Structure of PDB 1b0k Chain A Binding Site BS03

Receptor Information
>1b0k Chain A (length=753) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAKVAMSHFEPHEYIRYDLLEKNIDIVRKRLNRPLTLSEKIVYGHLDDPA
NQEIERGKTYLRLRPDRVAMQDATAQMAMLQFISSGLPKVAVPSTIHCDH
LIEAQLGGEKDLRRAKDINQEVYNFLATAGAKYGVGFWRPGSGIIHQIIL
ENYAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPK
VIGVKLTGSLSGWTSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCT
GMATICNMGAEIGATTSVFPYNHRMKKYLSKTGRADIANLADEFKDHLVP
DPGCHYDQVIEINLSELKPHINGPFTPDLAHPVAEVGSVAEKEGWPLDIR
VGLIGSCTNSSYEDMGRSAAVAKQALAHGLKCKSQFTITPGSEQIRATIE
RDGYAQVLRDVGGIVLANACGPCIGQWDRKDIKKGEKNTIVTSYNRNFTG
RNDANPETHAFVTSPEIVTALAIAGTLKFNPETDFLTGKDGKKFKLEAPD
ADELPRAEFDPGQDTYQHPPKDSSGQRVDVSPTSQRLQLLEPFDKWDGKD
LEDLQILIKVKGKCTTDHISAAGPWLKFRGHLDNISNNLLIGAINIENRK
ANSVRNAVTQEFGPVPDTARYYKQHGIRWVVIGDENYGEGASREHSALEP
RHLGGRAIITKSFARIHETNLKKQGLLPLTFADPADYNKIHPVDKLTIQG
LKDFAPGKPLKCIIKHPNGTQETILLNHTFNETQIEWFRAGSALNRMKEL
QQK
Ligand information
Ligand IDO
InChIInChI=1S/H2O/h1H2
InChIKeyXLYOFNOQVPJJNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		O
CACTVS 3.341[O]
FormulaO
NameOXYGEN ATOM
ChEMBLCHEMBL1098659
DrugBankDB09145
ZINC
PDB chain1b0k Chain A Residue 1100 [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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PDB1b0k The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D165 H167
Binding residue
(residue number reindexed from 1)		D164 H166
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D100 H101 D165 R447 A642 R644
Catalytic site (residue number reindexed from 1) D99 H100 D164 R446 A641 R643
Enzyme Commision number 4.2.1.3: aconitate hydratase.
Gene Ontology
Molecular Function
GO:0003994 aconitate hydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006099 tricarboxylic acid cycle
Cellular Component
GO:0005739 mitochondrion
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:1b0k, PDBe:1b0k, PDBj:1b0k
PDBsum1b0k
PubMed10631981
UniProtP16276|ACON_PIG Aconitate hydratase, mitochondrial (Gene Name=ACO2)

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