Structure of PDB 3ty3 Chain A Binding Site BS01

Receptor Information
>3ty3 Chain A (length=358) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRIVLGLIPADGIGKEVVPAARRLMENLPAKHKLKFDFIDLDAGWGTFER
TGKALPERTVERLKTECNAALFGAVQSPTHKVAGYSSPIVALRKKMGLYA
NVRPVKSLDGAKGKPVDLVIVRENTECLYVKEERMVQNTPGKRVAEAIRR
ISEEASTKIGKMAFEIAKSRQKIRESGTYSIHKKPLVTIIHKSNVMSVTD
GLFRESCRHAQSLDPSYASINVDEQIVDSMVYRLFREPECFDVVVAPNLY
GDILSDGAASLIGSLGLVPSANVGDNFVMSEPVHGSAPDIAGRGIANPVA
TFRSVALMLEFMGHQDAAADIYTAVDKVLTEGKVLTPDLGGKSGTNEITD
AVLANIHN
Ligand information
Ligand IDGGG
InChIInChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
InChIKeyXKUKSGPZAADMRA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)NCC(=O)NCC(=O)O)N
ACDLabs 10.04O=C(NCC(=O)O)CNC(=O)CN
CACTVS 3.341NCC(=O)NCC(=O)NCC(O)=O
FormulaC6 H11 N3 O4
Nameglycylglycylglycine
ChEMBLCHEMBL54278
DrugBank
ZINCZINC000001678871
PDB chain3ty3 Chain A Residue 363 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ty3 Crystal structure of homoisocitrate dehydrogenase from Schizosaccharomyces pombe.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		A78 V79 S81 R97 E285 P286 H288
Binding residue
(residue number reindexed from 1)		A74 V75 S77 R93 E281 P282 H284
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y133 K196 D232 D256 D260
Catalytic site (residue number reindexed from 1) Y129 K192 D228 D252 D256
Enzyme Commision number 1.1.1.87: homoisocitrate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004449 isocitrate dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding
GO:0047046 homoisocitrate dehydrogenase activity
GO:0051287 NAD binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006102 isocitrate metabolic process
GO:0009085 lysine biosynthetic process
GO:0019878 lysine biosynthetic process via aminoadipic acid
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ty3, PDBe:3ty3, PDBj:3ty3
PDBsum3ty3
PubMed22105743
UniProtO14104|LYS12_SCHPO Homoisocitrate dehydrogenase (Gene Name=lys12)

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