Structure of PDB 1woo Chain A Binding Site BS01

Receptor Information
>1woo 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 IDTHG
InChIInChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1
InChIKeyMSTNYGQPCMXVAQ-RYUDHWBXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N
CACTVS 3.341NC1=NC2=C(N[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N
ACDLabs 10.04O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC=2C(=O)NC(=NC=2NC3)N)CCC(=O)O
CACTVS 3.341NC1=NC2=C(N[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
FormulaC19 H23 N7 O6
Name(6S)-5,6,7,8-TETRAHYDROFOLATE
ChEMBL
DrugBankDB02031
ZINCZINC000004228237
PDB chain1woo Chain A Residue 2887 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1woo Crystal Structure of T-protein of the Glycine Cleavage System: Cofactor binding, insights into H-protein recognition, and molecular basis for understanding nonketotic hyperglycinemia
Resolution2.4 Å
Binding residue
(original residue number in PDB)		M51 Y83 D96 V98 V110 N112 Y168 Y169 Y188 E195 Y236 R362
Binding residue
(residue number reindexed from 1)		M51 Y83 D96 V98 V110 N112 Y168 Y169 Y188 E195 Y236 R362
Annotation score4
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:1woo, PDBe:1woo, PDBj:1woo
PDBsum1woo
PubMed15355973
UniProtQ9WY54|GCST_THEMA Aminomethyltransferase (Gene Name=gcvT)

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