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Receptor Information

>1wop 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 ID

FFO

InChI

InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1

InChIKey

VVIAGPKUTFNRDU-STQMWFEESA-N

SMILES

Software	SMILES
CACTVS 3.370	NC1=NC2=C(N(C=O)[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1
OpenEye OEToolkits 1.7.2	c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N
ACDLabs 12.01	O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O)O
CACTVS 3.370	NC1=NC2=C(N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1

Formula

C20 H23 N7 O7

Name

N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid;
[6S]-5-FORMYL-TETRAHYDROFOLATE;
6S-FOLINIC ACID

PDB chain

1wop 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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Structure summary

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PDB	1wop Crystal Structure of T-protein of the Glycine Cleavage System: Cofactor binding, insights into H-protein recognition, and molecular basis for understanding nonketotic hyperglycinemia
Resolution	2.0 Å
Binding residue (original residue number in PDB)	M51 Y83 D96 V98 V110 N112 Y168 Y169 Y188 E195 R227 Y236 R362
Binding residue (residue number reindexed from 1)	M51 Y83 D96 V98 V110 N112 Y168 Y169 Y188 E195 R227 Y236 R362
Annotation score	3

Catalytic site (original residue number in PDB)	D96
Catalytic site (residue number reindexed from 1)	D96
Enzyme Commision number	2.1.2.10: aminomethyltransferase.

	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

PDB	RCSB:1wop, PDBe:1wop, PDBj:1wop
PDBsum	1wop
PubMed	15355973
UniProt	Q9WY54\|GCST_THEMA Aminomethyltransferase (Gene Name=gcvT)

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Structure of PDB 1wop Chain A Binding Site BS01