Structure of PDB 1wsv Chain A Binding Site BS01

Receptor Information
>1wsv Chain A (length=371) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLRRTPLYDFHLAHGGKMVAFAGWSLPVQYRDSHTDSHLHTRQHCSLFDV
SHMLQTKILGSDRVKLMESLVVGDIAELRPNQGTLSLFTNEAGGILDDLI
VTNTSEGHLYVVSNAGCWEKDLALMQDKVRELQNQGRDVGLEVLDNALLA
LQGPTAAQVLQAGVADDLRKLPFMTSAVMEVFGVSGCRVTRCGYTGEDGV
EISVPVAGAVHLATAILKNPEVKLAGLAARDSLRLEAGLCLYGNDIDEHT
TPVEGSLSWTLGKRRRAAMDFPGAKVIVPQLKGRVQRRRVGLMCEGAPMR
AHSPILNMEGTKIGTVTSGCPSPSLKKNVAMGYVPCEYSRPGTMLLVEVR
RKQQMAVVSKMPFVPTNYYTL
Ligand information
Ligand IDTHH
InChIInChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
InChIKeyZNOVTXRBGFNYRX-STQMWFEESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CN1[CH](CNc2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O)CNc3nc(N)nc(O)c13
CACTVS 3.341CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc3nc(N)nc(O)c13
ACDLabs 10.04O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(c3c(nc(nc3NC2)N)O)C)CCC(=O)O
OpenEye OEToolkits 1.5.0CN1c2c(nc(nc2O)N)NCC1CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
FormulaC20 H25 N7 O6
NameN-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID;
5-METHYLTETRAHYDROFOLATE
ChEMBLCHEMBL1231574
DrugBankDB11256
ZINCZINC000002005305
PDB chain1wsv Chain A Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wsv Crystal Structure of Human T-protein of Glycine Cleavage System at 2.0A Resolution and its Implication for Understanding Non-ketotic Hyperglycinemia
Resolution2.6 Å
Binding residue
(original residue number in PDB)		M56 L88 D101 L102 I103 V115 N117 F176 G196 Y197 E204 R233 L242 Y371
Binding residue
(residue number reindexed from 1)		M53 L85 D98 L99 I100 V112 N114 F173 G193 Y194 E201 R230 L239 Y368
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D101
Catalytic site (residue number reindexed from 1) D98
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:0005654 nucleoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
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:1wsv, PDBe:1wsv, PDBj:1wsv
PDBsum1wsv
PubMed16051266
UniProtP48728|GCST_HUMAN Aminomethyltransferase, mitochondrial (Gene Name=AMT)

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