Structure of PDB 2hs4 Chain A Binding Site BS03

Receptor Information
>2hs4 Chain A (length=602) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLRYLNILKEKLGREPTFVELQAFSVMWSEHCGYSHTKKYIRRLPKTGFE
GNAGVVNLDDYYSVAFKIESHNHPSAIEPYNGAATGVGGIIRDVLAMGAR
PTAIFDSLHMSRIIDGIIEGIADYGNSIGVPTVGGELRISSLYAHNPLVN
VLAAGVVRNDMLVDSKASRPGQVIVIFGGATGRDGIHGASFASEDLTGDK
ATKLSIQVGDPFAEKMLIEAFLEMVEEGLVEGAQDLGAGGVLSATSELVA
KGNLGAIVHLDRVPLREPDMEPWEILISESQERMAVVTSPQKASRILEIA
RKHLLFGDVVAEVIEEPVYRVMYRNDLVMEVPVQLLANAPEEDIVEYTPG
KIPEFKRVEFEEVNAREVFEQYDHMVGTDTVVPPGFGAAVMRIKRDGGYS
LVTHSRADLALQDTYWGTLIAVLESVRKTLSVGAEPLAITNCVNYGDPDV
DPVGLSAMMTALKNACEFSGVPVASGNASLYNTYQGKPIPPTLVVGMLGK
VNPQKVAKPKPSKVFAVGWNDFELEREKELWRAIRKLSEEGAFILSSSQL
LTRTHVETFREYGLKIEVKLPEVRPAHQMVLVFSERTPVVDVPVKEIGTL
SR
Ligand information
Ligand IDFGR
InChIInChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
InChIKeyVDXLUNDMVKSKHO-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O
ACDLabs 10.04O=C(NC1OC(C(O)C1O)COP(=O)(O)O)CNC=O
CACTVS 3.341O[CH]1[CH](O)[CH](NC(=O)CNC=O)O[CH]1CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)NC(=O)CNC=O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@H](NC(=O)CNC=O)O[C@@H]1CO[P](O)(O)=O
FormulaC8 H15 N2 O9 P
NameN-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE
ChEMBL
DrugBank
ZINC
PDB chain2hs4 Chain A Residue 2166 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hs4 Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H32 S71 H72 N73 H74 P75 R93 G189 A193 Q208 A239 E280 Q282 S480
Binding residue
(residue number reindexed from 1)		H31 S70 H71 N72 H73 P74 R92 G188 A192 Q207 A238 E279 Q281 S479
Annotation score3
Enzymatic activity
Enzyme Commision number 6.3.5.3: phosphoribosylformylglycinamidine synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004642 phosphoribosylformylglycinamidine synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hs4, PDBe:2hs4, PDBj:2hs4
PDBsum2hs4
PubMed17154526
UniProtQ9X0X3|PURL_THEMA Phosphoribosylformylglycinamidine synthase subunit PurL (Gene Name=purL)

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