Structure of PDB 3msu Chain B Binding Site BS01

Receptor Information
>3msu Chain B (length=426) Species: 263 (Francisella tularensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMEVMLMSKYATLKYADKNIEIELPVYSPSLGNDCIDVSSLVKHGIFTY
DPGFMSTAACESKITYIDGGKGVLLHRGYPIEEWTQKSNYRTLCYALIYG
ELPTDEQVKSFRQEIINKMPVCEHVKAAIAAMPQHTHPMSSLIAGVNVLA
AEHIHNGQKESQDEVAKNIVAKIATIAAMAYRHNHGKKFLEPKMEYGYAE
NFLYMMFADDESYKPDELHIKAMDTIFMLHADHEQNASTSTVRLSGSTGN
SPYAAIIAGITALWGPAHGGANEAVLKMLSEIGSTENIDKYIAKAKDKDD
PFRLMGFGHRVYKNTDPRATAMKKNCEEILAKLGHSDNPLLTVAKKLEEI
ALQDEFFIERKLFSNVDFYSGIILKAMGIPEDMFTAIFALARTSGWISQW
IEMVNDPAQKIGRPRQLYTGATNRNF
Ligand information
Ligand IDOAA
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKeyKHPXUQMNIQBQEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
FormulaC4 H3 O5
NameOXALOACETATE ION
ChEMBL
DrugBankDB02637
ZINC
PDB chain3msu Chain B Residue 436 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3msu Crystal Structure of Citrate Synthase from Francisella tularensis
Resolution1.843 Å
Binding residue
(original residue number in PDB)		Y88 R89 C92 R110 Y196
Binding residue
(residue number reindexed from 1)		Y90 R91 C94 R112 Y198
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S236 H266 H307 R316 D365
Catalytic site (residue number reindexed from 1) S238 H268 H309 R318 D367
Enzyme Commision number 2.3.3.16: citrate synthase (unknown stereospecificity).
Gene Ontology
Molecular Function
GO:0004108 citrate (Si)-synthase activity
GO:0016746 acyltransferase activity
GO:0036440 citrate synthase activity
GO:0046872 metal ion binding
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer
Biological Process
GO:0006099 tricarboxylic acid cycle
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:3msu, PDBe:3msu, PDBj:3msu
PDBsum3msu
PubMed
UniProtQ5NIJ6

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