Structure of PDB 2hmf Chain A Binding Site BS02

Receptor Information
>2hmf Chain A (length=464) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTVMKFGGTSVGSGERIRHVAKIVTKRKKEDDDVVVVVSAMSEVTNALVE
ISQQALDVRDIAKVGDFIKFIREKHYKAIEEAIKSEEIKEEVKKIIDSRI
EELEKVLIGVAYLGELTPKSRDYILSFGERLSSPILSGAIRDLGEKSIAL
EGGEAGIITDNNFGSARVKRLEVKERLLPLLKEGIIPVVTGFIGTTEEGY
ITTLGRGGSDYSAALIGYGLDADIIEIWTDVSGVYTTDPRLVPTARRIPK
LSYIEAMELAYFGAKVLHPRTIEPAMEKGIPILVKNTFEPESEGTLITND
MEMSDSIVKAISTIKNVALINIFGAGMVGVSGTAARIFKALGEEEVNVIL
ISQGSSETNISLVVSEEDVDKALKALKREFGDFLNNNLIRDVSVDKDVCV
ISVVGAGMRGAKGIAGKIFTAVSESGANIKMIAQGSSEVNISFVIDEKDL
LNCVRKLHEKFIEK
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain2hmf Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hmf The initial step in the archaeal aspartate biosynthetic pathway catalyzed by a monofunctional aspartokinase.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S40 T46 F193 R207 G208 S210
Binding residue
(residue number reindexed from 1)		S39 T45 F192 R206 G207 S209
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.2.4: aspartate kinase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004072 aspartate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009088 threonine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0009090 homoserine biosynthetic process
GO:0016310 phosphorylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hmf, PDBe:2hmf, PDBj:2hmf
PDBsum2hmf
PubMed17012784
UniProtQ57991|AK_METJA Probable aspartokinase (Gene Name=MJ0571)

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