Structure of PDB 1d8c Chain A Binding Site BS01

Receptor Information
>1d8c Chain A (length=709) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTITQSRLRIDANFKRFVDEEVLPGTGLDAAAFWRNFDEIVHDLAPENRQ
LLAERDRIQAALDEWHRSNPGPVKDKAAYKSFLRELGYLVPQPERVTVET
TGIDSEITSQAGPQLVVPAMNARYALNAANARWGSLYDALYGSDIIPQEG
AMVSGYDPQRGEQVIAWVRRFLDESLPLENGSYQDVVAFKVVDKQLRIQL
KNGKETTLRTPAQFVGYRGDAAAPTCILLKNNGLHIELQIDANGRIGKDD
PAHINDVIVEAAISTILDCEDSVAAVDAEDKILLYRNLLGLMQGTLQRKL
NDDRHYTAADGSEISLHGRSLLFIRNVGHLMTIPVIWDSEGNEIPEGILD
GVMTGAIALYDLKVQKNSRTGSVYIVKPKMHGPQEVAFANKLFTRIETML
GMAPNTLKMGIMDEERRTSLNLRSCIAQARNRVAFINTGFLDRTGDEMHS
VMEAGPMLRKNQMKSTPWIKAYERNNVLSGLFCGLRGKAQIGKGMWAMPD
LMADMYSQKGDQLRAGANTAWVPSPTAATLHALHYHQTNVQSVQANIAQT
EFNAEFEPLLDDLLTIPVAENANWSAQEIQQELDNNVQGILGYVVRWVEQ
GIGCSKVPDIHNVALMEDRATLRISSQHIANWLRHGILTKEQVQASLENM
AKVVDQQNAGDPAYRPMAGNFANSCAFKAASDLIFLGVKQPNGYTEPLLH
AWRLREKES
Ligand information
Ligand IDSOR
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyFBPFZTCFMRRESA-JGWLITMVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO
ACDLabs 10.04OC(C(O)CO)C(O)C(O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(CO)O)O)O)O)O
FormulaC6 H14 O6
Namesorbitol;
D-sorbitol;
D-glucitol
ChEMBLCHEMBL1682
DrugBankDB01638
ZINCZINC000018279893
PDB chain1d8c Chain A Residue 4000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1d8c Crystal structure of Escherichia coli malate synthase G complexed with magnesium and glyoxylate at 2.0 A resolution: mechanistic implications.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q61 H462 V701 K702 Q703 P704
Binding residue
(residue number reindexed from 1)		Q59 H449 V688 K689 Q690 P691
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D270 E272 R338 E427 D455 D631
Catalytic site (residue number reindexed from 1) D268 E270 R325 E414 D442 D618
Enzyme Commision number 2.3.3.9: malate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004474 malate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
GO:0009436 glyoxylate catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1d8c, PDBe:1d8c, PDBj:1d8c
PDBsum1d8c
PubMed10715138
UniProtP37330|MASZ_ECOLI Malate synthase G (Gene Name=glcB)

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