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Structure of PDB 3c20 Chain A Binding Site BS01

Receptor Information >3c20 Chain A (length=465) 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 ISQGSSETNISLVVSEEDVDKALKALKREFGDSFLNNNLIRDVSVDKDVC VISVVGAGMRGAKGIAGKIFTAVSESGANIKMIAQGSSEVNISFVIDEKD LLNCVRKLHEKFIEK

Ligand information Ligand ID ASP InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 InChIKey CKLJMWTZIZZHCS-REOHCLBHSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.0 C(C(C(=O)O)N)C(=O)O OpenEye OEToolkits 1.7.0 C([C@@H](C(=O)O)N)C(=O)O CACTVS 3.370 N[CH](CC(O)=O)C(O)=O CACTVS 3.370 N[C@@H](CC(O)=O)C(O)=O ACDLabs 12.01 O=C(O)CC(N)C(=O)O Formula C4 H7 N O4 Name ASPARTIC ACID ChEMBL CHEMBL274323 DrugBank DB00128 ZINC ZINC000000895032 PDB chain 3c20 Chain A Residue 474 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 3c20 The Structural Basis for Allosteric Inhibition of a Threonine-sensitive Aspartokinase. Resolution 2.7 Å Binding residue (original residue number in PDB) S40 T46 E130 F193 R207 G208 S210 Binding residue (residue number reindexed from 1) S39 T45 E129 F192 R206 G207 S209 Annotation score 5

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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