue number reindexed from 1) D96
Enzyme Commision number 2.1.2.10: aminomethyltransferase.
Gene Ontology
Molecular Function
GO:0004047 aminomethyltransferase activity
GO:0008483 transaminase activity
Biological Process
GO:0006546 glycine catabolic process
GO:0019464 glycine decarboxylation via glycine cleavage system
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005960 glycine cleavage complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wor, PDBe:1wor, PDBj:1wor
PDBsum1wor
PubMed15355973
UniProtQ9WY54|GCST_THEMA Aminomethyltransferase (Gene Name=gcvT)

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